nargs= 1 argi=dmft2.def 12) Finished k-point number 13 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 47) Finished k-point number 48 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 17) Finished k-point number 18 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 55) Finished k-point number 56 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 67) Finished k-point number 68 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 75) Finished k-point number 76 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 16) Finished k-point number 17 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 92) Finished k-point number 93 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 46) Finished k-point number 47 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 91) Finished k-point number 92 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930243903243907 0.926680292079003 7) Finished k-point number 8 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 15) Finished k-point number 16 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 20 25) Finished k-point number 26 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 38) Finished k-point number 39 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 59) Finished k-point number 60 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 78) Finished k-point number 79 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0050621338167 Density= 15.0997184761273 16.0000000000000 EF 13.2771759659303 Density= 15.8233376576235 16.0000000000000 EF 13.5492897980438 Density= 16.3891426076327 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.99585452 0.97585452 0.389143 -0.176662 1 0.98585452 0.97585454 0.122854 -0.176662 2 0.98159297 0.97585454 0.335314E-03 -0.176662 3 0.98158163 0.98159297 -0.503566E-07 0.335314E-03 4 0.98158163 0.98158163 0.397549E-11 -0.503566E-07 Absolute convergence of |F(X)|. Difference in EF too large to mix 0.350035143828978 cutoff= 2.9999999E-02 Difference in EF= 0.3500351438 EF set to : 13.3550972776 new EF (no-mixing): 13.3550972776 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001234 tlogG= -0.001281 logG= -0.002514 Density= 0.018679 ETOT(band)= 0.001009 trlgG= -0.001811 logG= -0.002514 TDE= -0.017632 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002460 tlogG= -0.002466 logG= -0.004926 Density= 0.037303 ETOT(band)= 0.002107 trlgG= -0.003435 logG= -0.004926 TDE= -0.035125 logGD-logG0= -0.009845 tlogG= -0.009781 logG= -0.019626 Density= 0.149345 ETOT(band)= 0.008341 trlgG= -0.013738 logG= -0.019626 TDE= -0.140706 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004918 tlogG= -0.004745 logG= -0.009664 Density= 0.074647 ETOT(band)= 0.004251 trlgG= -0.006640 logG= -0.009664 TDE= -0.070249 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002465 tlogG= -0.002143 logG= -0.004608 Density= 0.036772 ETOT(band)= 0.002052 trlgG= -0.003215 logG= -0.004608 TDE= -0.034702 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001601 tlogG= -0.001307 logG= -0.002908 Density= 0.022519 ETOT(band)= -0.000322 trlgG= -0.003590 logG= -0.002908 TDE= -0.022786 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004939 tlogG= -0.004321 logG= -0.009260 Density= 0.074229 ETOT(band)= 0.004200 trlgG= -0.006348 logG= -0.009260 TDE= -0.069950 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009867 tlogG= -0.008316 logG= -0.018183 logGD-logG0= -0.009841 tlogG= -0.006945 logG= -0.016787 Density= 0.145473 ETOT(band)= 0.007102 trlgG= -0.012224 logG= -0.016787 TDE= -0.138231 Density= 0.148145 ETOT(band)= 0.008644 trlgG= -0.012107 logG= -0.018183 TDE= -0.139340 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009875 tlogG= -0.008922 logG= -0.018797 Density= 0.148219 ETOT(band)= 0.008598 trlgG= -0.012780 logG= -0.018797 TDE= -0.139472 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009883 tlogG= -0.009054 logG= -0.018937 Density= 0.148771 ETOT(band)= 0.008700 trlgG= -0.012778 logG= -0.018937 TDE= -0.139872 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009832 tlogG= -0.008060 logG= -0.017893 Density= 0.147695 ETOT(band)= 0.009248 trlgG= -0.011190 logG= -0.017893 TDE= -0.138272 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019733 tlogG= -0.016408 logG= -0.036141 Density= 0.296435 ETOT(band)= 0.017202 trlgG= -0.024077 logG= -0.036141 TDE= -0.278911 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019676 tlogG= -0.015297 logG= -0.034972 Density= 0.295527 ETOT(band)= 0.018381 trlgG= -0.021586 logG= -0.034972 TDE= -0.276698 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004905 tlogG= -0.003698 logG= -0.008603 logGD-logG0= -0.009853 tlogG= -0.006902 logG= -0.016755 Density= 0.146335 ETOT(band)= 0.008060 trlgG= -0.011227 logG= -0.016755 TDE= -0.138113 Density= 0.073980 ETOT(band)= 0.004492 trlgG= -0.005342 logG= -0.008603 TDE= -0.069357 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003197 tlogG= -0.002512 logG= -0.005708 Density= 0.044832 ETOT(band)= -0.000678 trlgG= -0.007146 logG= -0.005708 TDE= -0.045444 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009597 tlogG= -0.007425 logG= -0.017022 Density= 0.135340 ETOT(band)= -0.001492 trlgG= -0.020816 logG= -0.017022 TDE= -0.136641 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009588 tlogG= -0.007339 logG= -0.016927 Density= 0.135171 ETOT(band)= -0.001477 trlgG= -0.020721 logG= -0.016927 TDE= -0.136475 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003175 tlogG= -0.002541 logG= -0.005716 Density= 0.045132 ETOT(band)= -0.000198 trlgG= -0.006599 logG= -0.005716 TDE= -0.045183 logGD-logG0= -0.003141 tlogG= -0.002602 logG= -0.005743 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.045487 ETOT(band)= 0.000393 trlgG= -0.005949 logG= -0.005743 TDE= -0.044856 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009571 tlogG= -0.007269 logG= -0.016840 Density= 0.135248 ETOT(band)= -0.001053 trlgG= -0.020177 logG= -0.016840 TDE= -0.136093 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009501 tlogG= -0.007349 logG= -0.016850 Density= 0.136099 ETOT(band)= 0.000445 trlgG= -0.018434 logG= -0.016850 TDE= -0.135176 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009946 tlogG= -0.006644 logG= -0.016590 Density= 0.144139 ETOT(band)= 0.006416 trlgG= -0.012562 logG= -0.016590 TDE= -0.137457 logGD-logG0= -0.009586 tlogG= -0.006866 logG= -0.016452 Density= 0.137804 ETOT(band)= 0.001570 trlgG= -0.017033 logG= -0.016452 TDE= -0.135848 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009863 tlogG= -0.007825 logG= -0.017687 Density= 0.147214 ETOT(band)= 0.009593 trlgG= -0.010643 logG= -0.017687 TDE= -0.137458 logGD-logG0= -0.009920 tlogG= -0.007408 logG= -0.017328 Density= 0.146375 ETOT(band)= 0.008469 trlgG= -0.011412 logG= -0.017328 TDE= -0.137764 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009570 tlogG= -0.006541 logG= -0.016110 logGD-logG0= -0.009545 tlogG= -0.007304 logG= -0.016850 Density= 0.135518 ETOT(band)= -0.000598 trlgG= -0.019646 logG= -0.016850 TDE= -0.135818 Density= 0.136721 ETOT(band)= 0.000611 trlgG= -0.017824 logG= -0.016110 TDE= -0.135916 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009615 tlogG= -0.006650 logG= -0.016265 Density= 0.137083 ETOT(band)= 0.000537 trlgG= -0.018129 logG= -0.016265 TDE= -0.136422 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009607 tlogG= -0.006674 logG= -0.016281 Density= 0.137100 ETOT(band)= 0.000483 trlgG= -0.018172 logG= -0.016281 TDE= -0.136466 logGD-logG0= -0.009717 tlogG= -0.006451 logG= -0.016168 Density= 0.140998 ETOT(band)= 0.004544 trlgG= -0.014021 logG= -0.016168 TDE= -0.136255 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009640 tlogG= -0.005645 logG= -0.015285 Density= 0.136856 ETOT(band)= 0.000857 trlgG= -0.016797 logG= -0.015285 TDE= -0.135847 logGD-logG0= -0.009669 tlogG= -0.005970 logG= -0.015640 Density= 0.138129 ETOT(band)= 0.001583 trlgG= -0.016399 logG= -0.015640 TDE= -0.136344 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009522 tlogG= -0.006875 logG= -0.016396 logGD-logG0= -0.009813 tlogG= -0.006742 logG= -0.016555 Density= 0.144164 ETOT(band)= 0.007933 trlgG= -0.010982 logG= -0.016555 TDE= -0.135935 Density= 0.138627 ETOT(band)= 0.003094 trlgG= -0.015607 logG= -0.016396 TDE= -0.135284 logGD-logG0= -0.004858 tlogG= -0.003071 logG= -0.007929 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.066961 ETOT(band)= -0.001584 trlgG= -0.010644 logG= -0.007929 TDE= -0.068442 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004843 tlogG= -0.002557 logG= -0.007400 Density= 0.065593 ETOT(band)= -0.002196 trlgG= -0.010642 logG= -0.007400 TDE= -0.067627 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009599 tlogG= -0.006863 logG= -0.016462 Density= 0.136529 ETOT(band)= -0.000147 trlgG= -0.019008 logG= -0.016462 TDE= -0.136559 logGD-logG0= -0.009684 tlogG= -0.006187 logG= -0.015871 Density= 0.138890 ETOT(band)= 0.002291 trlgG= -0.015864 logG= -0.015871 TDE= -0.136325 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009716 tlogG= -0.005996 logG= -0.015713 logGD-logG0= -0.009686 tlogG= -0.005573 logG= -0.015259 Density= 0.132693 ETOT(band)= -0.003578 trlgG= -0.020965 logG= -0.015259 TDE= -0.135956 Density= 0.135558 ETOT(band)= -0.001232 trlgG= -0.019183 logG= -0.015713 TDE= -0.136532 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019401 tlogG= -0.010219 logG= -0.029620 Density= 0.268868 ETOT(band)= -0.002617 trlgG= -0.036755 logG= -0.029620 TDE= -0.271051 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009913 tlogG= -0.006768 logG= -0.016682 Density= 0.145248 ETOT(band)= 0.007012 trlgG= -0.012194 logG= -0.016682 TDE= -0.138085 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019316 tlogG= -0.012070 logG= -0.031386 Density= 0.277752 ETOT(band)= 0.004892 trlgG= -0.031252 logG= -0.031386 TDE= -0.272502 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019647 tlogG= -0.012275 logG= -0.031922 Density= 0.284065 ETOT(band)= 0.010366 trlgG= -0.026378 logG= -0.031922 TDE= -0.273289 logGD-logG0= -0.019341 tlogG= -0.012231 logG= -0.031572 Density= 0.278213 ETOT(band)= 0.005039 trlgG= -0.031319 logG= -0.031572 TDE= -0.272836 logGD-logG0= -0.019840 tlogG= -0.013165 logG= -0.033006 Density= 0.289342 ETOT(band)= 0.013397 trlgG= -0.024526 logG= -0.033006 TDE= -0.275533 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019176 tlogG= -0.013720 logG= -0.032896 Density= 0.273204 ETOT(band)= 0.000324 trlgG= -0.037239 logG= -0.032896 TDE= -0.272515 logGD-logG0= -0.019194 tlogG= -0.012526 logG= -0.031719 Density= 0.279253 ETOT(band)= 0.007774 trlgG= -0.028876 logG= -0.031719 TDE= -0.271266 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019291 tlogG= -0.012388 logG= -0.031679 Density= 0.277911 ETOT(band)= 0.005324 trlgG= -0.030951 logG= -0.031679 TDE= -0.272064 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019403 tlogG= -0.010871 logG= -0.030275 logGD-logG0= -0.019449 tlogG= -0.011527 logG= -0.030977 Density= 0.277311 ETOT(band)= 0.004050 trlgG= -0.031527 logG= -0.030977 TDE= -0.272753 Density= 0.273126 ETOT(band)= 0.000613 trlgG= -0.034365 logG= -0.030275 TDE= -0.272187 logGD-logG0= -0.019798 tlogG= -0.013299 logG= -0.033097 Density= 0.290282 ETOT(band)= 0.016607 trlgG= -0.021252 logG= -0.033097 TDE= -0.273090 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000392 tlogG= 0.008837 logG= 0.008445 Density= 0.005660 ETOT(band)= 0.000033 trlgG= 0.008395 logG= 0.008445 TDE= -0.005605 logGD-logG0= -0.019192 tlogG= -0.011755 logG= -0.030946 Density= 0.276092 ETOT(band)= 0.004564 trlgG= -0.030969 logG= -0.030946 TDE= -0.271029 logGD-logG0= -0.019079 tlogG= -0.013778 logG= -0.032857 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 Density= 0.273891 ETOT(band)= 0.002207 trlgG= -0.034925 logG= -0.032857 TDE= -0.270914 logGD-logG0= -0.019460 tlogG= -0.011609 logG= -0.031069 Density= 0.268579 ETOT(band)= -0.005005 trlgG= -0.040575 logG= -0.031069 TDE= -0.273138 logGD-logG0= -0.009778 tlogG= -0.004858 logG= -0.014636 logGD-logG0= -0.009700 tlogG= -0.005400 logG= -0.015101 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.135375 ETOT(band)= -0.000483 trlgG= -0.017600 logG= -0.014636 TDE= -0.135845 Density= 0.132402 ETOT(band)= -0.003827 trlgG= -0.021001 logG= -0.015101 TDE= -0.135863 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019683 tlogG= -0.011290 logG= -0.030973 Density= 0.282596 ETOT(band)= 0.008971 trlgG= -0.026855 logG= -0.030973 TDE= -0.273273 logGD-logG0= -0.019408 tlogG= -0.010774 logG= -0.030182 Density= 0.280110 ETOT(band)= 0.008450 trlgG= -0.026853 logG= -0.030182 TDE= -0.271621 logGD-logG0= -0.019522 tlogG= -0.010681 logG= -0.030203 Density= 0.281585 ETOT(band)= 0.009075 trlgG= -0.025774 logG= -0.030203 TDE= -0.271970 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009900 tlogG= -0.006252 logG= -0.016152 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.145022 ETOT(band)= 0.007945 trlgG= -0.010621 logG= -0.016152 TDE= -0.136819 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019483 tlogG= -0.010645 logG= -0.030129 Density= 0.275031 ETOT(band)= 0.001855 trlgG= -0.032819 logG= -0.030129 TDE= -0.272656 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019461 tlogG= -0.010120 logG= -0.029580 Density= 0.272003 ETOT(band)= -0.000369 trlgG= -0.034465 logG= -0.029580 TDE= -0.271878 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009691 tlogG= -0.005151 logG= -0.014842 Density= 0.136169 ETOT(band)= -0.000170 trlgG= -0.017196 logG= -0.014842 TDE= -0.136014 logGD-logG0= -0.019814 tlogG= -0.012025 logG= -0.031839 Density= 0.283882 ETOT(band)= 0.008905 trlgG= -0.027686 logG= -0.031839 TDE= -0.274500 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004869 tlogG= -0.002682 logG= -0.007551 Density= 0.068553 ETOT(band)= 0.000245 trlgG= -0.008450 logG= -0.007551 TDE= -0.068190 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009801 tlogG= -0.005324 logG= -0.015124 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.141299 ETOT(band)= 0.004776 trlgG= -0.012728 logG= -0.015124 TDE= -0.136300 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009723 tlogG= -0.005303 logG= -0.015027 Density= 0.137465 ETOT(band)= 0.000957 trlgG= -0.016440 logG= -0.015027 TDE= -0.136346 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009716 tlogG= -0.005478 logG= -0.015195 Density= 0.135563 ETOT(band)= -0.001051 trlgG= -0.018366 logG= -0.015195 TDE= -0.136237 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009439 tlogG= -0.008869 logG= -0.018307 Density= 0.138780 ETOT(band)= 0.003617 trlgG= -0.016637 logG= -0.018307 TDE= -0.134553 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002362 tlogG= -0.002361 logG= -0.004724 Density= 0.034737 ETOT(band)= 0.000938 trlgG= -0.004296 logG= -0.004724 TDE= -0.033669 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009492 tlogG= -0.007780 logG= -0.017272 Density= 0.137743 ETOT(band)= 0.002634 trlgG= -0.016622 logG= -0.017272 TDE= -0.134556 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002473 tlogG= -0.001937 logG= -0.004411 Density= 0.036767 ETOT(band)= 0.002559 trlgG= -0.002460 logG= -0.004411 TDE= -0.034139 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002420 tlogG= -0.002011 logG= -0.004431 Density= 0.035900 ETOT(band)= 0.001993 trlgG= -0.002996 logG= -0.004431 TDE= -0.033804 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009472 tlogG= -0.008019 logG= -0.017491 Density= 0.138069 ETOT(band)= 0.003069 trlgG= -0.016400 logG= -0.017491 TDE= -0.134435 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009548 tlogG= -0.007400 logG= -0.016948 Density= 0.136385 ETOT(band)= 0.001044 trlgG= -0.017884 logG= -0.016948 TDE= -0.134809 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009575 tlogG= -0.007442 logG= -0.017017 Density= 0.141201 ETOT(band)= 0.005952 trlgG= -0.013374 logG= -0.017017 TDE= -0.134957 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009853 tlogG= -0.007381 logG= -0.017234 Density= 0.145247 ETOT(band)= 0.009291 trlgG= -0.010232 logG= -0.017234 TDE= -0.135570 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009517 tlogG= -0.008538 logG= -0.018055 Density= 0.140806 ETOT(band)= 0.005522 trlgG= -0.014689 logG= -0.018055 TDE= -0.134846 logGD-logG0= -0.004736 tlogG= -0.004058 logG= -0.008794 Density= 0.069721 ETOT(band)= 0.002205 trlgG= -0.007633 logG= -0.008794 TDE= -0.067276 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009605 tlogG= -0.006373 logG= -0.015978 Density= 0.136388 ETOT(band)= 0.001194 trlgG= -0.017032 logG= -0.015978 TDE= -0.134930 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009704 tlogG= -0.005357 logG= -0.015061 Density= 0.134862 ETOT(band)= -0.000312 trlgG= -0.017670 logG= -0.015061 TDE= -0.134986 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009543 tlogG= -0.006948 logG= -0.016491 Density= 0.138909 ETOT(band)= 0.004021 trlgG= -0.014740 logG= -0.016491 TDE= -0.134600 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004830 tlogG= -0.002856 logG= -0.007686 Density= 0.068640 ETOT(band)= 0.001268 trlgG= -0.007661 logG= -0.007686 TDE= -0.067351 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018995 tlogG= -0.015930 logG= -0.034925 Density= 0.279901 ETOT(band)= 0.009667 trlgG= -0.029562 logG= -0.034925 TDE= -0.269384 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019413 tlogG= -0.013524 logG= -0.032937 logGD-logG0= -0.019104 tlogG= -0.014064 logG= -0.033168 Density= 0.286230 ETOT(band)= 0.015178 trlgG= -0.022669 logG= -0.032937 TDE= -0.270691 Density= 0.276325 ETOT(band)= 0.006109 trlgG= -0.031551 logG= -0.033168 TDE= -0.269619 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009438 tlogG= -0.009112 logG= -0.018550 Density= 0.139055 ETOT(band)= 0.003881 trlgG= -0.016672 logG= -0.018550 TDE= -0.134616 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009786 tlogG= -0.004971 logG= -0.014757 Density= 0.134128 ETOT(band)= -0.000974 trlgG= -0.018209 logG= -0.014757 TDE= -0.135110 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009635 tlogG= -0.007676 logG= -0.017311 logGD-logG0= -0.009924 tlogG= -0.007006 logG= -0.016930 Density= 0.142885 ETOT(band)= 0.007451 trlgG= -0.012146 logG= -0.017311 TDE= -0.135088 Density= 0.145649 ETOT(band)= 0.009286 trlgG= -0.010066 logG= -0.016930 TDE= -0.136102 logGD-logG0= -0.009819 tlogG= -0.005854 logG= -0.015674 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.143315 ETOT(band)= 0.007674 trlgG= -0.010620 logG= -0.015674 TDE= -0.135622 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019274 tlogG= -0.011844 logG= -0.031118 Density= 0.277126 ETOT(band)= 0.007048 trlgG= -0.029088 logG= -0.031118 TDE= -0.269991 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009591 tlogG= -0.006777 logG= -0.016368 Density= 0.141013 ETOT(band)= 0.006006 trlgG= -0.012777 logG= -0.016368 TDE= -0.134824 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003141 tlogG= 0.070820 logG= 0.067680 Density= 0.045434 ETOT(band)= 0.000420 trlgG= 0.067433 logG= 0.067680 TDE= -0.044844 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003166 tlogG= 0.071493 logG= 0.068327 Density= 0.045986 ETOT(band)= 0.000961 trlgG= 0.068665 logG= 0.068327 TDE= -0.044802 logGD-logG0= -0.002352 tlogG= 0.053136 logG= 0.050784 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Density= 0.034156 ETOT(band)= 0.000381 trlgG= 0.050674 logG= 0.050784 TDE= -0.033637 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004710 tlogG= 0.106472 logG= 0.101762 Density= 0.068619 ETOT(band)= 0.001055 trlgG= 0.101849 logG= 0.101762 TDE= -0.067269 logGD-logG0= -0.009436 tlogG= 0.213294 logG= 0.203859 Density= 0.137651 ETOT(band)= 0.002554 trlgG= 0.204433 logG= 0.203859 TDE= -0.134540 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009469 tlogG= 0.213987 logG= 0.204518 Density= 0.138309 ETOT(band)= 0.003223 trlgG= 0.205791 logG= 0.204518 TDE= -0.134489 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003147 tlogG= 0.071095 logG= 0.067949 Density= 0.045879 ETOT(band)= 0.000830 trlgG= 0.068145 logG= 0.067949 TDE= -0.044838 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 5.33690055445131 eV TrLogG= -12.3229189821543 eV Ratio to renormalize= 0.999999999731 rho-rho_expected= 0.000000004300 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 28) Finished k-point number 29 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 25) Finished k-point number 26 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 40) Finished k-point number 41 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 59) Finished k-point number 60 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 41) Finished k-point number 42 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 83) Finished k-point number 84 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 77) Finished k-point number 78 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 73) Finished k-point number 74 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 96) Finished k-point number 97 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930610610623815 0.927141388011199 16) Finished k-point number 17 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 9) Finished k-point number 10 1 with #bands= 26 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.3550972776457 Density= 16.0514715457070 16.0000000000000 EF 13.0829834455321 Density= 15.3917075557310 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98158163 0.96158163 0.514715E-01 -0.608292 1 0.98002133 0.96158163 0.640127E-02 -0.608292 2 0.97980203 0.98002133 -0.931247E-05 0.640127E-02 3 0.97980235 0.97980203 0.139467E-07 -0.931247E-05 4 0.97980235 0.97980203 0.213163E-13 -0.931247E-05 Absolute convergence of |F(X)|. Difference in EF= -0.0242083791 EF set to : 13.3308888985 new EF (no-mixing): 13.3308888985 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001233 tlogG= -0.001279 logG= -0.002511 Density= 0.018704 ETOT(band)= 0.001006 trlgG= -0.001808 logG= -0.002511 TDE= -0.017622 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009837 tlogG= -0.009766 logG= -0.019603 Density= 0.149536 ETOT(band)= 0.008314 trlgG= -0.013714 logG= -0.019603 TDE= -0.140627 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002458 tlogG= -0.002463 logG= -0.004920 Density= 0.037352 ETOT(band)= 0.002102 trlgG= -0.003428 logG= -0.004920 TDE= -0.035106 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004914 tlogG= -0.004736 logG= -0.009650 Density= 0.074742 ETOT(band)= 0.004236 trlgG= -0.006627 logG= -0.009650 TDE= -0.070210 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002463 tlogG= -0.002140 logG= -0.004603 Density= 0.036834 ETOT(band)= 0.002062 trlgG= -0.003195 logG= -0.004603 TDE= -0.034683 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001600 tlogG= -0.001309 logG= -0.002909 Density= 0.022536 ETOT(band)= -0.000343 trlgG= -0.003608 logG= -0.002909 TDE= -0.022779 logGD-logG0= -0.009867 tlogG= -0.008908 logG= -0.018774 Density= 0.148440 ETOT(band)= 0.008603 trlgG= -0.012728 logG= -0.018774 TDE= -0.139396 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009860 tlogG= -0.008302 logG= -0.018162 Density= 0.148357 ETOT(band)= 0.008640 trlgG= -0.012067 logG= -0.018162 TDE= -0.139265 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004934 tlogG= -0.004314 logG= -0.009249 Density= 0.074336 ETOT(band)= 0.004199 trlgG= -0.006326 logG= -0.009249 TDE= -0.069912 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009836 tlogG= -0.006930 logG= -0.016766 Density= 0.145550 ETOT(band)= 0.006967 trlgG= -0.012317 logG= -0.016766 TDE= -0.138161 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009875 tlogG= -0.009040 logG= -0.018915 Density= 0.148978 ETOT(band)= 0.008689 trlgG= -0.012741 logG= -0.018915 TDE= -0.139795 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019718 tlogG= -0.016380 logG= -0.036098 Density= 0.296860 ETOT(band)= 0.017195 trlgG= -0.023995 logG= -0.036098 TDE= -0.278760 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009826 tlogG= -0.008046 logG= -0.017872 Density= 0.147903 ETOT(band)= 0.009240 trlgG= -0.011156 logG= -0.017872 TDE= -0.138200 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019663 tlogG= -0.015268 logG= -0.034931 Density= 0.295897 ETOT(band)= 0.018318 trlgG= -0.021566 logG= -0.034931 TDE= -0.276555 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004902 tlogG= -0.003691 logG= -0.008593 Density= 0.074067 ETOT(band)= 0.004471 trlgG= -0.005342 logG= -0.008593 TDE= -0.069321 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009847 tlogG= -0.006888 logG= -0.016735 Density= 0.146498 ETOT(band)= 0.008010 trlgG= -0.011238 logG= -0.016735 TDE= -0.138042 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003195 tlogG= -0.002514 logG= -0.005709 Density= 0.044868 ETOT(band)= -0.000716 trlgG= -0.007178 logG= -0.005709 TDE= -0.045430 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003174 tlogG= -0.002544 logG= -0.005719 Density= 0.045160 ETOT(band)= -0.000245 trlgG= -0.006640 logG= -0.005719 TDE= -0.045170 logGD-logG0= -0.009593 tlogG= -0.007430 logG= -0.017023 Density= 0.135427 ETOT(band)= -0.001629 trlgG= -0.020927 logG= -0.017023 TDE= -0.136596 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003142 tlogG= -0.002604 logG= -0.005746 Density= 0.045507 ETOT(band)= 0.000337 trlgG= -0.006001 logG= -0.005746 TDE= -0.044844 logGD-logG0= -0.009568 tlogG= -0.007278 logG= -0.016846 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.135336 ETOT(band)= -0.001187 trlgG= -0.020293 logG= -0.016846 TDE= -0.136050 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009586 tlogG= -0.007347 logG= -0.016933 Density= 0.135263 ETOT(band)= -0.001607 trlgG= -0.020832 logG= -0.016933 TDE= -0.136430 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009913 tlogG= -0.007393 logG= -0.017306 Density= 0.146535 ETOT(band)= 0.008414 trlgG= -0.011424 logG= -0.017306 TDE= -0.137694 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009499 tlogG= -0.007356 logG= -0.016856 Density= 0.136166 ETOT(band)= 0.000287 trlgG= -0.018576 logG= -0.016856 TDE= -0.135136 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009602 tlogG= -0.006675 logG= -0.016277 Density= 0.137132 ETOT(band)= 0.000298 trlgG= -0.018328 logG= -0.016277 TDE= -0.136414 logGD-logG0= -0.009543 tlogG= -0.007311 logG= -0.016854 Density= 0.135601 ETOT(band)= -0.000739 trlgG= -0.019768 logG= -0.016854 TDE= -0.135776 logGD-logG0= -0.009568 tlogG= -0.006544 logG= -0.016112 Density= 0.136768 ETOT(band)= 0.000440 trlgG= -0.017973 logG= -0.016112 TDE= -0.135867 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009856 tlogG= -0.007810 logG= -0.017666 Density= 0.147395 ETOT(band)= 0.009557 trlgG= -0.010637 logG= -0.017666 TDE= -0.137389 logGD-logG0= -0.009940 tlogG= -0.006630 logG= -0.016570 Density= 0.144090 ETOT(band)= 0.006155 trlgG= -0.012782 logG= -0.016570 TDE= -0.137391 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009610 tlogG= -0.006650 logG= -0.016260 Density= 0.137112 ETOT(band)= 0.000350 trlgG= -0.018288 logG= -0.016260 TDE= -0.136370 logGD-logG0= -0.009582 tlogG= -0.006867 logG= -0.016449 Density= 0.137817 ETOT(band)= 0.001363 trlgG= -0.017214 logG= -0.016449 TDE= -0.135799 logGD-logG0= -0.009808 tlogG= -0.006733 logG= -0.016541 logGD-logG0= -0.009712 tlogG= -0.006446 logG= -0.016157 Density= 0.140915 ETOT(band)= 0.004252 trlgG= -0.014282 logG= -0.016157 TDE= -0.136194 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.144139 ETOT(band)= 0.007695 trlgG= -0.011185 logG= -0.016541 TDE= -0.135872 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009521 tlogG= -0.006875 logG= -0.016397 Density= 0.138615 ETOT(band)= 0.002866 trlgG= -0.015814 logG= -0.016397 TDE= -0.135232 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009683 tlogG= -0.005583 logG= -0.015266 Density= 0.132788 ETOT(band)= -0.003700 trlgG= -0.021077 logG= -0.015266 TDE= -0.135916 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004856 tlogG= -0.003076 logG= -0.007931 Density= 0.066995 ETOT(band)= -0.001656 trlgG= -0.010707 logG= -0.007931 TDE= -0.068418 logGD-logG0= -0.009638 tlogG= -0.005650 logG= -0.015288 Density= 0.136852 ETOT(band)= 0.000642 trlgG= -0.016995 logG= -0.015288 TDE= -0.135795 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009712 tlogG= -0.006003 logG= -0.015715 logGD-logG0= -0.004842 tlogG= -0.002560 logG= -0.007402 Density= 0.135506 ETOT(band)= -0.001495 trlgG= -0.019428 logG= -0.015715 TDE= -0.136482 Density= 0.065588 ETOT(band)= -0.002307 trlgG= -0.010744 logG= -0.007402 TDE= -0.067606 logGD-logG0= -0.009665 tlogG= -0.005971 logG= -0.015636 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138086 ETOT(band)= 0.001328 trlgG= -0.016628 logG= -0.015636 TDE= -0.136290 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009595 tlogG= -0.006866 logG= -0.016461 Density= 0.136576 ETOT(band)= -0.000317 trlgG= -0.019152 logG= -0.016461 TDE= -0.136508 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009679 tlogG= -0.006187 logG= -0.015867 Density= 0.138826 ETOT(band)= 0.002017 trlgG= -0.016115 logG= -0.015867 TDE= -0.136270 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019308 tlogG= -0.012072 logG= -0.031380 Density= 0.277726 ETOT(band)= 0.004440 trlgG= -0.031655 logG= -0.031380 TDE= -0.272391 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019169 tlogG= -0.013729 logG= -0.032898 Density= 0.273300 ETOT(band)= -0.000017 trlgG= -0.037534 logG= -0.032898 TDE= -0.272416 logGD-logG0= -0.019333 tlogG= -0.012231 logG= -0.031564 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278179 ETOT(band)= 0.004581 trlgG= -0.031727 logG= -0.031564 TDE= -0.272723 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019834 tlogG= -0.013137 logG= -0.032971 logGD-logG0= -0.009908 tlogG= -0.006755 logG= -0.016663 Density= 0.289278 ETOT(band)= 0.012909 trlgG= -0.024936 logG= -0.032971 TDE= -0.275399 Density= 0.145268 ETOT(band)= 0.006819 trlgG= -0.012346 logG= -0.016663 TDE= -0.138017 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019391 tlogG= -0.010873 logG= -0.030264 Density= 0.272937 ETOT(band)= 0.000003 trlgG= -0.034919 logG= -0.030264 TDE= -0.272080 logGD-logG0= -0.019190 tlogG= -0.011754 logG= -0.030943 Density= 0.276096 ETOT(band)= 0.004143 trlgG= -0.031351 logG= -0.030943 TDE= -0.270927 logGD-logG0= -0.019631 tlogG= -0.012261 logG= -0.031892 Density= 0.283869 ETOT(band)= 0.009756 trlgG= -0.026918 logG= -0.031892 TDE= -0.273162 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019190 tlogG= -0.012519 logG= -0.031710 logGD-logG0= -0.019438 tlogG= -0.011531 logG= -0.030969 Density= 0.277053 ETOT(band)= 0.003378 trlgG= -0.032150 logG= -0.030969 TDE= -0.272639 Density= 0.279146 ETOT(band)= 0.007247 trlgG= -0.029351 logG= -0.031710 TDE= -0.271149 logGD-logG0= -0.019284 tlogG= -0.012384 logG= -0.031668 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.277861 ETOT(band)= 0.004849 trlgG= -0.031376 logG= -0.031668 TDE= -0.271957 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019074 tlogG= -0.013783 logG= -0.032858 Density= 0.273977 ETOT(band)= 0.001849 trlgG= -0.035237 logG= -0.032858 TDE= -0.270822 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019393 tlogG= -0.010217 logG= -0.029610 Density= 0.268519 ETOT(band)= -0.003382 trlgG= -0.037467 logG= -0.029610 TDE= -0.270952 logGD-logG0= -0.009699 tlogG= -0.005408 logG= -0.015107 Density= 0.132471 ETOT(band)= -0.003973 trlgG= -0.021137 logG= -0.015107 TDE= -0.135825 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019451 tlogG= -0.011624 logG= -0.031075 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019792 tlogG= -0.013268 logG= -0.033059 Density= 0.268607 ETOT(band)= -0.005401 trlgG= -0.040934 logG= -0.031075 TDE= -0.273041 logGD-logG0= -0.009781 tlogG= -0.004854 logG= -0.014635 logGD-logG0= -0.000392 tlogG= 0.008820 logG= 0.008428 Density= 0.005663 ETOT(band)= 0.000027 trlgG= 0.008373 logG= 0.008428 TDE= -0.005604 Density= 0.290367 ETOT(band)= 0.016266 trlgG= -0.021518 logG= -0.033059 TDE= -0.272961 logGD-logG0= -0.019514 tlogG= -0.010669 logG= -0.030183 Density= 0.281433 ETOT(band)= 0.008501 trlgG= -0.026292 logG= -0.030183 TDE= -0.271858 Density= 0.134988 ETOT(band)= -0.001064 trlgG= -0.018160 logG= -0.014635 TDE= -0.135786 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019475 tlogG= -0.010649 logG= -0.030124 Density= 0.274742 ETOT(band)= 0.001153 trlgG= -0.033478 logG= -0.030124 TDE= -0.272546 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019669 tlogG= -0.011286 logG= -0.030955 Density= 0.282318 ETOT(band)= 0.008283 trlgG= -0.027485 logG= -0.030955 TDE= -0.273145 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019402 tlogG= -0.010760 logG= -0.030162 Density= 0.279808 ETOT(band)= 0.007744 trlgG= -0.027503 logG= -0.030162 TDE= -0.271498 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019793 tlogG= -0.012019 logG= -0.031812 Density= 0.283630 ETOT(band)= 0.008238 trlgG= -0.028284 logG= -0.031812 TDE= -0.274373 logGD-logG0= -0.009898 tlogG= -0.006236 logG= -0.016133 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.145041 ETOT(band)= 0.007753 trlgG= -0.010775 logG= -0.016133 TDE= -0.136753 logGD-logG0= -0.009795 tlogG= -0.005316 logG= -0.015111 Density= 0.141260 ETOT(band)= 0.004524 trlgG= -0.012946 logG= -0.015111 TDE= -0.136242 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009689 tlogG= -0.005154 logG= -0.014843 Density= 0.136169 ETOT(band)= -0.000383 trlgG= -0.017390 logG= -0.014843 TDE= -0.135965 logGD-logG0= -0.004862 tlogG= -0.002678 logG= -0.007540 Density= 0.068536 ETOT(band)= 0.000120 trlgG= -0.008551 logG= -0.007540 TDE= -0.068163 logGD-logG0= -0.019456 tlogG= -0.010123 logG= -0.029579 Density= 0.271666 ETOT(band)= -0.001121 trlgG= -0.035175 logG= -0.029579 TDE= -0.271775 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009720 tlogG= -0.005304 logG= -0.015024 Density= 0.137387 ETOT(band)= 0.000671 trlgG= -0.016700 logG= -0.015024 TDE= -0.136288 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009713 tlogG= -0.005483 logG= -0.015196 Density= 0.135547 ETOT(band)= -0.001282 trlgG= -0.018577 logG= -0.015196 TDE= -0.136191 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009439 tlogG= -0.008869 logG= -0.018308 Density= 0.138795 ETOT(band)= 0.003407 trlgG= -0.016831 logG= -0.018308 TDE= -0.134515 logGD-logG0= -0.002472 tlogG= -0.001933 logG= -0.004405 Density= 0.036796 ETOT(band)= 0.002533 trlgG= -0.002475 logG= -0.004405 TDE= -0.034122 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002420 tlogG= -0.002008 logG= -0.004428 Density= 0.035893 ETOT(band)= 0.001931 trlgG= -0.003049 logG= -0.004428 TDE= -0.033790 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002362 tlogG= -0.002361 logG= -0.004723 Density= 0.034740 ETOT(band)= 0.000885 trlgG= -0.004344 logG= -0.004723 TDE= -0.033659 logGD-logG0= -0.009492 tlogG= -0.007782 logG= -0.017275 Density= 0.137771 ETOT(band)= 0.002436 trlgG= -0.016803 logG= -0.017275 TDE= -0.134516 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009472 tlogG= -0.008020 logG= -0.017493 Density= 0.138092 ETOT(band)= 0.002867 trlgG= -0.016585 logG= -0.017493 TDE= -0.134396 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009547 tlogG= -0.007405 logG= -0.016952 Density= 0.136445 ETOT(band)= 0.000878 trlgG= -0.018032 logG= -0.016952 TDE= -0.134770 logGD-logG0= -0.009849 tlogG= -0.007370 logG= -0.017218 Density= 0.145244 ETOT(band)= 0.009070 trlgG= -0.010417 logG= -0.017218 TDE= -0.135509 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009604 tlogG= -0.006378 logG= -0.015982 Density= 0.136446 ETOT(band)= 0.001034 trlgG= -0.017177 logG= -0.015982 TDE= -0.134885 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009572 tlogG= -0.007435 logG= -0.017007 Density= 0.141155 ETOT(band)= 0.005690 trlgG= -0.013607 logG= -0.017007 TDE= -0.134904 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004736 tlogG= -0.004057 logG= -0.008793 Density= 0.069721 ETOT(band)= 0.002093 trlgG= -0.007736 logG= -0.008793 TDE= -0.067255 logGD-logG0= -0.009516 tlogG= -0.008534 logG= -0.018050 Density= 0.140782 ETOT(band)= 0.005278 trlgG= -0.014910 logG= -0.018050 TDE= -0.134799 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009543 tlogG= -0.006947 logG= -0.016490 Density= 0.138905 ETOT(band)= 0.003797 trlgG= -0.014945 logG= -0.016490 TDE= -0.134553 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009703 tlogG= -0.005359 logG= -0.015062 Density= 0.134841 ETOT(band)= -0.000542 trlgG= -0.017887 logG= -0.015062 TDE= -0.134941 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004829 tlogG= -0.002856 logG= -0.007685 Density= 0.068635 ETOT(band)= 0.001157 trlgG= -0.007762 logG= -0.007685 TDE= -0.067326 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018994 tlogG= -0.015924 logG= -0.034918 logGD-logG0= -0.019404 tlogG= -0.013506 logG= -0.032911 Density= 0.279869 ETOT(band)= 0.009193 trlgG= -0.029994 logG= -0.034918 TDE= -0.269292 Density= 0.286091 ETOT(band)= 0.014613 trlgG= -0.023169 logG= -0.032911 TDE= -0.270570 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009785 tlogG= -0.004968 logG= -0.014754 Density= 0.133873 ETOT(band)= -0.001430 trlgG= -0.018643 logG= -0.014754 TDE= -0.135058 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019102 tlogG= -0.014068 logG= -0.033170 Density= 0.276342 ETOT(band)= 0.005683 trlgG= -0.031934 logG= -0.033170 TDE= -0.269525 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009632 tlogG= -0.007667 logG= -0.017299 logGD-logG0= -0.009920 tlogG= -0.006990 logG= -0.016910 Density= 0.145714 ETOT(band)= 0.009135 trlgG= -0.010178 logG= -0.016910 TDE= -0.136039 Density= 0.142843 ETOT(band)= 0.007192 trlgG= -0.012375 logG= -0.017299 TDE= -0.135033 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019272 tlogG= -0.011840 logG= -0.031113 Density= 0.277082 ETOT(band)= 0.006582 trlgG= -0.029511 logG= -0.031113 TDE= -0.269884 logGD-logG0= -0.009438 tlogG= -0.009111 logG= -0.018549 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.139066 ETOT(band)= 0.003667 trlgG= -0.016869 logG= -0.018549 TDE= -0.134577 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009814 tlogG= -0.005843 logG= -0.015657 Density= 0.143207 ETOT(band)= 0.007360 trlgG= -0.010899 logG= -0.015657 TDE= -0.135557 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009589 tlogG= -0.006772 logG= -0.016361 Density= 0.140965 ETOT(band)= 0.005743 trlgG= -0.013014 logG= -0.016361 TDE= -0.134771 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003140 tlogG= 0.070684 logG= 0.067544 Density= 0.045457 ETOT(band)= 0.000367 trlgG= 0.067251 logG= 0.067544 TDE= -0.044832 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003147 tlogG= 0.070960 logG= 0.067813 Density= 0.045894 ETOT(band)= 0.000768 trlgG= 0.067956 logG= 0.067813 TDE= -0.044825 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003166 tlogG= 0.071358 logG= 0.068192 Density= 0.045997 ETOT(band)= 0.000896 trlgG= 0.068471 logG= 0.068192 TDE= -0.044789 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002355 tlogG= 0.053031 logG= 0.050676 Density= 0.034171 ETOT(band)= 0.000339 trlgG= 0.050529 logG= 0.050676 TDE= -0.033628 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004710 tlogG= 0.106268 logG= 0.101559 Density= 0.068645 ETOT(band)= 0.000966 trlgG= 0.101568 logG= 0.101559 TDE= -0.067249 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009436 tlogG= 0.212888 logG= 0.203453 Density= 0.137692 ETOT(band)= 0.002367 trlgG= 0.203864 logG= 0.203453 TDE= -0.134500 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009470 tlogG= 0.213582 logG= 0.204112 Density= 0.138336 ETOT(band)= 0.003024 trlgG= 0.205203 logG= 0.204112 TDE= -0.134451 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 5.00312088820313 eV TrLogG= -12.6348564272698 eV Ratio to renormalize= 0.999999999732 rho-rho_expected= 0.000000004287 nargs= 1 argi=dmft2.def 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 60) Finished k-point number 61 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 61) Finished k-point number 62 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 88) Finished k-point number 89 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 82) Finished k-point number 83 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 94) Finished k-point number 95 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 23) Finished k-point number 24 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 75) Finished k-point number 76 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933245255063409 0.930037303966138 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 103) Finished k-point number 104 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 72) Finished k-point number 73 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.3308888985435 Density= 16.3092254738994 16.0000000000000 EF 13.0587750664300 Density= 15.7662114388999 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97980235 0.95980235 0.309225 -0.233789 1 0.96980235 0.95980237 0.523059E-01 -0.233789 2 0.96788470 0.95980237 0.216883E-03 -0.233789 3 0.96787680 0.95980237 0.141231E-06 -0.233789 4 0.96787680 0.95980237 0.362377E-12 -0.233789 Absolute convergence of |F(X)|. Difference in EF too large to mix -0.162255411310669 cutoff= 2.9999999E-02 Difference in EF= -0.1622554113 EF set to : 13.1686334872 new EF (no-mixing): 13.1686334872 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001226 tlogG= -0.001268 logG= -0.002494 Density= 0.018852 ETOT(band)= 0.000964 trlgG= -0.001804 logG= -0.002494 TDE= -0.017556 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009787 tlogG= -0.009682 logG= -0.019470 Density= 0.150718 ETOT(band)= 0.007977 trlgG= -0.013704 logG= -0.019470 TDE= -0.140110 logGD-logG0= -0.002445 tlogG= -0.002442 logG= -0.004887 Density= 0.037655 ETOT(band)= 0.002025 trlgG= -0.003419 logG= -0.004887 TDE= -0.034977 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004890 tlogG= -0.004696 logG= -0.009585 Density= 0.075337 ETOT(band)= 0.004073 trlgG= -0.006621 logG= -0.009585 TDE= -0.069953 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002450 tlogG= -0.002120 logG= -0.004570 Density= 0.037223 ETOT(band)= 0.002079 trlgG= -0.003105 logG= -0.004570 TDE= -0.034563 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009814 tlogG= -0.008827 logG= -0.018641 Density= 0.149805 ETOT(band)= 0.008463 trlgG= -0.012550 logG= -0.018641 TDE= -0.138902 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004908 tlogG= -0.004274 logG= -0.009182 logGD-logG0= -0.009804 tlogG= -0.006854 logG= -0.016658 Density= 0.145593 ETOT(band)= 0.005552 trlgG= -0.013458 logG= -0.016658 TDE= -0.137716 Density= 0.074994 ETOT(band)= 0.004105 trlgG= -0.006259 logG= -0.009182 TDE= -0.069662 logGD-logG0= -0.001596 tlogG= -0.001322 logG= -0.002918 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009809 tlogG= -0.008222 logG= -0.018031 Density= 0.149678 ETOT(band)= 0.008459 trlgG= -0.011939 logG= -0.018031 TDE= -0.138778 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.022646 ETOT(band)= -0.000491 trlgG= -0.003735 logG= -0.002918 TDE= -0.022736 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009822 tlogG= -0.008958 logG= -0.018781 Density= 0.150245 ETOT(band)= 0.008445 trlgG= -0.012654 logG= -0.018781 TDE= -0.139292 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009782 tlogG= -0.007965 logG= -0.017747 Density= 0.149218 ETOT(band)= 0.009051 trlgG= -0.011058 logG= -0.017747 TDE= -0.137735 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019579 tlogG= -0.015110 logG= -0.034689 Density= 0.298247 ETOT(band)= 0.017663 trlgG= -0.021653 logG= -0.034689 TDE= -0.275630 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019617 tlogG= -0.016223 logG= -0.035840 Density= 0.299484 ETOT(band)= 0.016816 trlgG= -0.023758 logG= -0.035840 TDE= -0.277781 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009807 tlogG= -0.006809 logG= -0.016616 Density= 0.147496 ETOT(band)= 0.007534 trlgG= -0.011448 logG= -0.016616 TDE= -0.137590 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003141 tlogG= -0.002622 logG= -0.005763 logGD-logG0= -0.003188 tlogG= -0.002540 logG= -0.005727 Density= 0.045109 ETOT(band)= -0.000989 trlgG= -0.007413 logG= -0.005727 TDE= -0.045346 Density= 0.045653 ETOT(band)= -0.000038 trlgG= -0.006347 logG= -0.005763 TDE= -0.044770 logGD-logG0= -0.009570 tlogG= -0.007495 logG= -0.017066 Density= 0.136017 ETOT(band)= -0.002569 trlgG= -0.021732 logG= -0.017066 TDE= -0.136313 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009565 tlogG= -0.007410 logG= -0.016975 Density= 0.135877 ETOT(band)= -0.002521 trlgG= -0.021614 logG= -0.016975 TDE= -0.136151 logGD-logG0= -0.003170 tlogG= -0.002567 logG= -0.005737 Density= 0.045357 ETOT(band)= -0.000568 trlgG= -0.006928 logG= -0.005737 TDE= -0.045091 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009550 tlogG= -0.007343 logG= -0.016893 Density= 0.135927 ETOT(band)= -0.002128 trlgG= -0.021110 logG= -0.016893 TDE= -0.135778 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009550 tlogG= -0.006586 logG= -0.016136 Density= 0.137107 ETOT(band)= -0.000723 trlgG= -0.018992 logG= -0.016136 TDE= -0.135559 logGD-logG0= -0.009580 tlogG= -0.006718 logG= -0.016298 Density= 0.137388 ETOT(band)= -0.000938 trlgG= -0.019411 logG= -0.016298 TDE= -0.136087 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009868 tlogG= -0.007311 logG= -0.017179 logGD-logG0= -0.009814 tlogG= -0.007727 logG= -0.017541 Density= 0.147567 ETOT(band)= 0.007960 trlgG= -0.011598 logG= -0.017179 TDE= -0.137246 Density= 0.148572 ETOT(band)= 0.009229 trlgG= -0.010684 logG= -0.017541 TDE= -0.136943 logGD-logG0= -0.009492 tlogG= -0.007418 logG= -0.016909 Density= 0.136637 ETOT(band)= -0.000790 trlgG= -0.019548 logG= -0.016909 TDE= -0.134887 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009527 tlogG= -0.007374 logG= -0.016901 Density= 0.136163 ETOT(band)= -0.001718 trlgG= -0.020625 logG= -0.016901 TDE= -0.135513 logGD-logG0= -0.009884 tlogG= -0.006594 logG= -0.016479 Density= 0.143476 ETOT(band)= 0.004100 trlgG= -0.014585 logG= -0.016479 TDE= -0.136973 logGD-logG0= -0.009678 tlogG= -0.006441 logG= -0.016119 Density= 0.140391 ETOT(band)= 0.002293 trlgG= -0.016055 logG= -0.016119 TDE= -0.135818 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009587 tlogG= -0.006687 logG= -0.016274 Density= 0.137343 ETOT(band)= -0.000904 trlgG= -0.019385 logG= -0.016274 TDE= -0.136042 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009568 tlogG= -0.006900 logG= -0.016468 Density= 0.137970 ETOT(band)= 0.000008 trlgG= -0.018431 logG= -0.016468 TDE= -0.135500 logGD-logG0= -0.004839 tlogG= -0.003116 logG= -0.007954 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.067270 ETOT(band)= -0.002126 trlgG= -0.011117 logG= -0.007954 TDE= -0.068271 logGD-logG0= -0.009516 tlogG= -0.006892 logG= -0.016408 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138622 ETOT(band)= 0.001376 trlgG= -0.017157 logG= -0.016408 TDE= -0.134918 logGD-logG0= -0.009612 tlogG= -0.005680 logG= -0.015292 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136840 ETOT(band)= -0.000835 trlgG= -0.018322 logG= -0.015292 TDE= -0.135474 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009682 tlogG= -0.006065 logG= -0.015747 Density= 0.135455 ETOT(band)= -0.003014 trlgG= -0.020830 logG= -0.015747 TDE= -0.136186 logGD-logG0= -0.009770 tlogG= -0.006682 logG= -0.016452 Density= 0.143904 ETOT(band)= 0.006001 trlgG= -0.012648 logG= -0.016452 TDE= -0.135478 logGD-logG0= -0.009660 tlogG= -0.005665 logG= -0.015325 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.133429 ETOT(band)= -0.004554 trlgG= -0.021861 logG= -0.015325 TDE= -0.135679 logGD-logG0= -0.004838 tlogG= -0.002597 logG= -0.007434 Density= 0.065617 ETOT(band)= -0.003006 trlgG= -0.011411 logG= -0.007434 TDE= -0.067485 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009636 tlogG= -0.006003 logG= -0.015638 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137887 ETOT(band)= -0.000335 trlgG= -0.018131 logG= -0.015638 TDE= -0.135950 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009651 tlogG= -0.006207 logG= -0.015858 Density= 0.138494 ETOT(band)= 0.000234 trlgG= -0.017746 logG= -0.015858 TDE= -0.135934 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009572 tlogG= -0.006910 logG= -0.016482 Density= 0.136927 ETOT(band)= -0.001463 trlgG= -0.020142 logG= -0.016482 TDE= -0.136189 logGD-logG0= -0.009878 tlogG= -0.006677 logG= -0.016555 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.144923 ETOT(band)= 0.005018 trlgG= -0.013867 logG= -0.016555 TDE= -0.137579 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019250 tlogG= -0.012107 logG= -0.031357 Density= 0.277595 ETOT(band)= 0.001378 trlgG= -0.034379 logG= -0.031357 TDE= -0.271699 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019338 tlogG= -0.010959 logG= -0.030298 logGD-logG0= -0.019785 tlogG= -0.012988 logG= -0.032773 Density= 0.272014 ETOT(band)= -0.003808 trlgG= -0.038447 logG= -0.030298 TDE= -0.271426 Density= 0.288014 ETOT(band)= 0.008754 trlgG= -0.028561 logG= -0.032773 TDE= -0.274550 logGD-logG0= -0.019268 tlogG= -0.012257 logG= -0.031525 Density= 0.277939 ETOT(band)= 0.001418 trlgG= -0.034530 logG= -0.031525 TDE= -0.272016 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019132 tlogG= -0.013826 logG= -0.032958 Density= 0.274002 ETOT(band)= -0.002325 trlgG= -0.039552 logG= -0.032958 TDE= -0.271794 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019531 tlogG= -0.012232 logG= -0.031763 Density= 0.282471 ETOT(band)= 0.005526 trlgG= -0.030737 logG= -0.031763 TDE= -0.272371 logGD-logG0= -0.019057 tlogG= -0.013871 logG= -0.032929 Density= 0.274631 ETOT(band)= -0.000542 trlgG= -0.037377 logG= -0.032929 TDE= -0.270257 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019382 tlogG= -0.010290 logG= -0.029672 Density= 0.266526 ETOT(band)= -0.008203 trlgG= -0.042063 logG= -0.029672 TDE= -0.270355 logGD-logG0= -0.004929 tlogG= -0.003657 logG= -0.008586 Density= 0.074605 ETOT(band)= 0.004287 trlgG= -0.005465 logG= -0.008586 TDE= -0.069087 logGD-logG0= -0.019237 tlogG= -0.012412 logG= -0.031649 logGD-logG0= -0.019159 tlogG= -0.011793 logG= -0.030952 Density= 0.276155 ETOT(band)= 0.001263 trlgG= -0.033968 logG= -0.030952 TDE= -0.270300 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.277617 ETOT(band)= 0.001678 trlgG= -0.034254 logG= -0.031649 TDE= -0.271304 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019370 tlogG= -0.011588 logG= -0.030957 Density= 0.275625 ETOT(band)= -0.000906 trlgG= -0.036125 logG= -0.030957 TDE= -0.271939 logGD-logG0= -0.000392 tlogG= 0.008705 logG= 0.008313 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.005687 ETOT(band)= -0.000017 trlgG= 0.008222 logG= 0.008313 TDE= -0.005596 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019161 tlogG= -0.012517 logG= -0.031678 logGD-logG0= -0.009780 tlogG= -0.004871 logG= -0.014651 Density= 0.278609 ETOT(band)= 0.003806 trlgG= -0.032458 logG= -0.031678 TDE= -0.270439 Density= 0.132569 ETOT(band)= -0.004818 trlgG= -0.021775 logG= -0.014651 TDE= -0.135435 logGD-logG0= -0.019750 tlogG= -0.013091 logG= -0.032841 logGD-logG0= -0.019456 tlogG= -0.010631 logG= -0.030087 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.280209 ETOT(band)= 0.004395 trlgG= -0.030048 logG= -0.030087 TDE= -0.271168 Density= 0.290738 ETOT(band)= 0.013704 trlgG= -0.023590 logG= -0.032841 TDE= -0.272147 logGD-logG0= -0.009680 tlogG= -0.005495 logG= -0.015175 Density= 0.132953 ETOT(band)= -0.004983 trlgG= -0.022091 logG= -0.015175 TDE= -0.135599 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019562 tlogG= -0.011290 logG= -0.030852 Density= 0.280016 ETOT(band)= 0.003191 trlgG= -0.032185 logG= -0.030852 TDE= -0.272355 logGD-logG0= -0.019420 tlogG= -0.010718 logG= -0.030138 Density= 0.273215 ETOT(band)= -0.003232 trlgG= -0.037577 logG= -0.030138 TDE= -0.271878 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019364 tlogG= -0.010718 logG= -0.030082 Density= 0.277666 ETOT(band)= 0.002817 trlgG= -0.032079 logG= -0.030082 TDE= -0.270743 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009880 tlogG= -0.006147 logG= -0.016027 Density= 0.145022 ETOT(band)= 0.006280 trlgG= -0.012005 logG= -0.016027 TDE= -0.136341 logGD-logG0= -0.019390 tlogG= -0.011766 logG= -0.031156 Density= 0.269204 ETOT(band)= -0.007746 trlgG= -0.043056 logG= -0.031156 TDE= -0.272457 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019434 tlogG= -0.010190 logG= -0.029624 logGD-logG0= -0.009763 tlogG= -0.005292 logG= -0.015054 Density= 0.140863 ETOT(band)= 0.002671 trlgG= -0.014590 logG= -0.015054 TDE= -0.135873 Density= 0.269435 ETOT(band)= -0.006196 trlgG= -0.039994 logG= -0.029624 TDE= -0.271150 logGD-logG0= -0.019653 tlogG= -0.012043 logG= -0.031696 Density= 0.281754 ETOT(band)= 0.003534 trlgG= -0.032565 logG= -0.031696 TDE= -0.273573 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009700 tlogG= -0.005331 logG= -0.015032 Density= 0.137006 ETOT(band)= -0.001153 trlgG= -0.018358 logG= -0.015032 TDE= -0.135931 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004851 tlogG= -0.002690 logG= -0.007541 Density= 0.068495 ETOT(band)= -0.000642 trlgG= -0.009242 logG= -0.007541 TDE= -0.067995 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009676 tlogG= -0.005190 logG= -0.014865 Density= 0.136205 ETOT(band)= -0.001818 trlgG= -0.018709 logG= -0.014865 TDE= -0.135674 logGD-logG0= -0.009691 tlogG= -0.005537 logG= -0.015228 Density= 0.135579 ETOT(band)= -0.002729 trlgG= -0.019920 logG= -0.015228 TDE= -0.135916 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002463 tlogG= -0.001912 logG= -0.004374 Density= 0.036987 ETOT(band)= 0.002346 trlgG= -0.002592 logG= -0.004374 TDE= -0.034016 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009489 tlogG= -0.007816 logG= -0.017305 Density= 0.138014 ETOT(band)= 0.001132 trlgG= -0.018003 logG= -0.017305 TDE= -0.134278 logGD-logG0= -0.002413 tlogG= -0.001997 logG= -0.004410 Density= 0.035841 ETOT(band)= 0.001506 trlgG= -0.003425 logG= -0.004410 TDE= -0.033705 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002361 tlogG= -0.002363 logG= -0.004724 Density= 0.034773 ETOT(band)= 0.000532 trlgG= -0.004670 logG= -0.004724 TDE= -0.033601 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009537 tlogG= -0.007458 logG= -0.016995 Density= 0.136886 ETOT(band)= -0.000236 trlgG= -0.019040 logG= -0.016995 TDE= -0.134533 logGD-logG0= -0.009817 tlogG= -0.007299 logG= -0.017116 Density= 0.145185 ETOT(band)= 0.007519 trlgG= -0.011724 logG= -0.017116 TDE= -0.135128 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004735 tlogG= -0.004061 logG= -0.008796 Density= 0.069746 ETOT(band)= 0.001353 trlgG= -0.008418 logG= -0.008796 TDE= -0.067128 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009558 tlogG= -0.007420 logG= -0.016978 Density= 0.140899 ETOT(band)= 0.003947 trlgG= -0.015181 logG= -0.016978 TDE= -0.134576 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009471 tlogG= -0.008047 logG= -0.017518 Density= 0.138306 ETOT(band)= 0.001535 trlgG= -0.017818 logG= -0.017518 TDE= -0.134164 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009591 tlogG= -0.006415 logG= -0.016006 Density= 0.136862 ETOT(band)= -0.000059 trlgG= -0.018160 logG= -0.016006 TDE= -0.134620 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009505 tlogG= -0.008520 logG= -0.018026 Density= 0.140676 ETOT(band)= 0.003659 trlgG= -0.016383 logG= -0.018026 TDE= -0.134514 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009687 tlogG= -0.005390 logG= -0.015077 Density= 0.134679 ETOT(band)= -0.002151 trlgG= -0.019405 logG= -0.015077 TDE= -0.134680 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009538 tlogG= -0.006962 logG= -0.016500 Density= 0.138951 ETOT(band)= 0.002328 trlgG= -0.016287 logG= -0.016500 TDE= -0.134274 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019347 tlogG= -0.013436 logG= -0.032783 Density= 0.285163 ETOT(band)= 0.010765 trlgG= -0.026607 logG= -0.032783 TDE= -0.269827 logGD-logG0= -0.019087 tlogG= -0.014111 logG= -0.033198 Density= 0.276601 ETOT(band)= 0.002900 trlgG= -0.034445 logG= -0.033198 TDE= -0.268962 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004823 tlogG= -0.002864 logG= -0.007687 Density= 0.068631 ETOT(band)= 0.000425 trlgG= -0.008436 logG= -0.007687 TDE= -0.067176 logGD-logG0= -0.009436 tlogG= -0.009121 logG= -0.018557 logGD-logG0= -0.018983 tlogG= -0.015928 logG= -0.034911 Density= 0.279784 ETOT(band)= 0.006070 trlgG= -0.032852 logG= -0.034911 TDE= -0.268737 Density= 0.139190 ETOT(band)= 0.002249 trlgG= -0.018182 logG= -0.018557 TDE= -0.134344 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009769 tlogG= -0.005002 logG= -0.014771 Density= 0.132212 ETOT(band)= -0.004454 trlgG= -0.021553 logG= -0.014771 TDE= -0.134747 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009610 tlogG= -0.007631 logG= -0.017241 Density= 0.142569 ETOT(band)= 0.005429 trlgG= -0.013946 logG= -0.017241 TDE= -0.134694 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009891 tlogG= -0.006899 logG= -0.016790 Density= 0.146091 ETOT(band)= 0.008028 trlgG= -0.011024 logG= -0.016790 TDE= -0.135632 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009777 tlogG= -0.005797 logG= -0.015574 Density= 0.142437 ETOT(band)= 0.005176 trlgG= -0.012872 logG= -0.015574 TDE= -0.135160 logGD-logG0= -0.009577 tlogG= -0.006761 logG= -0.016338 Density= 0.140706 ETOT(band)= 0.004004 trlgG= -0.014597 logG= -0.016338 TDE= -0.134445 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019247 tlogG= -0.011859 logG= -0.031106 Density= 0.276899 ETOT(band)= 0.003471 trlgG= -0.032342 logG= -0.031106 TDE= -0.269240 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003164 tlogG= 0.070443 logG= 0.067279 Density= 0.046088 ETOT(band)= 0.000466 trlgG= 0.067167 logG= 0.067279 TDE= -0.044720 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003138 tlogG= 0.069766 logG= 0.066629 Density= 0.045624 ETOT(band)= 0.000003 trlgG= 0.066028 logG= 0.066629 TDE= -0.044759 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002353 tlogG= 0.052344 logG= 0.049990 Density= 0.034286 ETOT(band)= 0.000058 trlgG= 0.049603 logG= 0.049990 TDE= -0.033572 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009487 tlogG= 0.211206 logG= 0.201719 Density= 0.138957 ETOT(band)= 0.002052 trlgG= 0.201926 logG= 0.201719 TDE= -0.134287 logGD-logG0= -0.009431 tlogG= 0.210151 logG= 0.200720 Density= 0.138012 ETOT(band)= 0.001119 trlgG= 0.200027 logG= 0.200720 TDE= -0.134271 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004708 tlogG= 0.104896 logG= 0.100188 Density= 0.068838 ETOT(band)= 0.000370 trlgG= 0.099681 logG= 0.100188 TDE= -0.067133 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009465 tlogG= 0.210849 logG= 0.201384 Density= 0.138570 ETOT(band)= 0.001698 trlgG= 0.201267 logG= 0.201384 TDE= -0.134236 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003146 tlogG= 0.070046 logG= 0.066901 Density= 0.046007 ETOT(band)= 0.000356 trlgG= 0.066684 logG= 0.066901 TDE= -0.044746 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.70617596451729 eV TrLogG= -11.8085247747289 eV Ratio to renormalize= 0.999999999736 rho-rho_expected= 0.000000004227 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 28) Finished k-point number 29 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 59) Finished k-point number 60 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 40) Finished k-point number 41 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 89) Finished k-point number 90 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 76) Finished k-point number 77 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 96) Finished k-point number 97 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933292194540818 0.930087953005165 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1686334872329 Density= 16.0044800010671 16.0000000000000 EF 12.8965196551193 Density= 15.3758338071208 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96787680 0.94787680 0.448000E-02 -0.624166 1 0.96773427 0.94787680 0.574656E-03 -0.624166 2 0.96771331 0.96773427 -0.941718E-08 0.574656E-03 3 0.96771331 0.96771331 0.112976E-11 -0.941718E-08 Absolute convergence of |F(X)|. Difference in EF= -0.0022242777 EF set to : 13.1664092095 new EF (no-mixing): 13.1664092095 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001226 tlogG= -0.001268 logG= -0.002494 Density= 0.018854 ETOT(band)= 0.000964 trlgG= -0.001805 logG= -0.002494 TDE= -0.017556 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009787 tlogG= -0.009681 logG= -0.019467 Density= 0.150734 ETOT(band)= 0.007970 trlgG= -0.013705 logG= -0.019467 TDE= -0.140105 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002445 tlogG= -0.002441 logG= -0.004886 Density= 0.037659 ETOT(band)= 0.002023 trlgG= -0.003419 logG= -0.004886 TDE= -0.034976 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004889 tlogG= -0.004695 logG= -0.009584 Density= 0.075345 ETOT(band)= 0.004069 trlgG= -0.006622 logG= -0.009584 TDE= -0.069950 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002450 tlogG= -0.002120 logG= -0.004570 Density= 0.037229 ETOT(band)= 0.002079 trlgG= -0.003104 logG= -0.004570 TDE= -0.034562 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001596 tlogG= -0.001322 logG= -0.002918 Density= 0.022648 ETOT(band)= -0.000494 trlgG= -0.003737 logG= -0.002918 TDE= -0.022736 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009813 tlogG= -0.008825 logG= -0.018638 Density= 0.149823 ETOT(band)= 0.008458 trlgG= -0.012549 logG= -0.018638 TDE= -0.138897 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009809 tlogG= -0.008221 logG= -0.018029 Density= 0.149695 ETOT(band)= 0.008452 trlgG= -0.011941 logG= -0.018029 TDE= -0.138773 logGD-logG0= -0.009804 tlogG= -0.006853 logG= -0.016657 Density= 0.145586 ETOT(band)= 0.005522 trlgG= -0.013483 logG= -0.016657 TDE= -0.137712 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004908 tlogG= -0.004273 logG= -0.009181 Density= 0.075003 ETOT(band)= 0.004103 trlgG= -0.006259 logG= -0.009181 TDE= -0.069659 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009781 tlogG= -0.007964 logG= -0.017745 Density= 0.149236 ETOT(band)= 0.009046 trlgG= -0.011058 logG= -0.017745 TDE= -0.137731 logGD-logG0= -0.009822 tlogG= -0.008957 logG= -0.018779 Density= 0.150263 ETOT(band)= 0.008439 trlgG= -0.012654 logG= -0.018779 TDE= -0.139287 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019578 tlogG= -0.015105 logG= -0.034683 Density= 0.298282 ETOT(band)= 0.017652 trlgG= -0.021654 logG= -0.034683 TDE= -0.275622 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019616 tlogG= -0.016219 logG= -0.035835 Density= 0.299520 ETOT(band)= 0.016806 trlgG= -0.023757 logG= -0.035835 TDE= -0.277772 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009807 tlogG= -0.006807 logG= -0.016614 Density= 0.147509 ETOT(band)= 0.007524 trlgG= -0.011454 logG= -0.016614 TDE= -0.137586 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003169 tlogG= -0.002568 logG= -0.005737 logGD-logG0= -0.003187 tlogG= -0.002540 logG= -0.005727 Density= 0.045113 ETOT(band)= -0.000993 trlgG= -0.007417 logG= -0.005727 TDE= -0.045346 Density= 0.045360 ETOT(band)= -0.000573 trlgG= -0.006933 logG= -0.005737 TDE= -0.045091 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009570 tlogG= -0.007495 logG= -0.017065 Density= 0.136025 ETOT(band)= -0.002584 trlgG= -0.021744 logG= -0.017065 TDE= -0.136312 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003141 tlogG= -0.002622 logG= -0.005763 Density= 0.045655 ETOT(band)= -0.000044 trlgG= -0.006352 logG= -0.005763 TDE= -0.044770 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009563 tlogG= -0.007413 logG= -0.016976 Density= 0.135886 ETOT(band)= -0.002537 trlgG= -0.021627 logG= -0.016976 TDE= -0.136150 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009491 tlogG= -0.007415 logG= -0.016907 Density= 0.136644 ETOT(band)= -0.000807 trlgG= -0.019560 logG= -0.016907 TDE= -0.134886 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009549 tlogG= -0.007342 logG= -0.016891 Density= 0.135936 ETOT(band)= -0.002143 trlgG= -0.021121 logG= -0.016891 TDE= -0.135777 logGD-logG0= -0.009580 tlogG= -0.006719 logG= -0.016298 Density= 0.137392 ETOT(band)= -0.000957 trlgG= -0.019427 logG= -0.016298 TDE= -0.136085 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009867 tlogG= -0.007310 logG= -0.017177 Density= 0.147581 ETOT(band)= 0.007950 trlgG= -0.011603 logG= -0.017177 TDE= -0.137242 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009551 tlogG= -0.006587 logG= -0.016138 Density= 0.137113 ETOT(band)= -0.000740 trlgG= -0.019009 logG= -0.016138 TDE= -0.135557 logGD-logG0= -0.009813 tlogG= -0.007726 logG= -0.017539 Density= 0.148588 ETOT(band)= 0.009222 trlgG= -0.010687 logG= -0.017539 TDE= -0.136939 logGD-logG0= -0.009568 tlogG= -0.006901 logG= -0.016469 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137972 ETOT(band)= -0.000012 trlgG= -0.018450 logG= -0.016469 TDE= -0.135499 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009884 tlogG= -0.006594 logG= -0.016478 logGD-logG0= -0.009587 tlogG= -0.006687 logG= -0.016274 logGD-logG0= -0.009527 tlogG= -0.007375 logG= -0.016902 Density= 0.136171 ETOT(band)= -0.001734 trlgG= -0.020640 logG= -0.016902 TDE= -0.135512 Density= 0.143465 ETOT(band)= 0.004067 trlgG= -0.014615 logG= -0.016478 TDE= -0.136970 Density= 0.137346 ETOT(band)= -0.000924 trlgG= -0.019402 logG= -0.016274 TDE= -0.136040 logGD-logG0= -0.009677 tlogG= -0.006440 logG= -0.016118 Density= 0.140384 ETOT(band)= 0.002262 trlgG= -0.016082 logG= -0.016118 TDE= -0.135815 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009636 tlogG= -0.006004 logG= -0.015640 Density= 0.137885 ETOT(band)= -0.000360 trlgG= -0.018154 logG= -0.015640 TDE= -0.135948 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009681 tlogG= -0.006065 logG= -0.015746 Density= 0.135456 ETOT(band)= -0.003037 trlgG= -0.020848 logG= -0.015746 TDE= -0.136184 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009516 tlogG= -0.006891 logG= -0.016407 logGD-logG0= -0.004839 tlogG= -0.002598 logG= -0.007437 Density= 0.138623 ETOT(band)= 0.001354 trlgG= -0.017176 logG= -0.016407 TDE= -0.134917 Density= 0.065615 ETOT(band)= -0.003019 trlgG= -0.011425 logG= -0.007437 TDE= -0.067485 logGD-logG0= -0.009660 tlogG= -0.005667 logG= -0.015327 Density= 0.133439 ETOT(band)= -0.004567 trlgG= -0.021875 logG= -0.015327 TDE= -0.135679 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004839 tlogG= -0.003117 logG= -0.007956 Density= 0.067274 ETOT(band)= -0.002133 trlgG= -0.011125 logG= -0.007956 TDE= -0.068270 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009769 tlogG= -0.006681 logG= -0.016450 Density= 0.143899 ETOT(band)= 0.005973 trlgG= -0.012673 logG= -0.016450 TDE= -0.135475 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009572 tlogG= -0.006911 logG= -0.016483 Density= 0.136932 ETOT(band)= -0.001482 trlgG= -0.020159 logG= -0.016483 TDE= -0.136187 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009613 tlogG= -0.005684 logG= -0.015297 logGD-logG0= -0.009651 tlogG= -0.006210 logG= -0.015860 Density= 0.138490 ETOT(band)= 0.000207 trlgG= -0.017773 logG= -0.015860 TDE= -0.135932 Density= 0.136839 ETOT(band)= -0.000859 trlgG= -0.018349 logG= -0.015297 TDE= -0.135473 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019247 tlogG= -0.012109 logG= -0.031356 Density= 0.277589 ETOT(band)= 0.001325 trlgG= -0.034423 logG= -0.031356 TDE= -0.271695 logGD-logG0= -0.009878 tlogG= -0.006676 logG= -0.016554 Density= 0.144910 ETOT(band)= 0.004983 trlgG= -0.013898 logG= -0.016554 TDE= -0.137575 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019131 tlogG= -0.013821 logG= -0.032952 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.274014 ETOT(band)= -0.002359 trlgG= -0.039576 logG= -0.032952 TDE= -0.271791 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019268 tlogG= -0.012260 logG= -0.031528 Density= 0.277936 ETOT(band)= 0.001370 trlgG= -0.034577 logG= -0.031528 TDE= -0.272011 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019784 tlogG= -0.012987 logG= -0.032771 Density= 0.287983 ETOT(band)= 0.008678 trlgG= -0.028629 logG= -0.032771 TDE= -0.274543 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019338 tlogG= -0.010963 logG= -0.030301 logGD-logG0= -0.019057 tlogG= -0.013873 logG= -0.032930 Density= 0.272003 ETOT(band)= -0.003864 trlgG= -0.038501 logG= -0.030301 TDE= -0.271422 Density= 0.274641 ETOT(band)= -0.000580 trlgG= -0.037411 logG= -0.032930 TDE= -0.270255 logGD-logG0= -0.019383 tlogG= -0.010294 logG= -0.029678 Density= 0.266520 ETOT(band)= -0.008253 trlgG= -0.042115 logG= -0.029678 TDE= -0.270352 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019369 tlogG= -0.011582 logG= -0.030951 Density= 0.275605 ETOT(band)= -0.000970 trlgG= -0.036179 logG= -0.030951 TDE= -0.271934 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004929 tlogG= -0.003656 logG= -0.008585 Density= 0.074613 ETOT(band)= 0.004283 trlgG= -0.005467 logG= -0.008585 TDE= -0.069085 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019237 tlogG= -0.012413 logG= -0.031651 Density= 0.277613 ETOT(band)= 0.001629 trlgG= -0.034302 logG= -0.031651 TDE= -0.271301 logGD-logG0= -0.000392 tlogG= 0.008704 logG= 0.008312 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.005687 ETOT(band)= -0.000017 trlgG= 0.008220 logG= 0.008312 TDE= -0.005596 logGD-logG0= -0.019160 tlogG= -0.012519 logG= -0.031679 logGD-logG0= -0.019529 tlogG= -0.012232 logG= -0.031760 Density= 0.282448 ETOT(band)= 0.005459 trlgG= -0.030797 logG= -0.031760 TDE= -0.272365 Density= 0.278601 ETOT(band)= 0.003752 trlgG= -0.032507 logG= -0.031679 TDE= -0.270434 logGD-logG0= -0.009780 tlogG= -0.004872 logG= -0.014651 Density= 0.132525 ETOT(band)= -0.004882 trlgG= -0.021838 logG= -0.014651 TDE= -0.135433 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019157 tlogG= -0.011794 logG= -0.030952 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.009679 tlogG= -0.005492 logG= -0.015171 Density= 0.276153 ETOT(band)= 0.001214 trlgG= -0.034012 logG= -0.030952 TDE= -0.270296 Density= 0.132967 ETOT(band)= -0.004993 trlgG= -0.022095 logG= -0.015171 TDE= -0.135599 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019749 tlogG= -0.013089 logG= -0.032837 Density= 0.290742 ETOT(band)= 0.013663 trlgG= -0.023623 logG= -0.032837 TDE= -0.272141 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009763 tlogG= -0.005291 logG= -0.015054 Density= 0.140853 ETOT(band)= 0.002639 trlgG= -0.014620 logG= -0.015054 TDE= -0.135871 logGD-logG0= -0.019388 tlogG= -0.011766 logG= -0.031154 Density= 0.269216 ETOT(band)= -0.007783 trlgG= -0.043084 logG= -0.031154 TDE= -0.272454 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019456 tlogG= -0.010636 logG= -0.030092 Density= 0.280194 ETOT(band)= 0.004335 trlgG= -0.030109 logG= -0.030092 TDE= -0.271164 logGD-logG0= -0.009880 tlogG= -0.006146 logG= -0.016025 Density= 0.145018 ETOT(band)= 0.006254 trlgG= -0.012027 logG= -0.016025 TDE= -0.136338 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019561 tlogG= -0.011290 logG= -0.030851 Density= 0.279990 ETOT(band)= 0.003121 trlgG= -0.032249 logG= -0.030851 TDE= -0.272349 logGD-logG0= -0.019364 tlogG= -0.010719 logG= -0.030083 Density= 0.277645 ETOT(band)= 0.002753 trlgG= -0.032140 logG= -0.030083 TDE= -0.270738 logGD-logG0= -0.019419 tlogG= -0.010718 logG= -0.030137 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.273190 ETOT(band)= -0.003303 trlgG= -0.037642 logG= -0.030137 TDE= -0.271875 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019652 tlogG= -0.012044 logG= -0.031696 Density= 0.281727 ETOT(band)= 0.003463 trlgG= -0.032632 logG= -0.031696 TDE= -0.273566 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019434 tlogG= -0.010194 logG= -0.029628 Density= 0.269418 ETOT(band)= -0.006258 trlgG= -0.040055 logG= -0.029628 TDE= -0.271147 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009700 tlogG= -0.005332 logG= -0.015032 Density= 0.137001 ETOT(band)= -0.001180 trlgG= -0.018383 logG= -0.015032 TDE= -0.135929 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009692 tlogG= -0.005538 logG= -0.015230 logGD-logG0= -0.004851 tlogG= -0.002690 logG= -0.007541 Density= 0.068495 ETOT(band)= -0.000653 trlgG= -0.009252 logG= -0.007541 TDE= -0.067994 Density= 0.135583 ETOT(band)= -0.002747 trlgG= -0.019940 logG= -0.015230 TDE= -0.135915 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009676 tlogG= -0.005192 logG= -0.014867 Density= 0.136206 ETOT(band)= -0.001841 trlgG= -0.018732 logG= -0.014867 TDE= -0.135672 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002463 tlogG= -0.001911 logG= -0.004374 Density= 0.036989 ETOT(band)= 0.002342 trlgG= -0.002594 logG= -0.004374 TDE= -0.034015 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002413 tlogG= -0.001997 logG= -0.004410 Density= 0.035840 ETOT(band)= 0.001499 trlgG= -0.003431 logG= -0.004410 TDE= -0.033704 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009489 tlogG= -0.007816 logG= -0.017305 Density= 0.138018 ETOT(band)= 0.001112 trlgG= -0.018021 logG= -0.017305 TDE= -0.134278 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002361 tlogG= -0.002363 logG= -0.004724 Density= 0.034773 ETOT(band)= 0.000527 trlgG= -0.004675 logG= -0.004724 TDE= -0.033601 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009470 tlogG= -0.008048 logG= -0.017518 Density= 0.138310 ETOT(band)= 0.001515 trlgG= -0.017837 logG= -0.017518 TDE= -0.134163 logGD-logG0= -0.009558 tlogG= -0.007420 logG= -0.016978 Density= 0.140896 ETOT(band)= 0.003921 trlgG= -0.015206 logG= -0.016978 TDE= -0.134574 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009537 tlogG= -0.007455 logG= -0.016992 Density= 0.136893 ETOT(band)= -0.000253 trlgG= -0.019051 logG= -0.016992 TDE= -0.134533 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009816 tlogG= -0.007298 logG= -0.017114 Density= 0.145183 ETOT(band)= 0.007494 trlgG= -0.011745 logG= -0.017114 TDE= -0.135126 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004735 tlogG= -0.004061 logG= -0.008796 Density= 0.069748 ETOT(band)= 0.001343 trlgG= -0.008428 logG= -0.008796 TDE= -0.067127 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009505 tlogG= -0.008521 logG= -0.018026 Density= 0.140674 ETOT(band)= 0.003633 trlgG= -0.016406 logG= -0.018026 TDE= -0.134512 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009590 tlogG= -0.006416 logG= -0.016006 logGD-logG0= -0.009537 tlogG= -0.006967 logG= -0.016505 Density= 0.138949 ETOT(band)= 0.002302 trlgG= -0.016314 logG= -0.016505 TDE= -0.134273 Density= 0.136868 ETOT(band)= -0.000077 trlgG= -0.018176 logG= -0.016006 TDE= -0.134619 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009687 tlogG= -0.005390 logG= -0.015077 Density= 0.134676 ETOT(band)= -0.002175 trlgG= -0.019428 logG= -0.015077 TDE= -0.134679 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019089 tlogG= -0.014117 logG= -0.033206 Density= 0.276606 ETOT(band)= 0.002858 trlgG= -0.034491 logG= -0.033206 TDE= -0.268960 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004822 tlogG= -0.002865 logG= -0.007687 Density= 0.068630 ETOT(band)= 0.000412 trlgG= -0.008448 logG= -0.007687 TDE= -0.067175 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018983 tlogG= -0.015928 logG= -0.034911 Density= 0.279784 ETOT(band)= 0.006024 trlgG= -0.032895 logG= -0.034911 TDE= -0.268735 logGD-logG0= -0.009766 tlogG= -0.005003 logG= -0.014769 Density= 0.132180 ETOT(band)= -0.004508 trlgG= -0.021602 logG= -0.014769 TDE= -0.134745 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009436 tlogG= -0.009121 logG= -0.018557 Density= 0.139193 ETOT(band)= 0.002228 trlgG= -0.018202 logG= -0.018557 TDE= -0.134343 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019347 tlogG= -0.013435 logG= -0.032783 Density= 0.285148 ETOT(band)= 0.010706 trlgG= -0.026663 logG= -0.032783 TDE= -0.269822 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009891 tlogG= -0.006897 logG= -0.016788 logGD-logG0= -0.009776 tlogG= -0.005796 logG= -0.015572 Density= 0.146095 ETOT(band)= 0.008009 trlgG= -0.011038 logG= -0.016788 TDE= -0.135628 logGD-logG0= -0.009610 tlogG= -0.007631 logG= -0.017240 Density= 0.142424 ETOT(band)= 0.005140 trlgG= -0.012904 logG= -0.015572 TDE= -0.135157 Density= 0.142564 ETOT(band)= 0.005402 trlgG= -0.013971 logG= -0.017240 TDE= -0.134692 logGD-logG0= -0.019243 tlogG= -0.011855 logG= -0.031098 Density= 0.276891 ETOT(band)= 0.003415 trlgG= -0.032384 logG= -0.031098 TDE= -0.269237 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009577 tlogG= -0.006761 logG= -0.016338 Density= 0.140703 ETOT(band)= 0.003978 trlgG= -0.014621 logG= -0.016338 TDE= -0.134444 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003164 tlogG= 0.070431 logG= 0.067267 Density= 0.046090 ETOT(band)= 0.000459 trlgG= 0.067149 logG= 0.067267 TDE= -0.044720 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003146 tlogG= 0.070034 logG= 0.066888 Density= 0.046009 ETOT(band)= 0.000350 trlgG= 0.066666 logG= 0.066888 TDE= -0.044746 logGD-logG0= -0.009487 tlogG= 0.211169 logG= 0.201683 Density= 0.138961 ETOT(band)= 0.002031 trlgG= 0.201870 logG= 0.201683 TDE= -0.134287 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002353 tlogG= 0.052334 logG= 0.049981 Density= 0.034288 ETOT(band)= 0.000053 trlgG= 0.049590 logG= 0.049981 TDE= -0.033572 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003138 tlogG= 0.069754 logG= 0.066616 Density= 0.045626 ETOT(band)= -0.000003 trlgG= 0.066010 logG= 0.066616 TDE= -0.044759 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004708 tlogG= 0.104877 logG= 0.100169 Density= 0.068842 ETOT(band)= 0.000360 trlgG= 0.099655 logG= 0.100169 TDE= -0.067133 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009431 tlogG= 0.210114 logG= 0.200682 Density= 0.138017 ETOT(band)= 0.001100 trlgG= 0.199973 logG= 0.200682 TDE= -0.134271 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009466 tlogG= 0.210811 logG= 0.201345 Density= 0.138574 ETOT(band)= 0.001679 trlgG= 0.201209 logG= 0.201345 TDE= -0.134236 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.67016188000691 eV TrLogG= -11.8428134206634 eV Ratio to renormalize= 0.999999999736 rho-rho_expected= 0.000000004226 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 44) Finished k-point number 45 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 59) Finished k-point number 60 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 56) Finished k-point number 57 1 with #bands= 18 62) Finished k-point number 63 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 88) Finished k-point number 89 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 91) Finished k-point number 92 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933277908842193 0.930103060675526 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 7) Finished k-point number 8 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 55) Finished k-point number 56 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 63) Finished k-point number 64 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 44) Finished k-point number 45 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 26) Finished k-point number 27 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 33) Finished k-point number 34 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 25) Finished k-point number 26 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1664092095383 Density= 15.9946880234218 16.0000000000000 EF 13.4385230416519 Density= 16.5003132416510 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98771331 0.96771331 0.500313 -0.531198E-02 1 0.97771331 0.96771333 0.256286 -0.531198E-02 2 0.97271332 0.96771309 0.128514 -0.531198E-02 3 0.97021320 0.96771321 0.624555E-01 -0.531198E-02 4 0.96896321 0.96771315 0.288006E-01 -0.531197E-02 5 0.96833818 0.96771294 0.118019E-01 -0.531197E-02 6 0.96802556 0.96771304 0.325506E-02 -0.531198E-02 7 0.96790673 0.96802556 -0.159569E-05 0.325506E-02 8 0.96790679 0.96790673 0.108570E-08 -0.159569E-05 9 0.96790679 0.96790679 -0.165682E-08 0.108570E-08 10 0.96790679 0.96790679 -0.165682E-08 0.108570E-08 Absolute convergence of the X interval. Difference in EF= 0.0026323499 EF set to : 13.1690415594 new EF (no-mixing): 13.1690415594 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001226 tlogG= -0.001268 logG= -0.002494 Density= 0.018855 ETOT(band)= 0.000964 trlgG= -0.001803 logG= -0.002494 TDE= -0.017559 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009787 tlogG= -0.009678 logG= -0.019465 Density= 0.150740 ETOT(band)= 0.007976 trlgG= -0.013696 logG= -0.019465 TDE= -0.140133 logGD-logG0= -0.002445 tlogG= -0.002441 logG= -0.004886 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 Density= 0.037661 ETOT(band)= 0.002025 trlgG= -0.003416 logG= -0.004886 TDE= -0.034983 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004889 tlogG= -0.004694 logG= -0.009583 Density= 0.075348 ETOT(band)= 0.004072 trlgG= -0.006617 logG= -0.009583 TDE= -0.069964 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002450 tlogG= -0.002119 logG= -0.004569 Density= 0.037230 ETOT(band)= 0.002080 trlgG= -0.003102 logG= -0.004569 TDE= -0.034569 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001596 tlogG= -0.001322 logG= -0.002918 Density= 0.022649 ETOT(band)= -0.000494 trlgG= -0.003737 logG= -0.002918 TDE= -0.022741 logGD-logG0= -0.009804 tlogG= -0.006852 logG= -0.016656 Density= 0.145587 ETOT(band)= 0.005522 trlgG= -0.013482 logG= -0.016656 TDE= -0.137741 logGD-logG0= -0.009809 tlogG= -0.008219 logG= -0.018028 Density= 0.149700 ETOT(band)= 0.008457 trlgG= -0.011933 logG= -0.018028 TDE= -0.138801 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009814 tlogG= -0.008823 logG= -0.018637 Density= 0.149829 ETOT(band)= 0.008464 trlgG= -0.012541 logG= -0.018637 TDE= -0.138925 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004908 tlogG= -0.004272 logG= -0.009180 Density= 0.075006 ETOT(band)= 0.004105 trlgG= -0.006255 logG= -0.009180 TDE= -0.069673 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009822 tlogG= -0.008955 logG= -0.018777 Density= 0.150269 ETOT(band)= 0.008445 trlgG= -0.012645 logG= -0.018777 TDE= -0.139315 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009781 tlogG= -0.007962 logG= -0.017743 Density= 0.149241 ETOT(band)= 0.009050 trlgG= -0.011051 logG= -0.017743 TDE= -0.137760 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019616 tlogG= -0.016216 logG= -0.035832 Density= 0.299531 ETOT(band)= 0.016817 trlgG= -0.023741 logG= -0.035832 TDE= -0.277828 logGD-logG0= -0.019579 tlogG= -0.015101 logG= -0.034680 Density= 0.298291 ETOT(band)= 0.017660 trlgG= -0.021641 logG= -0.034680 TDE= -0.275679 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009807 tlogG= -0.006806 logG= -0.016613 Density= 0.147512 ETOT(band)= 0.007526 trlgG= -0.011449 logG= -0.016613 TDE= -0.137615 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003188 tlogG= -0.002539 logG= -0.005727 Density= 0.045114 ETOT(band)= -0.000994 trlgG= -0.007417 logG= -0.005727 TDE= -0.045356 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009571 tlogG= -0.007495 logG= -0.017066 Density= 0.136029 ETOT(band)= -0.002586 trlgG= -0.021744 logG= -0.017066 TDE= -0.136342 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003141 tlogG= -0.002621 logG= -0.005763 logGD-logG0= -0.003170 tlogG= -0.002568 logG= -0.005737 Density= 0.045657 ETOT(band)= -0.000044 trlgG= -0.006351 logG= -0.005763 TDE= -0.044780 Density= 0.045361 ETOT(band)= -0.000573 trlgG= -0.006933 logG= -0.005737 TDE= -0.045101 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009564 tlogG= -0.007413 logG= -0.016977 Density= 0.135890 ETOT(band)= -0.002538 trlgG= -0.021628 logG= -0.016977 TDE= -0.136180 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009549 tlogG= -0.007340 logG= -0.016889 Density= 0.135940 ETOT(band)= -0.002144 trlgG= -0.021119 logG= -0.016889 TDE= -0.135807 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009580 tlogG= -0.006717 logG= -0.016296 Density= 0.137394 ETOT(band)= -0.000960 trlgG= -0.019427 logG= -0.016296 TDE= -0.136116 logGD-logG0= -0.009492 tlogG= -0.007413 logG= -0.016905 Density= 0.136648 ETOT(band)= -0.000808 trlgG= -0.019560 logG= -0.016905 TDE= -0.134917 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009551 tlogG= -0.006586 logG= -0.016137 Density= 0.137115 ETOT(band)= -0.000743 trlgG= -0.019010 logG= -0.016137 TDE= -0.135587 logGD-logG0= -0.009867 tlogG= -0.007308 logG= -0.017175 Density= 0.147585 ETOT(band)= 0.007953 trlgG= -0.011598 logG= -0.017175 TDE= -0.137271 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009883 tlogG= -0.006593 logG= -0.016477 logGD-logG0= -0.009516 tlogG= -0.006891 logG= -0.016407 Density= 0.143457 ETOT(band)= 0.004057 trlgG= -0.014623 logG= -0.016477 TDE= -0.136999 Density= 0.138625 ETOT(band)= 0.001351 trlgG= -0.017179 logG= -0.016407 TDE= -0.134947 logGD-logG0= -0.009814 tlogG= -0.007724 logG= -0.017537 Density= 0.148592 ETOT(band)= 0.009225 trlgG= -0.010682 logG= -0.017537 TDE= -0.136968 logGD-logG0= -0.009677 tlogG= -0.006439 logG= -0.016117 Density= 0.140382 ETOT(band)= 0.002257 trlgG= -0.016086 logG= -0.016117 TDE= -0.135845 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009528 tlogG= -0.007374 logG= -0.016902 Density= 0.136175 ETOT(band)= -0.001735 trlgG= -0.020640 logG= -0.016902 TDE= -0.135543 logGD-logG0= -0.004839 tlogG= -0.003115 logG= -0.007954 Density= 0.067276 ETOT(band)= -0.002134 trlgG= -0.011122 logG= -0.007954 TDE= -0.068285 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009636 tlogG= -0.006003 logG= -0.015639 Density= 0.137886 ETOT(band)= -0.000363 trlgG= -0.018156 logG= -0.015639 TDE= -0.135977 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009569 tlogG= -0.006902 logG= -0.016471 Density= 0.137974 ETOT(band)= -0.000015 trlgG= -0.018454 logG= -0.016471 TDE= -0.135529 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009612 tlogG= -0.005682 logG= -0.015294 Density= 0.136835 ETOT(band)= -0.000867 trlgG= -0.018352 logG= -0.015294 TDE= -0.135503 logGD-logG0= -0.009588 tlogG= -0.006687 logG= -0.016275 Density= 0.137348 ETOT(band)= -0.000926 trlgG= -0.019404 logG= -0.016275 TDE= -0.136070 logGD-logG0= -0.009660 tlogG= -0.005665 logG= -0.015325 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.133442 ETOT(band)= -0.004570 trlgG= -0.021875 logG= -0.015325 TDE= -0.135709 logGD-logG0= -0.009572 tlogG= -0.006911 logG= -0.016483 Density= 0.136935 ETOT(band)= -0.001484 trlgG= -0.020160 logG= -0.016483 TDE= -0.136217 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004838 tlogG= -0.002596 logG= -0.007434 Density= 0.065609 ETOT(band)= -0.003029 trlgG= -0.011431 logG= -0.007434 TDE= -0.067500 logGD-logG0= -0.009650 tlogG= -0.006207 logG= -0.015857 Density= 0.138491 ETOT(band)= 0.000203 trlgG= -0.017773 logG= -0.015857 TDE= -0.135962 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009770 tlogG= -0.006680 logG= -0.016449 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.143898 ETOT(band)= 0.005970 trlgG= -0.012674 logG= -0.016449 TDE= -0.135505 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009878 tlogG= -0.006674 logG= -0.016552 Density= 0.144902 ETOT(band)= 0.004973 trlgG= -0.013904 logG= -0.016552 TDE= -0.137603 logGD-logG0= -0.019269 tlogG= -0.012259 logG= -0.031527 Density= 0.277934 ETOT(band)= 0.001360 trlgG= -0.034584 logG= -0.031527 TDE= -0.272071 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019369 tlogG= -0.011583 logG= -0.030952 logGD-logG0= -0.019250 tlogG= -0.012109 logG= -0.031359 Density= 0.277596 ETOT(band)= 0.001325 trlgG= -0.034426 logG= -0.031359 TDE= -0.271754 Density= 0.275602 ETOT(band)= -0.000981 trlgG= -0.036189 logG= -0.030952 TDE= -0.271994 logGD-logG0= -0.019339 tlogG= -0.010962 logG= -0.030301 Density= 0.272002 ETOT(band)= -0.003873 trlgG= -0.038510 logG= -0.030301 TDE= -0.271481 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009682 tlogG= -0.006065 logG= -0.015747 Density= 0.135457 ETOT(band)= -0.003039 trlgG= -0.020851 logG= -0.015747 TDE= -0.136214 logGD-logG0= -0.019132 tlogG= -0.013822 logG= -0.032954 Density= 0.274019 ETOT(band)= -0.002364 trlgG= -0.039580 logG= -0.032954 TDE= -0.271851 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019785 tlogG= -0.012983 logG= -0.032768 Density= 0.287965 ETOT(band)= 0.008657 trlgG= -0.028645 logG= -0.032768 TDE= -0.274601 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019162 tlogG= -0.012516 logG= -0.031677 Density= 0.278604 ETOT(band)= 0.003748 trlgG= -0.032509 logG= -0.031677 TDE= -0.270495 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019156 tlogG= -0.011789 logG= -0.030945 Density= 0.276148 ETOT(band)= 0.001200 trlgG= -0.034017 logG= -0.030945 TDE= -0.270357 logGD-logG0= -0.004929 tlogG= -0.003656 logG= -0.008585 Density= 0.074615 ETOT(band)= 0.004285 trlgG= -0.005463 logG= -0.008585 TDE= -0.069099 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000392 tlogG= 0.008706 logG= 0.008314 Density= 0.005687 ETOT(band)= -0.000017 trlgG= 0.008222 logG= 0.008314 TDE= -0.005597 logGD-logG0= -0.009780 tlogG= -0.004872 logG= -0.014652 Density= 0.132523 ETOT(band)= -0.004890 trlgG= -0.021845 logG= -0.014652 TDE= -0.135463 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019529 tlogG= -0.012231 logG= -0.031760 Density= 0.282440 ETOT(band)= 0.005446 trlgG= -0.030809 logG= -0.031760 TDE= -0.272425 logGD-logG0= -0.019236 tlogG= -0.012412 logG= -0.031647 Density= 0.277614 ETOT(band)= 0.001621 trlgG= -0.034304 logG= -0.031647 TDE= -0.271361 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019383 tlogG= -0.010291 logG= -0.029674 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.266485 ETOT(band)= -0.008299 trlgG= -0.042154 logG= -0.029674 TDE= -0.270413 logGD-logG0= -0.009681 tlogG= -0.005495 logG= -0.015176 Density= 0.132978 ETOT(band)= -0.004987 trlgG= -0.022095 logG= -0.015176 TDE= -0.135629 logGD-logG0= -0.009764 tlogG= -0.005291 logG= -0.015055 Density= 0.140851 ETOT(band)= 0.002635 trlgG= -0.014625 logG= -0.015055 TDE= -0.135900 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019456 tlogG= -0.010634 logG= -0.030091 Density= 0.280190 ETOT(band)= 0.004324 trlgG= -0.030117 logG= -0.030091 TDE= -0.271224 logGD-logG0= -0.019058 tlogG= -0.013871 logG= -0.032929 Density= 0.274647 ETOT(band)= -0.000583 trlgG= -0.037412 logG= -0.032929 TDE= -0.270316 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019750 tlogG= -0.013083 logG= -0.032833 Density= 0.290725 ETOT(band)= 0.013641 trlgG= -0.023638 logG= -0.032833 TDE= -0.272200 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019389 tlogG= -0.011766 logG= -0.031155 Density= 0.269223 ETOT(band)= -0.007783 trlgG= -0.043086 logG= -0.031155 TDE= -0.272514 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019562 tlogG= -0.011289 logG= -0.030851 Density= 0.279984 ETOT(band)= 0.003109 trlgG= -0.032261 logG= -0.030851 TDE= -0.272408 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009880 tlogG= -0.006144 logG= -0.016025 Density= 0.145017 ETOT(band)= 0.006251 trlgG= -0.012028 logG= -0.016025 TDE= -0.136367 logGD-logG0= -0.019420 tlogG= -0.010718 logG= -0.030137 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.273188 ETOT(band)= -0.003313 trlgG= -0.037651 logG= -0.030137 TDE= -0.271934 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019652 tlogG= -0.012044 logG= -0.031696 Density= 0.281727 ETOT(band)= 0.003458 trlgG= -0.032636 logG= -0.031696 TDE= -0.273624 logGD-logG0= -0.019362 tlogG= -0.010716 logG= -0.030078 Density= 0.277620 ETOT(band)= 0.002721 trlgG= -0.032166 logG= -0.030078 TDE= -0.270798 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019434 tlogG= -0.010193 logG= -0.029627 Density= 0.269397 ETOT(band)= -0.006288 trlgG= -0.040082 logG= -0.029627 TDE= -0.271207 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009675 tlogG= -0.005190 logG= -0.014865 Density= 0.136208 ETOT(band)= -0.001843 trlgG= -0.018730 logG= -0.014865 TDE= -0.135703 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009700 tlogG= -0.005332 logG= -0.015032 Density= 0.137003 ETOT(band)= -0.001182 trlgG= -0.018384 logG= -0.015032 TDE= -0.135959 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009693 tlogG= -0.005539 logG= -0.015232 Density= 0.135585 ETOT(band)= -0.002748 trlgG= -0.019943 logG= -0.015232 TDE= -0.135945 logGD-logG0= -0.004851 tlogG= -0.002690 logG= -0.007541 Density= 0.068496 ETOT(band)= -0.000653 trlgG= -0.009252 logG= -0.007541 TDE= -0.068009 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009489 tlogG= -0.007814 logG= -0.017303 Density= 0.138022 ETOT(band)= 0.001110 trlgG= -0.018020 logG= -0.017303 TDE= -0.134309 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002463 tlogG= -0.001911 logG= -0.004374 Density= 0.036990 ETOT(band)= 0.002343 trlgG= -0.002593 logG= -0.004374 TDE= -0.034023 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002413 tlogG= -0.001996 logG= -0.004410 Density= 0.035841 ETOT(band)= 0.001498 trlgG= -0.003431 logG= -0.004410 TDE= -0.033712 logGD-logG0= -0.002361 tlogG= -0.002363 logG= -0.004724 Density= 0.034774 ETOT(band)= 0.000526 trlgG= -0.004675 logG= -0.004724 TDE= -0.033609 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009537 tlogG= -0.007457 logG= -0.016994 Density= 0.136897 ETOT(band)= -0.000255 trlgG= -0.019054 logG= -0.016994 TDE= -0.134564 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009506 tlogG= -0.008519 logG= -0.018025 Density= 0.140675 ETOT(band)= 0.003631 trlgG= -0.016408 logG= -0.018025 TDE= -0.134543 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009558 tlogG= -0.007417 logG= -0.016975 Density= 0.140898 ETOT(band)= 0.003919 trlgG= -0.015204 logG= -0.016975 TDE= -0.134605 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009471 tlogG= -0.008046 logG= -0.017517 Density= 0.138314 ETOT(band)= 0.001513 trlgG= -0.017837 logG= -0.017517 TDE= -0.134195 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004735 tlogG= -0.004064 logG= -0.008799 Density= 0.069748 ETOT(band)= 0.001340 trlgG= -0.008433 logG= -0.008799 TDE= -0.067143 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009592 tlogG= -0.006415 logG= -0.016007 Density= 0.136873 ETOT(band)= -0.000076 trlgG= -0.018177 logG= -0.016007 TDE= -0.134650 logGD-logG0= -0.009538 tlogG= -0.006961 logG= -0.016499 Density= 0.138953 ETOT(band)= 0.002302 trlgG= -0.016309 logG= -0.016499 TDE= -0.134304 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018984 tlogG= -0.015926 logG= -0.034909 Density= 0.279789 ETOT(band)= 0.006019 trlgG= -0.032896 logG= -0.034909 TDE= -0.268797 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009766 tlogG= -0.005002 logG= -0.014768 Density= 0.132161 ETOT(band)= -0.004532 trlgG= -0.021625 logG= -0.014768 TDE= -0.134776 logGD-logG0= -0.019347 tlogG= -0.013433 logG= -0.032781 logGD-logG0= -0.009437 tlogG= -0.009119 logG= -0.018556 Density= 0.285145 ETOT(band)= 0.010697 trlgG= -0.026669 logG= -0.032781 TDE= -0.269882 Density= 0.139196 ETOT(band)= 0.002226 trlgG= -0.018202 logG= -0.018556 TDE= -0.134375 logGD-logG0= -0.004823 tlogG= -0.002864 logG= -0.007687 Density= 0.068626 ETOT(band)= 0.000406 trlgG= -0.008454 logG= -0.007687 TDE= -0.067190 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009687 tlogG= -0.005388 logG= -0.015075 Density= 0.134664 ETOT(band)= -0.002193 trlgG= -0.019443 logG= -0.015075 TDE= -0.134710 logGD-logG0= -0.019089 tlogG= -0.014112 logG= -0.033202 Density= 0.276611 ETOT(band)= 0.002854 trlgG= -0.034490 logG= -0.033202 TDE= -0.269022 logGD-logG0= -0.009817 tlogG= -0.007297 logG= -0.017113 Density= 0.145183 ETOT(band)= 0.007492 trlgG= -0.011745 logG= -0.017113 TDE= -0.135156 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009891 tlogG= -0.006895 logG= -0.016786 Density= 0.146096 ETOT(band)= 0.008008 trlgG= -0.011037 logG= -0.016786 TDE= -0.135658 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009610 tlogG= -0.007629 logG= -0.017239 Density= 0.142565 ETOT(band)= 0.005399 trlgG= -0.013972 logG= -0.017239 TDE= -0.134722 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009777 tlogG= -0.005795 logG= -0.015572 Density= 0.142421 ETOT(band)= 0.005134 trlgG= -0.012909 logG= -0.015572 TDE= -0.135187 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019244 tlogG= -0.011850 logG= -0.031094 Density= 0.276887 ETOT(band)= 0.003403 trlgG= -0.032391 logG= -0.031094 TDE= -0.269298 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009577 tlogG= -0.006758 logG= -0.016335 Density= 0.140704 ETOT(band)= 0.003974 trlgG= -0.014621 logG= -0.016335 TDE= -0.134474 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003138 tlogG= 0.069769 logG= 0.066631 Density= 0.045628 ETOT(band)= -0.000003 trlgG= 0.066025 logG= 0.066631 TDE= -0.044769 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003164 tlogG= 0.070446 logG= 0.067282 logGD-logG0= -0.003146 tlogG= 0.070049 logG= 0.066903 Density= 0.046011 ETOT(band)= 0.000349 trlgG= 0.066680 logG= 0.066903 TDE= -0.044757 Density= 0.046091 ETOT(band)= 0.000459 trlgG= 0.067164 logG= 0.067282 TDE= -0.044730 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002354 tlogG= 0.052346 logG= 0.049992 Density= 0.034289 ETOT(band)= 0.000053 trlgG= 0.049601 logG= 0.049992 TDE= -0.033580 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009487 tlogG= 0.211215 logG= 0.201728 Density= 0.138964 ETOT(band)= 0.002029 trlgG= 0.201913 logG= 0.201728 TDE= -0.134318 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004708 tlogG= 0.104900 logG= 0.100192 Density= 0.068843 ETOT(band)= 0.000359 trlgG= 0.099677 logG= 0.100192 TDE= -0.067149 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009432 tlogG= 0.210159 logG= 0.200727 Density= 0.138021 ETOT(band)= 0.001098 trlgG= 0.200016 logG= 0.200727 TDE= -0.134302 logGD-logG0= -0.009468 tlogG= 0.210856 logG= 0.201388 Density= 0.138578 ETOT(band)= 0.001678 trlgG= 0.201251 logG= 0.201388 TDE= -0.134267 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.66466873817630 eV TrLogG= -11.8430903339862 eV Ratio to renormalize= 0.999999999840 rho-rho_expected= 0.000000002567 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 23) Finished k-point number 24 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 34) Finished k-point number 35 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 68) Finished k-point number 69 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 40) Finished k-point number 41 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 72) Finished k-point number 73 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 93) Finished k-point number 94 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933206865897079 0.930078362208097 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 17) Finished k-point number 18 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 18) Finished k-point number 19 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 38) Finished k-point number 39 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 68) Finished k-point number 69 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 86) Finished k-point number 87 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 77) Finished k-point number 78 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 41) Finished k-point number 42 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1690415594073 Density= 15.9997373967593 16.0000000000000 EF 13.4411553915209 Density= 16.5047925674433 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98790679 0.96790679 0.504793 -0.262603E-03 1 0.97790679 0.96790681 0.260932 -0.262603E-03 2 0.97290680 0.96790656 0.133341 -0.262603E-03 3 0.97040668 0.96790668 0.673856E-01 -0.262603E-03 4 0.96915668 0.96790662 0.337879E-01 -0.262603E-03 5 0.96853165 0.96790689 0.168195E-01 -0.262603E-03 6 0.96821927 0.96790652 0.829495E-02 -0.262603E-03 7 0.96806289 0.96790694 0.401627E-02 -0.262603E-03 8 0.96798492 0.96790649 0.187990E-02 -0.262603E-03 9 0.96794570 0.96790672 0.804818E-03 -0.262603E-03 10 0.96792621 0.96790660 0.270188E-03 -0.262603E-03 11 0.96791641 0.96790666 0.128221E-05 -0.262603E-03 12 0.96791636 0.96791641 -0.500079E-08 0.128221E-05 13 0.96791636 0.96791641 -0.355271E-14 0.128221E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0001302405 EF set to : 13.1691717999 new EF (no-mixing): 13.1691717999 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001226 tlogG= -0.001268 logG= -0.002494 Density= 0.018854 ETOT(band)= 0.000964 trlgG= -0.001803 logG= -0.002494 TDE= -0.017559 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002445 tlogG= -0.002441 logG= -0.004886 Density= 0.037660 ETOT(band)= 0.002025 trlgG= -0.003417 logG= -0.004886 TDE= -0.034983 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004889 tlogG= -0.004694 logG= -0.009583 Density= 0.075348 ETOT(band)= 0.004072 trlgG= -0.006618 logG= -0.009583 TDE= -0.069964 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009787 tlogG= -0.009679 logG= -0.019466 Density= 0.150739 ETOT(band)= 0.007976 trlgG= -0.013696 logG= -0.019466 TDE= -0.140134 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002450 tlogG= -0.002119 logG= -0.004569 Density= 0.037230 ETOT(band)= 0.002080 trlgG= -0.003103 logG= -0.004569 TDE= -0.034569 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001596 tlogG= -0.001322 logG= -0.002918 Density= 0.022648 ETOT(band)= -0.000494 trlgG= -0.003737 logG= -0.002918 TDE= -0.022741 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004908 tlogG= -0.004272 logG= -0.009180 Density= 0.075005 ETOT(band)= 0.004105 trlgG= -0.006255 logG= -0.009180 TDE= -0.069674 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009804 tlogG= -0.006851 logG= -0.016655 Density= 0.145588 ETOT(band)= 0.005524 trlgG= -0.013479 logG= -0.016655 TDE= -0.137742 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009822 tlogG= -0.008955 logG= -0.018777 Density= 0.150268 ETOT(band)= 0.008445 trlgG= -0.012646 logG= -0.018777 TDE= -0.139316 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019579 tlogG= -0.015102 logG= -0.034680 Density= 0.298286 ETOT(band)= 0.017657 trlgG= -0.021644 logG= -0.034680 TDE= -0.275680 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019616 tlogG= -0.016217 logG= -0.035833 Density= 0.299529 ETOT(band)= 0.016817 trlgG= -0.023743 logG= -0.035833 TDE= -0.277829 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009809 tlogG= -0.008219 logG= -0.018028 Density= 0.149700 ETOT(band)= 0.008458 trlgG= -0.011932 logG= -0.018028 TDE= -0.138802 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009572 tlogG= -0.007497 logG= -0.017068 Density= 0.136029 ETOT(band)= -0.002584 trlgG= -0.021746 logG= -0.017068 TDE= -0.136343 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003170 tlogG= -0.002567 logG= -0.005737 logGD-logG0= -0.003142 tlogG= -0.002622 logG= -0.005764 Density= 0.045657 ETOT(band)= -0.000044 trlgG= -0.006352 logG= -0.005764 TDE= -0.044780 Density= 0.045361 ETOT(band)= -0.000573 trlgG= -0.006933 logG= -0.005737 TDE= -0.045102 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009564 tlogG= -0.007413 logG= -0.016977 Density= 0.135890 ETOT(band)= -0.002537 trlgG= -0.021628 logG= -0.016977 TDE= -0.136180 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003188 tlogG= -0.002540 logG= -0.005728 Density= 0.045114 ETOT(band)= -0.000993 trlgG= -0.007417 logG= -0.005728 TDE= -0.045356 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009781 tlogG= -0.007962 logG= -0.017743 Density= 0.149240 ETOT(band)= 0.009050 trlgG= -0.011052 logG= -0.017743 TDE= -0.137760 logGD-logG0= -0.009814 tlogG= -0.008823 logG= -0.018636 Density= 0.149828 ETOT(band)= 0.008463 trlgG= -0.012541 logG= -0.018636 TDE= -0.138925 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009550 tlogG= -0.007339 logG= -0.016888 Density= 0.135939 ETOT(band)= -0.002144 trlgG= -0.021119 logG= -0.016888 TDE= -0.135808 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009807 tlogG= -0.006806 logG= -0.016613 Density= 0.147512 ETOT(band)= 0.007526 trlgG= -0.011449 logG= -0.016613 TDE= -0.137615 logGD-logG0= -0.009492 tlogG= -0.007415 logG= -0.016906 Density= 0.136648 ETOT(band)= -0.000807 trlgG= -0.019560 logG= -0.016906 TDE= -0.134918 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009868 tlogG= -0.007310 logG= -0.017178 Density= 0.147592 ETOT(band)= 0.007961 trlgG= -0.011593 logG= -0.017178 TDE= -0.137272 logGD-logG0= -0.009814 tlogG= -0.007724 logG= -0.017538 Density= 0.148591 ETOT(band)= 0.009225 trlgG= -0.010683 logG= -0.017538 TDE= -0.136969 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009516 tlogG= -0.006890 logG= -0.016405 Density= 0.138625 ETOT(band)= 0.001352 trlgG= -0.017176 logG= -0.016405 TDE= -0.134948 logGD-logG0= -0.009613 tlogG= -0.005681 logG= -0.015294 Density= 0.136837 ETOT(band)= -0.000864 trlgG= -0.018350 logG= -0.015294 TDE= -0.135503 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009660 tlogG= -0.005667 logG= -0.015327 logGD-logG0= -0.009770 tlogG= -0.006680 logG= -0.016450 Density= 0.143898 ETOT(band)= 0.005971 trlgG= -0.012674 logG= -0.016450 TDE= -0.135505 Density= 0.133441 ETOT(band)= -0.004570 trlgG= -0.021877 logG= -0.015327 TDE= -0.135709 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009528 tlogG= -0.007373 logG= -0.016901 Density= 0.136174 ETOT(band)= -0.001734 trlgG= -0.020639 logG= -0.016901 TDE= -0.135543 logGD-logG0= -0.004838 tlogG= -0.002594 logG= -0.007431 Density= 0.065605 ETOT(band)= -0.003032 trlgG= -0.011432 logG= -0.007431 TDE= -0.067500 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019131 tlogG= -0.013819 logG= -0.032950 Density= 0.274019 ETOT(band)= -0.002362 trlgG= -0.039574 logG= -0.032950 TDE= -0.271852 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019270 tlogG= -0.012259 logG= -0.031529 Density= 0.277937 ETOT(band)= 0.001366 trlgG= -0.034581 logG= -0.031529 TDE= -0.272072 logGD-logG0= -0.009878 tlogG= -0.006675 logG= -0.016553 Density= 0.144906 ETOT(band)= 0.004978 trlgG= -0.013900 logG= -0.016553 TDE= -0.137604 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019529 tlogG= -0.012231 logG= -0.031760 Density= 0.282444 ETOT(band)= 0.005451 trlgG= -0.030804 logG= -0.031760 TDE= -0.272426 logGD-logG0= -0.009682 tlogG= -0.006064 logG= -0.015746 Density= 0.135457 ETOT(band)= -0.003038 trlgG= -0.020849 logG= -0.015746 TDE= -0.136214 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019162 tlogG= -0.012516 logG= -0.031678 Density= 0.278603 ETOT(band)= 0.003749 trlgG= -0.032509 logG= -0.031678 TDE= -0.270496 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019058 tlogG= -0.013867 logG= -0.032925 Density= 0.274648 ETOT(band)= -0.000580 trlgG= -0.037405 logG= -0.032925 TDE= -0.270317 logGD-logG0= -0.019157 tlogG= -0.011791 logG= -0.030948 Density= 0.276152 ETOT(band)= 0.001207 trlgG= -0.034014 logG= -0.030948 TDE= -0.270358 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009569 tlogG= -0.006903 logG= -0.016471 Density= 0.137975 ETOT(band)= -0.000013 trlgG= -0.018453 logG= -0.016471 TDE= -0.135530 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009779 tlogG= -0.004870 logG= -0.014650 Density= 0.132518 ETOT(band)= -0.004894 trlgG= -0.021847 logG= -0.014650 TDE= -0.135463 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019786 tlogG= -0.012985 logG= -0.032770 Density= 0.287984 ETOT(band)= 0.008678 trlgG= -0.028627 logG= -0.032770 TDE= -0.274602 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019250 tlogG= -0.012108 logG= -0.031358 Density= 0.277595 ETOT(band)= 0.001326 trlgG= -0.034425 logG= -0.031358 TDE= -0.271756 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009679 tlogG= -0.005493 logG= -0.015172 logGD-logG0= -0.019750 tlogG= -0.013085 logG= -0.032835 Density= 0.290739 ETOT(band)= 0.013657 trlgG= -0.023625 logG= -0.032835 TDE= -0.272201 Density= 0.132976 ETOT(band)= -0.004988 trlgG= -0.022092 logG= -0.015172 TDE= -0.135629 logGD-logG0= -0.009580 tlogG= -0.006717 logG= -0.016297 Density= 0.137394 ETOT(band)= -0.000959 trlgG= -0.019426 logG= -0.016297 TDE= -0.136116 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009636 tlogG= -0.006003 logG= -0.015640 Density= 0.137886 ETOT(band)= -0.000362 trlgG= -0.018155 logG= -0.015640 TDE= -0.135978 logGD-logG0= -0.009588 tlogG= -0.006688 logG= -0.016276 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137348 ETOT(band)= -0.000926 trlgG= -0.019405 logG= -0.016276 TDE= -0.136070 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019456 tlogG= -0.010636 logG= -0.030093 Density= 0.280184 ETOT(band)= 0.004321 trlgG= -0.030123 logG= -0.030093 TDE= -0.271225 logGD-logG0= -0.019389 tlogG= -0.011765 logG= -0.031154 Density= 0.269220 ETOT(band)= -0.007784 trlgG= -0.043087 logG= -0.031154 TDE= -0.272515 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019435 tlogG= -0.010187 logG= -0.029622 Density= 0.269372 ETOT(band)= -0.006310 trlgG= -0.040100 logG= -0.029622 TDE= -0.271208 logGD-logG0= -0.019365 tlogG= -0.010717 logG= -0.030082 Density= 0.277614 ETOT(band)= 0.002717 trlgG= -0.032175 logG= -0.030082 TDE= -0.270800 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000392 tlogG= 0.008706 logG= 0.008314 logGD-logG0= -0.009677 tlogG= -0.006439 logG= -0.016116 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.140382 ETOT(band)= 0.002258 trlgG= -0.016084 logG= -0.016116 TDE= -0.135846 logGD-logG0= -0.009550 tlogG= -0.006585 logG= -0.016136 Density= 0.137114 ETOT(band)= -0.000743 trlgG= -0.019009 logG= -0.016136 TDE= -0.135588 Density= 0.005687 ETOT(band)= -0.000017 trlgG= 0.008222 logG= 0.008314 TDE= -0.005597 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009762 tlogG= -0.005290 logG= -0.015053 Density= 0.140847 ETOT(band)= 0.002631 trlgG= -0.014625 logG= -0.015053 TDE= -0.135901 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009880 tlogG= -0.006145 logG= -0.016025 Density= 0.145018 ETOT(band)= 0.006252 trlgG= -0.012028 logG= -0.016025 TDE= -0.136368 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019562 tlogG= -0.011289 logG= -0.030851 Density= 0.279988 ETOT(band)= 0.003115 trlgG= -0.032255 logG= -0.030851 TDE= -0.272410 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009572 tlogG= -0.006912 logG= -0.016484 Density= 0.136934 ETOT(band)= -0.001483 trlgG= -0.020161 logG= -0.016484 TDE= -0.136218 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009884 tlogG= -0.006593 logG= -0.016477 Density= 0.143458 ETOT(band)= 0.004059 trlgG= -0.014621 logG= -0.016477 TDE= -0.137000 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004929 tlogG= -0.003656 logG= -0.008585 Density= 0.074614 ETOT(band)= 0.004285 trlgG= -0.005464 logG= -0.008585 TDE= -0.069099 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009651 tlogG= -0.006208 logG= -0.015859 Density= 0.138491 ETOT(band)= 0.000205 trlgG= -0.017774 logG= -0.015859 TDE= -0.135962 logGD-logG0= -0.009676 tlogG= -0.005192 logG= -0.014869 Density= 0.136207 ETOT(band)= -0.001842 trlgG= -0.018735 logG= -0.014869 TDE= -0.135703 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019420 tlogG= -0.010718 logG= -0.030137 Density= 0.273188 ETOT(band)= -0.003310 trlgG= -0.037649 logG= -0.030137 TDE= -0.271935 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004851 tlogG= -0.002690 logG= -0.007541 Density= 0.068496 ETOT(band)= -0.000653 trlgG= -0.009252 logG= -0.007541 TDE= -0.068009 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004839 tlogG= -0.003116 logG= -0.007955 Density= 0.067275 ETOT(band)= -0.002134 trlgG= -0.011124 logG= -0.007955 TDE= -0.068285 logGD-logG0= -0.002463 tlogG= -0.001911 logG= -0.004374 Density= 0.036990 ETOT(band)= 0.002343 trlgG= -0.002594 logG= -0.004374 TDE= -0.034023 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009701 tlogG= -0.005332 logG= -0.015032 Density= 0.137003 ETOT(band)= -0.001181 trlgG= -0.018383 logG= -0.015032 TDE= -0.135959 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009537 tlogG= -0.007457 logG= -0.016994 Density= 0.136897 ETOT(band)= -0.000254 trlgG= -0.019053 logG= -0.016994 TDE= -0.134564 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019651 tlogG= -0.012042 logG= -0.031694 Density= 0.281721 ETOT(band)= 0.003453 trlgG= -0.032637 logG= -0.031694 TDE= -0.273626 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009558 tlogG= -0.007418 logG= -0.016976 Density= 0.140897 ETOT(band)= 0.003919 trlgG= -0.015205 logG= -0.016976 TDE= -0.134606 logGD-logG0= -0.009489 tlogG= -0.007814 logG= -0.017303 Density= 0.138021 ETOT(band)= 0.001111 trlgG= -0.018019 logG= -0.017303 TDE= -0.134309 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009471 tlogG= -0.008046 logG= -0.017517 logGD-logG0= -0.019382 tlogG= -0.010292 logG= -0.029673 Density= 0.138313 ETOT(band)= 0.001515 trlgG= -0.017836 logG= -0.017517 TDE= -0.134195 Density= 0.266495 ETOT(band)= -0.008288 trlgG= -0.042142 logG= -0.029673 TDE= -0.270414 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019340 tlogG= -0.010961 logG= -0.030300 Density= 0.271999 ETOT(band)= -0.003874 trlgG= -0.038510 logG= -0.030300 TDE= -0.271482 logGD-logG0= -0.004736 tlogG= -0.004061 logG= -0.008797 Density= 0.069749 ETOT(band)= 0.001342 trlgG= -0.008429 logG= -0.008797 TDE= -0.067143 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019237 tlogG= -0.012411 logG= -0.031648 Density= 0.277613 ETOT(band)= 0.001622 trlgG= -0.034304 logG= -0.031648 TDE= -0.271362 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009506 tlogG= -0.008519 logG= -0.018025 Density= 0.140675 ETOT(band)= 0.003631 trlgG= -0.016407 logG= -0.018025 TDE= -0.134544 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009591 tlogG= -0.006415 logG= -0.016006 Density= 0.136870 ETOT(band)= -0.000078 trlgG= -0.018178 logG= -0.016006 TDE= -0.134650 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009687 tlogG= -0.005388 logG= -0.015075 Density= 0.134666 ETOT(band)= -0.002190 trlgG= -0.019440 logG= -0.015075 TDE= -0.134710 logGD-logG0= -0.009537 tlogG= -0.006961 logG= -0.016498 logGD-logG0= -0.002361 tlogG= -0.002363 logG= -0.004724 Density= 0.034774 ETOT(band)= 0.000526 trlgG= -0.004675 logG= -0.004724 TDE= -0.033609 Density= 0.138953 ETOT(band)= 0.002303 trlgG= -0.016308 logG= -0.016498 TDE= -0.134304 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019369 tlogG= -0.011583 logG= -0.030952 Density= 0.275603 ETOT(band)= -0.000977 trlgG= -0.036186 logG= -0.030952 TDE= -0.271995 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004823 tlogG= -0.002863 logG= -0.007686 Density= 0.068627 ETOT(band)= 0.000408 trlgG= -0.008451 logG= -0.007686 TDE= -0.067191 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009766 tlogG= -0.005003 logG= -0.014770 Density= 0.132167 ETOT(band)= -0.004526 trlgG= -0.021620 logG= -0.014770 TDE= -0.134776 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002413 tlogG= -0.001996 logG= -0.004410 Density= 0.035841 ETOT(band)= 0.001499 trlgG= -0.003431 logG= -0.004410 TDE= -0.033712 logGD-logG0= -0.009891 tlogG= -0.006896 logG= -0.016787 Density= 0.146095 ETOT(band)= 0.008008 trlgG= -0.011037 logG= -0.016787 TDE= -0.135658 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019246 tlogG= -0.011852 logG= -0.031098 Density= 0.276889 ETOT(band)= 0.003408 trlgG= -0.032392 logG= -0.031098 TDE= -0.269299 logGD-logG0= -0.009777 tlogG= -0.005795 logG= -0.015572 Density= 0.142422 ETOT(band)= 0.005136 trlgG= -0.012907 logG= -0.015572 TDE= -0.135188 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009576 tlogG= -0.006758 logG= -0.016334 Density= 0.140706 ETOT(band)= 0.003976 trlgG= -0.014618 logG= -0.016334 TDE= -0.134475 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019089 tlogG= -0.014112 logG= -0.033201 Density= 0.276611 ETOT(band)= 0.002856 trlgG= -0.034487 logG= -0.033201 TDE= -0.269023 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009817 tlogG= -0.007297 logG= -0.017114 Density= 0.145183 ETOT(band)= 0.007493 trlgG= -0.011745 logG= -0.017114 TDE= -0.135156 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009437 tlogG= -0.009119 logG= -0.018556 Density= 0.139196 ETOT(band)= 0.002226 trlgG= -0.018201 logG= -0.018556 TDE= -0.134375 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003138 tlogG= 0.069770 logG= 0.066632 logGD-logG0= -0.003164 tlogG= 0.070447 logG= 0.067283 Density= 0.045628 ETOT(band)= -0.000003 trlgG= 0.066026 logG= 0.066632 TDE= -0.044769 Density= 0.046091 ETOT(band)= 0.000459 trlgG= 0.067165 logG= 0.067283 TDE= -0.044730 logGD-logG0= -0.019348 tlogG= -0.013433 logG= -0.032781 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Density= 0.285148 ETOT(band)= 0.010702 trlgG= -0.026665 logG= -0.032781 TDE= -0.269884 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003145 tlogG= 0.070050 logG= 0.066905 logGD-logG0= -0.002354 tlogG= 0.052346 logG= 0.049993 Density= 0.034289 ETOT(band)= 0.000053 trlgG= 0.049602 logG= 0.049993 TDE= -0.033580 Density= 0.046010 ETOT(band)= 0.000349 trlgG= 0.066682 logG= 0.066905 TDE= -0.044757 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009610 tlogG= -0.007629 logG= -0.017239 Density= 0.142565 ETOT(band)= 0.005400 trlgG= -0.013971 logG= -0.017239 TDE= -0.134723 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018984 tlogG= -0.015925 logG= -0.034909 Density= 0.279789 ETOT(band)= 0.006022 trlgG= -0.032894 logG= -0.034909 TDE= -0.268798 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009487 tlogG= 0.211217 logG= 0.201730 Density= 0.138964 ETOT(band)= 0.002029 trlgG= 0.201917 logG= 0.201730 TDE= -0.134319 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009432 tlogG= 0.210162 logG= 0.200730 Density= 0.138021 ETOT(band)= 0.001098 trlgG= 0.200020 logG= 0.200730 TDE= -0.134303 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009467 tlogG= 0.210859 logG= 0.201393 Density= 0.138578 ETOT(band)= 0.001678 trlgG= 0.201257 logG= 0.201393 TDE= -0.134268 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004708 tlogG= 0.104901 logG= 0.100193 Density= 0.068843 ETOT(band)= 0.000360 trlgG= 0.099678 logG= 0.100193 TDE= -0.067149 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009693 tlogG= -0.005539 logG= -0.015232 Density= 0.135587 ETOT(band)= -0.002746 trlgG= -0.019940 logG= -0.015232 TDE= -0.135945 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Sum of eigenvalues= 2.66617284710535 eV TrLogG= -11.8416702312745 eV Ratio to renormalize= 0.999999999736 rho-rho_expected= 0.000000004224 nargs= 1 argi=dmft2.def 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 30) Finished k-point number 31 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 44) Finished k-point number 45 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 59) Finished k-point number 60 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 55) Finished k-point number 56 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 92) Finished k-point number 93 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 91) Finished k-point number 92 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 76) Finished k-point number 77 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933255778478910 0.930099683866799 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 28) Finished k-point number 29 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 32) Finished k-point number 33 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 33) Finished k-point number 34 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 39) Finished k-point number 40 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 40) Finished k-point number 41 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1691717998610 Density= 16.0026379721341 16.0000000000000 EF 12.8970579677474 Density= 15.3739272746788 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96791636 0.94791636 0.263797E-02 -0.626073 1 0.96783244 0.94791636 0.339060E-03 -0.626073 2 0.96782007 0.96783244 -0.310420E-08 0.339060E-03 3 0.96782007 0.96782007 0.213163E-12 -0.310420E-08 Absolute convergence of |F(X)|. Difference in EF= -0.0013100478 EF set to : 13.1678617520 new EF (no-mixing): 13.1678617520 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001226 tlogG= -0.001268 logG= -0.002493 Density= 0.018856 ETOT(band)= 0.000964 trlgG= -0.001803 logG= -0.002493 TDE= -0.017559 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009786 tlogG= -0.009678 logG= -0.019464 Density= 0.150750 ETOT(band)= 0.007973 trlgG= -0.013695 logG= -0.019464 TDE= -0.140130 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002445 tlogG= -0.002441 logG= -0.004886 Density= 0.037663 ETOT(band)= 0.002024 trlgG= -0.003416 logG= -0.004886 TDE= -0.034982 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004889 tlogG= -0.004694 logG= -0.009583 Density= 0.075353 ETOT(band)= 0.004071 trlgG= -0.006617 logG= -0.009583 TDE= -0.069963 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002449 tlogG= -0.002119 logG= -0.004569 Density= 0.037233 ETOT(band)= 0.002080 trlgG= -0.003102 logG= -0.004569 TDE= -0.034568 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001596 tlogG= -0.001322 logG= -0.002918 Density= 0.022650 ETOT(band)= -0.000495 trlgG= -0.003738 logG= -0.002918 TDE= -0.022741 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004907 tlogG= -0.004272 logG= -0.009179 Density= 0.075011 ETOT(band)= 0.004104 trlgG= -0.006254 logG= -0.009179 TDE= -0.069672 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009813 tlogG= -0.008823 logG= -0.018636 Density= 0.149841 ETOT(band)= 0.008463 trlgG= -0.012539 logG= -0.018636 TDE= -0.138923 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009804 tlogG= -0.006851 logG= -0.016655 Density= 0.145578 ETOT(band)= 0.005500 trlgG= -0.013501 logG= -0.016655 TDE= -0.137739 logGD-logG0= -0.009808 tlogG= -0.008218 logG= -0.018026 Density= 0.149711 ETOT(band)= 0.008456 trlgG= -0.011932 logG= -0.018026 TDE= -0.138799 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009781 tlogG= -0.007961 logG= -0.017742 Density= 0.149252 ETOT(band)= 0.009048 trlgG= -0.011051 logG= -0.017742 TDE= -0.137758 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009821 tlogG= -0.008954 logG= -0.018776 Density= 0.150279 ETOT(band)= 0.008442 trlgG= -0.012645 logG= -0.018776 TDE= -0.139313 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019615 tlogG= -0.016215 logG= -0.035830 Density= 0.299553 ETOT(band)= 0.016812 trlgG= -0.023740 logG= -0.035830 TDE= -0.277824 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019578 tlogG= -0.015101 logG= -0.034679 Density= 0.298311 ETOT(band)= 0.017654 trlgG= -0.021642 logG= -0.034679 TDE= -0.275675 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009807 tlogG= -0.006805 logG= -0.016612 Density= 0.147520 ETOT(band)= 0.007521 trlgG= -0.011452 logG= -0.016612 TDE= -0.137613 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003187 tlogG= -0.002539 logG= -0.005726 Density= 0.045116 ETOT(band)= -0.000997 trlgG= -0.007418 logG= -0.005726 TDE= -0.045356 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003141 tlogG= -0.002622 logG= -0.005764 Density= 0.045658 ETOT(band)= -0.000047 trlgG= -0.006355 logG= -0.005764 TDE= -0.044781 logGD-logG0= -0.003170 tlogG= -0.002568 logG= -0.005737 Density= 0.045363 ETOT(band)= -0.000576 trlgG= -0.006936 logG= -0.005737 TDE= -0.045102 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009571 tlogG= -0.007496 logG= -0.017067 Density= 0.136035 ETOT(band)= -0.002593 trlgG= -0.021752 logG= -0.017067 TDE= -0.136342 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009564 tlogG= -0.007413 logG= -0.016977 Density= 0.135896 ETOT(band)= -0.002546 trlgG= -0.021634 logG= -0.016977 TDE= -0.136180 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009550 tlogG= -0.007343 logG= -0.016893 Density= 0.135945 ETOT(band)= -0.002152 trlgG= -0.021130 logG= -0.016893 TDE= -0.135807 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009867 tlogG= -0.007307 logG= -0.017174 logGD-logG0= -0.009580 tlogG= -0.006717 logG= -0.016297 Density= 0.147593 ETOT(band)= 0.007948 trlgG= -0.011600 logG= -0.017174 TDE= -0.137270 Density= 0.137397 ETOT(band)= -0.000969 trlgG= -0.019436 logG= -0.016297 TDE= -0.136115 logGD-logG0= -0.009492 tlogG= -0.007415 logG= -0.016906 logGD-logG0= -0.009551 tlogG= -0.006585 logG= -0.016136 Density= 0.136653 ETOT(band)= -0.000817 trlgG= -0.019569 logG= -0.016906 TDE= -0.134917 Density= 0.137118 ETOT(band)= -0.000753 trlgG= -0.019017 logG= -0.016136 TDE= -0.135587 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009813 tlogG= -0.007723 logG= -0.017536 Density= 0.148601 ETOT(band)= 0.009221 trlgG= -0.010683 logG= -0.017536 TDE= -0.136966 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009883 tlogG= -0.006593 logG= -0.016476 Density= 0.143450 ETOT(band)= 0.004037 trlgG= -0.014640 logG= -0.016476 TDE= -0.136998 logGD-logG0= -0.009528 tlogG= -0.007374 logG= -0.016901 Density= 0.136180 ETOT(band)= -0.001743 trlgG= -0.020646 logG= -0.016901 TDE= -0.135543 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009677 tlogG= -0.006439 logG= -0.016116 Density= 0.140378 ETOT(band)= 0.002240 trlgG= -0.016101 logG= -0.016116 TDE= -0.135845 logGD-logG0= -0.009569 tlogG= -0.006901 logG= -0.016470 Density= 0.137978 ETOT(band)= -0.000025 trlgG= -0.018462 logG= -0.016470 TDE= -0.135529 logGD-logG0= -0.009588 tlogG= -0.006687 logG= -0.016275 Density= 0.137351 ETOT(band)= -0.000936 trlgG= -0.019413 logG= -0.016275 TDE= -0.136069 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009636 tlogG= -0.006003 logG= -0.015639 logGD-logG0= -0.004838 tlogG= -0.002597 logG= -0.007435 Density= 0.065613 ETOT(band)= -0.003031 trlgG= -0.011434 logG= -0.007435 TDE= -0.067500 Density= 0.137884 ETOT(band)= -0.000377 trlgG= -0.018168 logG= -0.015639 TDE= -0.135977 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004839 tlogG= -0.003118 logG= -0.007956 Density= 0.067283 ETOT(band)= -0.002133 trlgG= -0.011124 logG= -0.007956 TDE= -0.068285 logGD-logG0= -0.009770 tlogG= -0.006680 logG= -0.016449 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.143901 ETOT(band)= 0.005960 trlgG= -0.012683 logG= -0.016449 TDE= -0.135504 logGD-logG0= -0.009682 tlogG= -0.006066 logG= -0.015748 Density= 0.135459 ETOT(band)= -0.003051 trlgG= -0.020862 logG= -0.015748 TDE= -0.136214 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009650 tlogG= -0.006208 logG= -0.015858 logGD-logG0= -0.009516 tlogG= -0.006888 logG= -0.016403 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138627 ETOT(band)= 0.001340 trlgG= -0.017185 logG= -0.016403 TDE= -0.134947 Density= 0.138488 ETOT(band)= 0.000188 trlgG= -0.017787 logG= -0.015858 TDE= -0.135961 logGD-logG0= -0.009660 tlogG= -0.005667 logG= -0.015326 Density= 0.133449 ETOT(band)= -0.004576 trlgG= -0.021881 logG= -0.015326 TDE= -0.135709 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009611 tlogG= -0.005681 logG= -0.015292 Density= 0.136831 ETOT(band)= -0.000885 trlgG= -0.018367 logG= -0.015292 TDE= -0.135502 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009571 tlogG= -0.006909 logG= -0.016480 Density= 0.136935 ETOT(band)= -0.001497 trlgG= -0.020168 logG= -0.016480 TDE= -0.136217 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009878 tlogG= -0.006675 logG= -0.016553 Density= 0.144899 ETOT(band)= 0.004958 trlgG= -0.013918 logG= -0.016553 TDE= -0.137602 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019268 tlogG= -0.012261 logG= -0.031529 Density= 0.277931 ETOT(band)= 0.001331 trlgG= -0.034612 logG= -0.031529 TDE= -0.272070 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019131 tlogG= -0.013822 logG= -0.032952 Density= 0.274026 ETOT(band)= -0.002384 trlgG= -0.039595 logG= -0.032952 TDE= -0.271851 logGD-logG0= -0.019161 tlogG= -0.012517 logG= -0.031678 Density= 0.278599 ETOT(band)= 0.003716 trlgG= -0.032538 logG= -0.031678 TDE= -0.270494 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019382 tlogG= -0.010292 logG= -0.029673 Density= 0.266457 ETOT(band)= -0.008353 trlgG= -0.042204 logG= -0.029673 TDE= -0.270413 logGD-logG0= -0.019784 tlogG= -0.012985 logG= -0.032769 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.287966 ETOT(band)= 0.008632 trlgG= -0.028668 logG= -0.032769 TDE= -0.274598 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019249 tlogG= -0.012108 logG= -0.031357 Density= 0.277593 ETOT(band)= 0.001297 trlgG= -0.034450 logG= -0.031357 TDE= -0.271753 logGD-logG0= -0.019236 tlogG= -0.012409 logG= -0.031645 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.277611 ETOT(band)= 0.001592 trlgG= -0.034328 logG= -0.031645 TDE= -0.271361 logGD-logG0= -0.019339 tlogG= -0.010962 logG= -0.030300 Density= 0.271994 ETOT(band)= -0.003907 trlgG= -0.038539 logG= -0.030300 TDE= -0.271481 logGD-logG0= -0.019529 tlogG= -0.012227 logG= -0.031756 Density= 0.282422 ETOT(band)= 0.005404 trlgG= -0.030845 logG= -0.031756 TDE= -0.272423 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019750 tlogG= -0.013083 logG= -0.032833 Density= 0.290734 ETOT(band)= 0.013625 trlgG= -0.023653 logG= -0.032833 TDE= -0.272198 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019158 tlogG= -0.011794 logG= -0.030952 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019369 tlogG= -0.011586 logG= -0.030955 Density= 0.276157 ETOT(band)= 0.001184 trlgG= -0.034038 logG= -0.030952 TDE= -0.270357 Density= 0.275590 ETOT(band)= -0.001017 trlgG= -0.036227 logG= -0.030955 TDE= -0.271993 logGD-logG0= -0.009779 tlogG= -0.004872 logG= -0.014651 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.132495 ETOT(band)= -0.004929 trlgG= -0.021882 logG= -0.014651 TDE= -0.135463 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004929 tlogG= -0.003655 logG= -0.008584 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.074619 ETOT(band)= 0.004282 trlgG= -0.005464 logG= -0.008584 TDE= -0.069098 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000392 tlogG= 0.008705 logG= 0.008313 Density= 0.005687 ETOT(band)= -0.000018 trlgG= 0.008220 logG= 0.008313 TDE= -0.005597 logGD-logG0= -0.019059 tlogG= -0.013873 logG= -0.032933 Density= 0.274654 ETOT(band)= -0.000602 trlgG= -0.037433 logG= -0.032933 TDE= -0.270316 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019388 tlogG= -0.011767 logG= -0.031155 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.269229 ETOT(band)= -0.007804 trlgG= -0.043103 logG= -0.031155 TDE= -0.272514 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009679 tlogG= -0.005493 logG= -0.015173 logGD-logG0= -0.019456 tlogG= -0.010640 logG= -0.030096 Density= 0.132974 ETOT(band)= -0.005004 trlgG= -0.022107 logG= -0.015173 TDE= -0.135629 Density= 0.280186 ETOT(band)= 0.004295 trlgG= -0.030149 logG= -0.030096 TDE= -0.271223 logGD-logG0= -0.019367 tlogG= -0.010720 logG= -0.030087 Density= 0.277618 ETOT(band)= 0.002696 trlgG= -0.032200 logG= -0.030087 TDE= -0.270797 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009763 tlogG= -0.005291 logG= -0.015053 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.140841 ETOT(band)= 0.002611 trlgG= -0.014645 logG= -0.015053 TDE= -0.135900 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019434 tlogG= -0.010194 logG= -0.029628 logGD-logG0= -0.019561 tlogG= -0.011290 logG= -0.030851 Density= 0.279968 ETOT(band)= 0.003068 trlgG= -0.032299 logG= -0.030851 TDE= -0.272407 Density= 0.269381 ETOT(band)= -0.006330 trlgG= -0.040122 logG= -0.029628 TDE= -0.271206 logGD-logG0= -0.009880 tlogG= -0.006144 logG= -0.016024 Density= 0.145015 ETOT(band)= 0.006236 trlgG= -0.012042 logG= -0.016024 TDE= -0.136366 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019419 tlogG= -0.010717 logG= -0.030136 Density= 0.273171 ETOT(band)= -0.003355 trlgG= -0.037689 logG= -0.030136 TDE= -0.271934 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019648 tlogG= -0.012040 logG= -0.031688 Density= 0.281681 ETOT(band)= 0.003388 trlgG= -0.032694 logG= -0.031688 TDE= -0.273622 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004851 tlogG= -0.002690 logG= -0.007542 Density= 0.068496 ETOT(band)= -0.000660 trlgG= -0.009258 logG= -0.007542 TDE= -0.068009 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009692 tlogG= -0.005540 logG= -0.015232 Density= 0.135586 ETOT(band)= -0.002761 trlgG= -0.019954 logG= -0.015232 TDE= -0.135945 logGD-logG0= -0.009677 tlogG= -0.005193 logG= -0.014871 Density= 0.136207 ETOT(band)= -0.001856 trlgG= -0.018749 logG= -0.014871 TDE= -0.135703 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009700 tlogG= -0.005332 logG= -0.015033 Density= 0.137001 ETOT(band)= -0.001198 trlgG= -0.018399 logG= -0.015033 TDE= -0.135958 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002463 tlogG= -0.001911 logG= -0.004373 Density= 0.036991 ETOT(band)= 0.002341 trlgG= -0.002595 logG= -0.004373 TDE= -0.034022 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002361 tlogG= -0.002363 logG= -0.004724 Density= 0.034774 ETOT(band)= 0.000523 trlgG= -0.004678 logG= -0.004724 TDE= -0.033609 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002413 tlogG= -0.001996 logG= -0.004410 logGD-logG0= -0.009471 tlogG= -0.008046 logG= -0.017517 Density= 0.035840 ETOT(band)= 0.001494 trlgG= -0.003435 logG= -0.004410 TDE= -0.033712 Density= 0.138316 ETOT(band)= 0.001502 trlgG= -0.017848 logG= -0.017517 TDE= -0.134195 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009537 tlogG= -0.007459 logG= -0.016996 Density= 0.136902 ETOT(band)= -0.000265 trlgG= -0.019064 logG= -0.016996 TDE= -0.134564 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009490 tlogG= -0.007815 logG= -0.017304 Density= 0.138024 ETOT(band)= 0.001099 trlgG= -0.018031 logG= -0.017304 TDE= -0.134309 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009558 tlogG= -0.007419 logG= -0.016977 Density= 0.140895 ETOT(band)= 0.003903 trlgG= -0.015221 logG= -0.016977 TDE= -0.134605 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009590 tlogG= -0.006414 logG= -0.016004 Density= 0.136874 ETOT(band)= -0.000089 trlgG= -0.018184 logG= -0.016004 TDE= -0.134650 logGD-logG0= -0.004735 tlogG= -0.004060 logG= -0.008795 Density= 0.069749 ETOT(band)= 0.001335 trlgG= -0.008434 logG= -0.008795 TDE= -0.067143 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009817 tlogG= -0.007296 logG= -0.017113 Density= 0.145182 ETOT(band)= 0.007478 trlgG= -0.011758 logG= -0.017113 TDE= -0.135155 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009506 tlogG= -0.008520 logG= -0.018025 Density= 0.140675 ETOT(band)= 0.003616 trlgG= -0.016421 logG= -0.018025 TDE= -0.134544 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009537 tlogG= -0.006962 logG= -0.016499 Density= 0.138954 ETOT(band)= 0.002288 trlgG= -0.016321 logG= -0.016499 TDE= -0.134304 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009688 tlogG= -0.005390 logG= -0.015077 Density= 0.134669 ETOT(band)= -0.002200 trlgG= -0.019452 logG= -0.015077 TDE= -0.134710 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018984 tlogG= -0.015926 logG= -0.034910 Density= 0.279789 ETOT(band)= 0.005992 trlgG= -0.032922 logG= -0.034910 TDE= -0.268797 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004822 tlogG= -0.002864 logG= -0.007686 Density= 0.068629 ETOT(band)= 0.000402 trlgG= -0.008455 logG= -0.007686 TDE= -0.067190 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019347 tlogG= -0.013433 logG= -0.032779 Density= 0.285138 ETOT(band)= 0.010663 trlgG= -0.026699 logG= -0.032779 TDE= -0.269881 logGD-logG0= -0.009437 tlogG= -0.009120 logG= -0.018557 Density= 0.139198 ETOT(band)= 0.002213 trlgG= -0.018214 logG= -0.018557 TDE= -0.134376 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009765 tlogG= -0.005003 logG= -0.014768 Density= 0.132147 ETOT(band)= -0.004559 trlgG= -0.021650 logG= -0.014768 TDE= -0.134776 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009610 tlogG= -0.007629 logG= -0.017239 Density= 0.142562 ETOT(band)= 0.005383 trlgG= -0.013987 logG= -0.017239 TDE= -0.134722 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009891 tlogG= -0.006895 logG= -0.016786 Density= 0.146098 ETOT(band)= 0.007997 trlgG= -0.011046 logG= -0.016786 TDE= -0.135657 logGD-logG0= -0.009776 tlogG= -0.005795 logG= -0.015571 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.142413 ETOT(band)= 0.005114 trlgG= -0.012927 logG= -0.015571 TDE= -0.135186 logGD-logG0= -0.019091 tlogG= -0.014114 logG= -0.033205 Density= 0.276615 ETOT(band)= 0.002832 trlgG= -0.034513 logG= -0.033205 TDE= -0.269022 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009576 tlogG= -0.006759 logG= -0.016335 Density= 0.140701 ETOT(band)= 0.003958 trlgG= -0.014636 logG= -0.016335 TDE= -0.134474 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019247 tlogG= -0.011855 logG= -0.031102 Density= 0.276890 ETOT(band)= 0.003381 trlgG= -0.032420 logG= -0.031102 TDE= -0.269298 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003164 tlogG= 0.070439 logG= 0.067275 Density= 0.046092 ETOT(band)= 0.000455 trlgG= 0.067153 logG= 0.067275 TDE= -0.044730 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003138 tlogG= 0.069762 logG= 0.066624 Density= 0.045629 ETOT(band)= -0.000007 trlgG= 0.066016 logG= 0.066624 TDE= -0.044770 logGD-logG0= -0.003146 tlogG= 0.070042 logG= 0.066897 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Density= 0.046012 ETOT(band)= 0.000345 trlgG= 0.066670 logG= 0.066897 TDE= -0.044757 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004708 tlogG= 0.104890 logG= 0.100182 Density= 0.068845 ETOT(band)= 0.000354 trlgG= 0.099662 logG= 0.100182 TDE= -0.067150 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009432 tlogG= 0.210139 logG= 0.200707 Density= 0.138024 ETOT(band)= 0.001087 trlgG= 0.199987 logG= 0.200707 TDE= -0.134303 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002354 tlogG= 0.052341 logG= 0.049987 Density= 0.034290 ETOT(band)= 0.000050 trlgG= 0.049594 logG= 0.049987 TDE= -0.033580 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009466 tlogG= 0.210837 logG= 0.201371 Density= 0.138580 ETOT(band)= 0.001665 trlgG= 0.201224 logG= 0.201371 TDE= -0.134268 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009487 tlogG= 0.211195 logG= 0.201709 Density= 0.138966 ETOT(band)= 0.002016 trlgG= 0.201883 logG= 0.201709 TDE= -0.134319 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.64426477126725 eV TrLogG= -11.8625903225394 eV Ratio to renormalize= 0.999999999736 rho-rho_expected= 0.000000004224 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 58) Finished k-point number 59 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 55) Finished k-point number 56 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 31) Finished k-point number 32 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 90) Finished k-point number 91 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 85) Finished k-point number 86 1 with #bands= 20 72) Finished k-point number 73 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 91) Finished k-point number 92 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933235556784853 0.930071457744430 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 1) Finished k-point number 2 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 26 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 16) Finished k-point number 17 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 68) Finished k-point number 69 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1678617520365 Density= 15.9971248089872 16.0000000000000 EF 13.4399755841501 Density= 16.5024222170520 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98782007 0.96782007 0.502422 -0.287519E-02 1 0.97782007 0.96782009 0.258503 -0.287519E-02 2 0.97282008 0.96781984 0.130832 -0.287519E-02 3 0.97031996 0.96781997 0.648293E-01 -0.287519E-02 4 0.96906997 0.96781991 0.312049E-01 -0.287519E-02 5 0.96844494 0.96781970 0.142221E-01 -0.287519E-02 6 0.96813232 0.96781980 0.568351E-02 -0.287519E-02 7 0.96797606 0.96781999 0.140427E-02 -0.287519E-02 8 0.96792485 0.96781999 0.616998E-07 -0.287519E-02 9 0.96792484 0.96792485 -0.162768E-10 0.616998E-07 Absolute convergence of |F(X)|. Difference in EF= 0.0014254667 EF set to : 13.1692872187 new EF (no-mixing): 13.1692872187 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001226 tlogG= -0.001268 logG= -0.002494 Density= 0.018855 ETOT(band)= 0.000964 trlgG= -0.001803 logG= -0.002494 TDE= -0.017559 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009787 tlogG= -0.009678 logG= -0.019465 Density= 0.150740 ETOT(band)= 0.007977 trlgG= -0.013695 logG= -0.019465 TDE= -0.140135 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002445 tlogG= -0.002441 logG= -0.004886 Density= 0.037661 ETOT(band)= 0.002025 trlgG= -0.003416 logG= -0.004886 TDE= -0.034983 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004889 tlogG= -0.004694 logG= -0.009583 Density= 0.075348 ETOT(band)= 0.004073 trlgG= -0.006617 logG= -0.009583 TDE= -0.069965 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002450 tlogG= -0.002119 logG= -0.004569 Density= 0.037230 ETOT(band)= 0.002080 trlgG= -0.003102 logG= -0.004569 TDE= -0.034569 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009813 tlogG= -0.008823 logG= -0.018636 Density= 0.149829 ETOT(band)= 0.008464 trlgG= -0.012540 logG= -0.018636 TDE= -0.138927 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001596 tlogG= -0.001322 logG= -0.002918 Density= 0.022649 ETOT(band)= -0.000494 trlgG= -0.003737 logG= -0.002918 TDE= -0.022741 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009804 tlogG= -0.006851 logG= -0.016655 Density= 0.145585 ETOT(band)= 0.005521 trlgG= -0.013483 logG= -0.016655 TDE= -0.137743 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004908 tlogG= -0.004272 logG= -0.009180 Density= 0.075006 ETOT(band)= 0.004106 trlgG= -0.006254 logG= -0.009180 TDE= -0.069674 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009809 tlogG= -0.008218 logG= -0.018027 Density= 0.149700 ETOT(band)= 0.008458 trlgG= -0.011931 logG= -0.018027 TDE= -0.138803 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009822 tlogG= -0.008955 logG= -0.018776 Density= 0.150269 ETOT(band)= 0.008445 trlgG= -0.012645 logG= -0.018776 TDE= -0.139317 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019616 tlogG= -0.016216 logG= -0.035832 Density= 0.299531 ETOT(band)= 0.016818 trlgG= -0.023741 logG= -0.035832 TDE= -0.277832 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009781 tlogG= -0.007962 logG= -0.017743 Density= 0.149241 ETOT(band)= 0.009050 trlgG= -0.011051 logG= -0.017743 TDE= -0.137762 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019578 tlogG= -0.015101 logG= -0.034679 Density= 0.298288 ETOT(band)= 0.017659 trlgG= -0.021641 logG= -0.034679 TDE= -0.275683 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009807 tlogG= -0.006806 logG= -0.016613 Density= 0.147511 ETOT(band)= 0.007526 trlgG= -0.011450 logG= -0.016613 TDE= -0.137617 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003188 tlogG= -0.002539 logG= -0.005727 logGD-logG0= -0.003141 tlogG= -0.002622 logG= -0.005763 Density= 0.045657 ETOT(band)= -0.000044 trlgG= -0.006352 logG= -0.005763 TDE= -0.044781 Density= 0.045114 ETOT(band)= -0.000994 trlgG= -0.007416 logG= -0.005727 TDE= -0.045356 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003169 tlogG= -0.002567 logG= -0.005736 Density= 0.045361 ETOT(band)= -0.000573 trlgG= -0.006932 logG= -0.005736 TDE= -0.045102 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009564 tlogG= -0.007412 logG= -0.016975 Density= 0.135890 ETOT(band)= -0.002538 trlgG= -0.021626 logG= -0.016975 TDE= -0.136182 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009571 tlogG= -0.007495 logG= -0.017066 Density= 0.136028 ETOT(band)= -0.002585 trlgG= -0.021744 logG= -0.017066 TDE= -0.136344 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009550 tlogG= -0.007342 logG= -0.016891 Density= 0.135940 ETOT(band)= -0.002143 trlgG= -0.021121 logG= -0.016891 TDE= -0.135809 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009492 tlogG= -0.007412 logG= -0.016904 Density= 0.136648 ETOT(band)= -0.000807 trlgG= -0.019558 logG= -0.016904 TDE= -0.134919 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009868 tlogG= -0.007309 logG= -0.017176 Density= 0.147589 ETOT(band)= 0.007957 trlgG= -0.011595 logG= -0.017176 TDE= -0.137273 logGD-logG0= -0.009580 tlogG= -0.006717 logG= -0.016297 logGD-logG0= -0.009528 tlogG= -0.007374 logG= -0.016902 Density= 0.136175 ETOT(band)= -0.001734 trlgG= -0.020640 logG= -0.016902 TDE= -0.135545 Density= 0.137395 ETOT(band)= -0.000958 trlgG= -0.019426 logG= -0.016297 TDE= -0.136118 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009814 tlogG= -0.007724 logG= -0.017538 Density= 0.148593 ETOT(band)= 0.009226 trlgG= -0.010681 logG= -0.017538 TDE= -0.136970 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009678 tlogG= -0.006439 logG= -0.016117 Density= 0.140383 ETOT(band)= 0.002259 trlgG= -0.016084 logG= -0.016117 TDE= -0.135848 logGD-logG0= -0.009569 tlogG= -0.006900 logG= -0.016468 Density= 0.137975 ETOT(band)= -0.000014 trlgG= -0.018451 logG= -0.016468 TDE= -0.135532 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009551 tlogG= -0.006586 logG= -0.016137 Density= 0.137115 ETOT(band)= -0.000742 trlgG= -0.019010 logG= -0.016137 TDE= -0.135589 logGD-logG0= -0.009884 tlogG= -0.006594 logG= -0.016477 Density= 0.143459 ETOT(band)= 0.004059 trlgG= -0.014621 logG= -0.016477 TDE= -0.137001 logGD-logG0= -0.009587 tlogG= -0.006687 logG= -0.016275 Density= 0.137348 ETOT(band)= -0.000926 trlgG= -0.019404 logG= -0.016275 TDE= -0.136072 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009636 tlogG= -0.006003 logG= -0.015639 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137885 ETOT(band)= -0.000363 trlgG= -0.018155 logG= -0.015639 TDE= -0.135979 logGD-logG0= -0.009660 tlogG= -0.005666 logG= -0.015326 Density= 0.133439 ETOT(band)= -0.004573 trlgG= -0.021878 logG= -0.015326 TDE= -0.135711 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009769 tlogG= -0.006680 logG= -0.016449 Density= 0.143897 ETOT(band)= 0.005969 trlgG= -0.012674 logG= -0.016449 TDE= -0.135507 logGD-logG0= -0.004839 tlogG= -0.003116 logG= -0.007954 Density= 0.067275 ETOT(band)= -0.002134 trlgG= -0.011123 logG= -0.007954 TDE= -0.068286 logGD-logG0= -0.009516 tlogG= -0.006891 logG= -0.016407 logGD-logG0= -0.009682 tlogG= -0.006065 logG= -0.015747 Density= 0.138625 ETOT(band)= 0.001351 trlgG= -0.017179 logG= -0.016407 TDE= -0.134950 Density= 0.135457 ETOT(band)= -0.003039 trlgG= -0.020851 logG= -0.015747 TDE= -0.136216 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004838 tlogG= -0.002596 logG= -0.007434 Density= 0.065607 ETOT(band)= -0.003031 trlgG= -0.011433 logG= -0.007434 TDE= -0.067501 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009613 tlogG= -0.005682 logG= -0.015295 Density= 0.136838 ETOT(band)= -0.000864 trlgG= -0.018351 logG= -0.015295 TDE= -0.135505 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009650 tlogG= -0.006207 logG= -0.015858 Density= 0.138489 ETOT(band)= 0.000203 trlgG= -0.017774 logG= -0.015858 TDE= -0.135964 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009572 tlogG= -0.006911 logG= -0.016483 Density= 0.136934 ETOT(band)= -0.001484 trlgG= -0.020161 logG= -0.016483 TDE= -0.136219 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019785 tlogG= -0.012984 logG= -0.032769 Density= 0.287972 ETOT(band)= 0.008665 trlgG= -0.028638 logG= -0.032769 TDE= -0.274605 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019130 tlogG= -0.013819 logG= -0.032949 Density= 0.274019 ETOT(band)= -0.002364 trlgG= -0.039575 logG= -0.032949 TDE= -0.271855 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009878 tlogG= -0.006675 logG= -0.016553 Density= 0.144906 ETOT(band)= 0.004978 trlgG= -0.013900 logG= -0.016553 TDE= -0.137606 logGD-logG0= -0.019247 tlogG= -0.012105 logG= -0.031352 Density= 0.277587 ETOT(band)= 0.001316 trlgG= -0.034427 logG= -0.031352 TDE= -0.271759 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019339 tlogG= -0.010961 logG= -0.030300 Density= 0.272001 ETOT(band)= -0.003874 trlgG= -0.038509 logG= -0.030300 TDE= -0.271485 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019269 tlogG= -0.012260 logG= -0.031528 Density= 0.277935 ETOT(band)= 0.001363 trlgG= -0.034583 logG= -0.031528 TDE= -0.272075 logGD-logG0= -0.019156 tlogG= -0.011793 logG= -0.030950 Density= 0.276150 ETOT(band)= 0.001203 trlgG= -0.034018 logG= -0.030950 TDE= -0.270361 logGD-logG0= -0.019383 tlogG= -0.010291 logG= -0.029674 Density= 0.266483 ETOT(band)= -0.008300 trlgG= -0.042155 logG= -0.029674 TDE= -0.270417 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019750 tlogG= -0.013084 logG= -0.032834 logGD-logG0= -0.004929 tlogG= -0.003656 logG= -0.008585 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.074615 ETOT(band)= 0.004285 trlgG= -0.005463 logG= -0.008585 TDE= -0.069100 Density= 0.290732 ETOT(band)= 0.013649 trlgG= -0.023632 logG= -0.032834 TDE= -0.272204 logGD-logG0= -0.019237 tlogG= -0.012411 logG= -0.031648 Density= 0.277615 ETOT(band)= 0.001623 trlgG= -0.034303 logG= -0.031648 TDE= -0.271365 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019370 tlogG= -0.011586 logG= -0.030955 logGD-logG0= -0.019529 tlogG= -0.012228 logG= -0.031757 Density= 0.275603 ETOT(band)= -0.000978 trlgG= -0.036190 logG= -0.030955 TDE= -0.271998 Density= 0.282441 ETOT(band)= 0.005448 trlgG= -0.030805 logG= -0.031757 TDE= -0.272429 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019057 tlogG= -0.013870 logG= -0.032927 logGD-logG0= -0.009680 tlogG= -0.005492 logG= -0.015173 logGD-logG0= -0.019161 tlogG= -0.012513 logG= -0.031673 Density= 0.274648 ETOT(band)= -0.000583 trlgG= -0.037409 logG= -0.032927 TDE= -0.270320 Density= 0.278599 ETOT(band)= 0.003743 trlgG= -0.032509 logG= -0.031673 TDE= -0.270499 Density= 0.132975 ETOT(band)= -0.004989 trlgG= -0.022094 logG= -0.015173 TDE= -0.135631 logGD-logG0= -0.019456 tlogG= -0.010633 logG= -0.030089 Density= 0.280172 ETOT(band)= 0.004309 trlgG= -0.030132 logG= -0.030089 TDE= -0.271228 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000392 tlogG= 0.008706 logG= 0.008314 Density= 0.005687 ETOT(band)= -0.000017 trlgG= 0.008222 logG= 0.008314 TDE= -0.005597 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.009780 tlogG= -0.004873 logG= -0.014654 Density= 0.132529 ETOT(band)= -0.004883 trlgG= -0.021841 logG= -0.014654 TDE= -0.135465 logGD-logG0= -0.019364 tlogG= -0.010718 logG= -0.030081 Density= 0.277623 ETOT(band)= 0.002725 trlgG= -0.032166 logG= -0.030081 TDE= -0.270803 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019387 tlogG= -0.011764 logG= -0.031152 Density= 0.269219 ETOT(band)= -0.007787 trlgG= -0.043085 logG= -0.031152 TDE= -0.272518 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019652 tlogG= -0.012043 logG= -0.031695 Density= 0.281714 ETOT(band)= 0.003446 trlgG= -0.032645 logG= -0.031695 TDE= -0.273629 logGD-logG0= -0.019434 tlogG= -0.010197 logG= -0.029631 Density= 0.269423 ETOT(band)= -0.006262 trlgG= -0.040060 logG= -0.029631 TDE= -0.271211 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019419 tlogG= -0.010720 logG= -0.030139 Density= 0.273204 ETOT(band)= -0.003297 trlgG= -0.037637 logG= -0.030139 TDE= -0.271938 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009763 tlogG= -0.005291 logG= -0.015054 Density= 0.140846 ETOT(band)= 0.002630 trlgG= -0.014628 logG= -0.015054 TDE= -0.135903 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009880 tlogG= -0.006144 logG= -0.016025 Density= 0.145016 ETOT(band)= 0.006251 trlgG= -0.012029 logG= -0.016025 TDE= -0.136369 logGD-logG0= -0.019561 tlogG= -0.011287 logG= -0.030848 logGD-logG0= -0.009695 tlogG= -0.005542 logG= -0.015238 Density= 0.279973 ETOT(band)= 0.003099 trlgG= -0.032268 logG= -0.030848 TDE= -0.272413 Density= 0.135588 ETOT(band)= -0.002744 trlgG= -0.019945 logG= -0.015238 TDE= -0.135947 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009700 tlogG= -0.005332 logG= -0.015032 Density= 0.137003 ETOT(band)= -0.001182 trlgG= -0.018384 logG= -0.015032 TDE= -0.135961 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009677 tlogG= -0.005193 logG= -0.014870 Density= 0.136208 ETOT(band)= -0.001841 trlgG= -0.018735 logG= -0.014870 TDE= -0.135705 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004851 tlogG= -0.002690 logG= -0.007541 Density= 0.068496 ETOT(band)= -0.000653 trlgG= -0.009252 logG= -0.007541 TDE= -0.068010 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002463 tlogG= -0.001911 logG= -0.004374 Density= 0.036989 ETOT(band)= 0.002342 trlgG= -0.002594 logG= -0.004374 TDE= -0.034023 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002413 tlogG= -0.001996 logG= -0.004410 Density= 0.035840 ETOT(band)= 0.001498 trlgG= -0.003431 logG= -0.004410 TDE= -0.033712 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002361 tlogG= -0.002363 logG= -0.004724 Density= 0.034774 ETOT(band)= 0.000526 trlgG= -0.004675 logG= -0.004724 TDE= -0.033609 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009558 tlogG= -0.007418 logG= -0.016976 Density= 0.140897 ETOT(band)= 0.003918 trlgG= -0.015206 logG= -0.016976 TDE= -0.134607 logGD-logG0= -0.009471 tlogG= -0.008047 logG= -0.017518 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.138313 ETOT(band)= 0.001513 trlgG= -0.017838 logG= -0.017518 TDE= -0.134197 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009505 tlogG= -0.008519 logG= -0.018024 Density= 0.140675 ETOT(band)= 0.003630 trlgG= -0.016408 logG= -0.018024 TDE= -0.134546 logGD-logG0= -0.009816 tlogG= -0.007297 logG= -0.017113 Density= 0.145182 ETOT(band)= 0.007491 trlgG= -0.011747 logG= -0.017113 TDE= -0.135158 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009537 tlogG= -0.007457 logG= -0.016994 logGD-logG0= -0.004736 tlogG= -0.004061 logG= -0.008796 Density= 0.136897 ETOT(band)= -0.000254 trlgG= -0.019053 logG= -0.016994 TDE= -0.134566 Density= 0.069749 ETOT(band)= 0.001342 trlgG= -0.008429 logG= -0.008796 TDE= -0.067144 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009538 tlogG= -0.006963 logG= -0.016500 Density= 0.138953 ETOT(band)= 0.002302 trlgG= -0.016311 logG= -0.016500 TDE= -0.134306 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009591 tlogG= -0.006416 logG= -0.016007 Density= 0.136871 ETOT(band)= -0.000078 trlgG= -0.018178 logG= -0.016007 TDE= -0.134652 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019347 tlogG= -0.013433 logG= -0.032780 Density= 0.285146 ETOT(band)= 0.010698 trlgG= -0.026667 logG= -0.032780 TDE= -0.269887 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009687 tlogG= -0.005389 logG= -0.015076 Density= 0.134667 ETOT(band)= -0.002190 trlgG= -0.019441 logG= -0.015076 TDE= -0.134712 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018984 tlogG= -0.015926 logG= -0.034909 logGD-logG0= -0.004822 tlogG= -0.002864 logG= -0.007686 Density= 0.279789 ETOT(band)= 0.006020 trlgG= -0.032896 logG= -0.034909 TDE= -0.268801 Density= 0.068628 ETOT(band)= 0.000408 trlgG= -0.008451 logG= -0.007686 TDE= -0.067191 logGD-logG0= -0.019089 tlogG= -0.014117 logG= -0.033206 Density= 0.276611 ETOT(band)= 0.002854 trlgG= -0.034493 logG= -0.033206 TDE= -0.269026 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009437 tlogG= -0.009119 logG= -0.018556 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.139196 ETOT(band)= 0.002225 trlgG= -0.018202 logG= -0.018556 TDE= -0.134377 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009610 tlogG= -0.007629 logG= -0.017239 Density= 0.142564 ETOT(band)= 0.005398 trlgG= -0.013973 logG= -0.017239 TDE= -0.134725 logGD-logG0= -0.009766 tlogG= -0.005002 logG= -0.014768 Density= 0.132165 ETOT(band)= -0.004528 trlgG= -0.021620 logG= -0.014768 TDE= -0.134778 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009891 tlogG= -0.006895 logG= -0.016787 Density= 0.146095 ETOT(band)= 0.008007 trlgG= -0.011038 logG= -0.016787 TDE= -0.135660 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009489 tlogG= -0.007815 logG= -0.017304 Density= 0.138022 ETOT(band)= 0.001111 trlgG= -0.018021 logG= -0.017304 TDE= -0.134311 logGD-logG0= -0.009777 tlogG= -0.005795 logG= -0.015572 Density= 0.142420 ETOT(band)= 0.005134 trlgG= -0.012909 logG= -0.015572 TDE= -0.135189 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019246 tlogG= -0.011853 logG= -0.031099 Density= 0.276888 ETOT(band)= 0.003405 trlgG= -0.032395 logG= -0.031099 TDE= -0.269302 logGD-logG0= -0.009577 tlogG= -0.006759 logG= -0.016336 Density= 0.140704 ETOT(band)= 0.003975 trlgG= -0.014621 logG= -0.016336 TDE= -0.134476 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003164 tlogG= 0.070447 logG= 0.067283 Density= 0.046091 ETOT(band)= 0.000459 trlgG= 0.067165 logG= 0.067283 TDE= -0.044731 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003146 tlogG= 0.070051 logG= 0.066905 Density= 0.046010 ETOT(band)= 0.000349 trlgG= 0.066682 logG= 0.066905 TDE= -0.044758 logGD-logG0= -0.002354 tlogG= 0.052347 logG= 0.049993 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Density= 0.034289 ETOT(band)= 0.000053 trlgG= 0.049602 logG= 0.049993 TDE= -0.033580 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003138 tlogG= 0.069770 logG= 0.066632 Density= 0.045628 ETOT(band)= -0.000004 trlgG= 0.066026 logG= 0.066632 TDE= -0.044770 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009487 tlogG= 0.211219 logG= 0.201732 Density= 0.138964 ETOT(band)= 0.002029 trlgG= 0.201917 logG= 0.201732 TDE= -0.134321 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009432 tlogG= 0.210163 logG= 0.200731 Density= 0.138021 ETOT(band)= 0.001098 trlgG= 0.200020 logG= 0.200731 TDE= -0.134305 logGD-logG0= -0.004708 tlogG= 0.104902 logG= 0.100194 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Density= 0.068843 ETOT(band)= 0.000359 trlgG= 0.099678 logG= 0.100194 TDE= -0.067150 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009466 tlogG= 0.210861 logG= 0.201395 Density= 0.138578 ETOT(band)= 0.001677 trlgG= 0.201258 logG= 0.201395 TDE= -0.134270 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.66531346009964 eV TrLogG= -11.8422334882277 eV Ratio to renormalize= 0.999999999737 rho-rho_expected= 0.000000004208 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 73) Finished k-point number 74 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 50) Finished k-point number 51 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 76) Finished k-point number 77 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 87) Finished k-point number 88 1 with #bands= 18 89) Finished k-point number 90 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 32) Finished k-point number 33 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 33) Finished k-point number 34 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 59) Finished k-point number 60 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 44) Finished k-point number 45 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 77) Finished k-point number 78 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 96) Finished k-point number 97 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933244427991021 0.930045801431584 56) Finished k-point number 57 1 with #bands= 18 27) Finished k-point number 28 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 28) Finished k-point number 29 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 26) Finished k-point number 27 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 15) Finished k-point number 16 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 80) Finished k-point number 81 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 88) Finished k-point number 89 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1692872187147 Density= 16.0267743737499 16.0000000000000 EF 12.8971733866011 Density= 15.3906878399515 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96792484 0.94792484 0.267744E-01 -0.609312 1 0.96708300 0.94792484 0.348349E-02 -0.609312 2 0.96695780 0.96708300 -0.112740E-05 0.348349E-02 3 0.96695784 0.96695780 0.895049E-09 -0.112740E-05 4 0.96695784 0.96695784 -0.189052E-08 0.895049E-09 5 0.96695784 0.96695784 -0.189052E-08 0.895049E-09 Absolute convergence of the X interval. Difference in EF= -0.0131567197 EF set to : 13.1561304990 new EF (no-mixing): 13.1561304990 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001217 tlogG= -0.001260 logG= -0.002477 Density= 0.018874 ETOT(band)= 0.000984 trlgG= -0.001773 logG= -0.002477 TDE= -0.017547 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009714 tlogG= -0.009620 logG= -0.019334 Density= 0.150892 ETOT(band)= 0.008130 trlgG= -0.013461 logG= -0.019334 TDE= -0.140034 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002427 tlogG= -0.002426 logG= -0.004853 Density= 0.037698 ETOT(band)= 0.002062 trlgG= -0.003359 logG= -0.004853 TDE= -0.034958 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004853 tlogG= -0.004665 logG= -0.009518 Density= 0.075422 ETOT(band)= 0.004147 trlgG= -0.006502 logG= -0.009518 TDE= -0.069915 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002431 tlogG= -0.002105 logG= -0.004537 Density= 0.037232 ETOT(band)= 0.002082 trlgG= -0.003078 logG= -0.004537 TDE= -0.034544 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001585 tlogG= -0.001315 logG= -0.002900 Density= 0.022671 ETOT(band)= -0.000472 trlgG= -0.003702 logG= -0.002900 TDE= -0.022725 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009741 tlogG= -0.008765 logG= -0.018506 Density= 0.149917 ETOT(band)= 0.008552 trlgG= -0.012368 logG= -0.018506 TDE= -0.138826 logGD-logG0= -0.009737 tlogG= -0.006794 logG= -0.016531 logGD-logG0= -0.009736 tlogG= -0.008161 logG= -0.017897 Density= 0.149762 ETOT(band)= 0.008519 trlgG= -0.011786 logG= -0.017897 TDE= -0.138702 Density= 0.145243 ETOT(band)= 0.005181 trlgG= -0.013729 logG= -0.016531 TDE= -0.137642 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004871 tlogG= -0.004243 logG= -0.009114 Density= 0.075059 ETOT(band)= 0.004159 trlgG= -0.006160 logG= -0.009114 TDE= -0.069624 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009749 tlogG= -0.008897 logG= -0.018646 Density= 0.150390 ETOT(band)= 0.008566 trlgG= -0.012441 logG= -0.018646 TDE= -0.139216 logGD-logG0= -0.009710 tlogG= -0.007904 logG= -0.017614 Density= 0.149235 ETOT(band)= 0.009043 trlgG= -0.010971 logG= -0.017614 TDE= -0.137661 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019437 tlogG= -0.014987 logG= -0.034424 Density= 0.298208 ETOT(band)= 0.017573 trlgG= -0.021550 logG= -0.034424 TDE= -0.275481 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019471 tlogG= -0.016102 logG= -0.035573 Density= 0.299671 ETOT(band)= 0.016957 trlgG= -0.023433 logG= -0.035573 TDE= -0.277630 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009738 tlogG= -0.006749 logG= -0.016487 Density= 0.147328 ETOT(band)= 0.007339 trlgG= -0.011543 logG= -0.016487 TDE= -0.137516 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003164 tlogG= -0.002526 logG= -0.005690 Density= 0.045160 ETOT(band)= -0.000949 trlgG= -0.007345 logG= -0.005690 TDE= -0.045323 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003119 tlogG= -0.002608 logG= -0.005727 Density= 0.045705 ETOT(band)= 0.000002 trlgG= -0.006280 logG= -0.005727 TDE= -0.044747 logGD-logG0= -0.009503 tlogG= -0.007455 logG= -0.016958 Density= 0.136154 ETOT(band)= -0.002464 trlgG= -0.021545 logG= -0.016958 TDE= -0.136243 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009495 tlogG= -0.007370 logG= -0.016866 Density= 0.136015 ETOT(band)= -0.002417 trlgG= -0.021426 logG= -0.016866 TDE= -0.136081 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003147 tlogG= -0.002553 logG= -0.005700 Density= 0.045411 ETOT(band)= -0.000525 trlgG= -0.006859 logG= -0.005700 TDE= -0.045068 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009482 tlogG= -0.007301 logG= -0.016783 Density= 0.136070 ETOT(band)= -0.002018 trlgG= -0.020917 logG= -0.016783 TDE= -0.135708 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009511 tlogG= -0.006673 logG= -0.016184 Density= 0.137487 ETOT(band)= -0.000869 trlgG= -0.019257 logG= -0.016184 TDE= -0.136017 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009799 tlogG= -0.007251 logG= -0.017050 Density= 0.147451 ETOT(band)= 0.007816 trlgG= -0.011643 logG= -0.017050 TDE= -0.137172 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009424 tlogG= -0.007372 logG= -0.016796 Density= 0.136786 ETOT(band)= -0.000674 trlgG= -0.019348 logG= -0.016796 TDE= -0.134818 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009482 tlogG= -0.006543 logG= -0.016025 Density= 0.137206 ETOT(band)= -0.000656 trlgG= -0.018841 logG= -0.016025 TDE= -0.135488 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009809 tlogG= -0.006548 logG= -0.016357 Density= 0.143415 ETOT(band)= 0.004017 trlgG= -0.014581 logG= -0.016357 TDE= -0.136900 logGD-logG0= -0.009744 tlogG= -0.007667 logG= -0.017410 Density= 0.148516 ETOT(band)= 0.009146 trlgG= -0.010671 logG= -0.017410 TDE= -0.136869 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009519 tlogG= -0.006645 logG= -0.016163 logGD-logG0= -0.009501 tlogG= -0.006858 logG= -0.016359 Density= 0.138076 ETOT(band)= 0.000084 trlgG= -0.018269 logG= -0.016359 TDE= -0.135424 Density= 0.137440 ETOT(band)= -0.000837 trlgG= -0.019236 logG= -0.016163 TDE= -0.135971 logGD-logG0= -0.009459 tlogG= -0.007332 logG= -0.016791 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136310 ETOT(band)= -0.001604 trlgG= -0.020429 logG= -0.016791 TDE= -0.135444 logGD-logG0= -0.009607 tlogG= -0.006396 logG= -0.016004 logGD-logG0= -0.004804 tlogG= -0.003095 logG= -0.007899 Density= 0.140415 ETOT(band)= 0.002290 trlgG= -0.015958 logG= -0.016004 TDE= -0.135730 Density= 0.067311 ETOT(band)= -0.002099 trlgG= -0.011048 logG= -0.007899 TDE= -0.068236 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009696 tlogG= -0.006636 logG= -0.016332 Density= 0.143922 ETOT(band)= 0.005993 trlgG= -0.012555 logG= -0.016332 TDE= -0.135389 logGD-logG0= -0.009448 tlogG= -0.006846 logG= -0.016294 Density= 0.138717 ETOT(band)= 0.001439 trlgG= -0.016993 logG= -0.016294 TDE= -0.134832 logGD-logG0= -0.009566 tlogG= -0.005962 logG= -0.015529 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137945 ETOT(band)= -0.000306 trlgG= -0.018020 logG= -0.015529 TDE= -0.135878 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009545 tlogG= -0.005641 logG= -0.015186 logGD-logG0= -0.009592 tlogG= -0.005626 logG= -0.015219 Density= 0.136800 ETOT(band)= -0.000904 trlgG= -0.018310 logG= -0.015186 TDE= -0.135404 Density= 0.133400 ETOT(band)= -0.004616 trlgG= -0.021836 logG= -0.015219 TDE= -0.135610 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004807 tlogG= -0.002576 logG= -0.007383 Density= 0.065562 ETOT(band)= -0.003078 trlgG= -0.011437 logG= -0.007383 TDE= -0.067450 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009612 tlogG= -0.006022 logG= -0.015634 Density= 0.135528 ETOT(band)= -0.002971 trlgG= -0.020699 logG= -0.015634 TDE= -0.136115 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009503 tlogG= -0.006871 logG= -0.016374 Density= 0.137035 ETOT(band)= -0.001386 trlgG= -0.019985 logG= -0.016374 TDE= -0.136118 logGD-logG0= -0.009581 tlogG= -0.006165 logG= -0.015745 Density= 0.138557 ETOT(band)= 0.000268 trlgG= -0.017615 logG= -0.015745 TDE= -0.135848 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009812 tlogG= -0.006618 logG= -0.016430 Density= 0.144590 ETOT(band)= 0.004664 trlgG= -0.014123 logG= -0.016430 TDE= -0.137505 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019108 tlogG= -0.012022 logG= -0.031130 Density= 0.277664 ETOT(band)= 0.001389 trlgG= -0.034197 logG= -0.031130 TDE= -0.271557 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004894 tlogG= -0.003627 logG= -0.008521 logGD-logG0= -0.019202 tlogG= -0.010877 logG= -0.030079 Density= 0.074591 ETOT(band)= 0.004260 trlgG= -0.005444 logG= -0.008521 TDE= -0.069050 Density= 0.271849 ETOT(band)= -0.004029 trlgG= -0.038496 logG= -0.030079 TDE= -0.271283 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019128 tlogG= -0.012174 logG= -0.031302 Density= 0.278035 ETOT(band)= 0.001459 trlgG= -0.034326 logG= -0.031302 TDE= -0.271873 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018995 tlogG= -0.013738 logG= -0.032733 Density= 0.274226 ETOT(band)= -0.002163 trlgG= -0.039221 logG= -0.032733 TDE= -0.271653 logGD-logG0= -0.019650 tlogG= -0.012878 logG= -0.032528 Density= 0.287631 ETOT(band)= 0.008330 trlgG= -0.028804 logG= -0.032528 TDE= -0.274403 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019230 tlogG= -0.011501 logG= -0.030730 Density= 0.275657 ETOT(band)= -0.000928 trlgG= -0.035958 logG= -0.030730 TDE= -0.271776 logGD-logG0= -0.019385 tlogG= -0.012142 logG= -0.031528 Density= 0.282430 ETOT(band)= 0.005438 trlgG= -0.030624 logG= -0.031528 TDE= -0.272195 logGD-logG0= -0.019256 tlogG= -0.010208 logG= -0.029464 Density= 0.266079 ETOT(band)= -0.008704 trlgG= -0.042388 logG= -0.029464 TDE= -0.270211 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018922 tlogG= -0.013785 logG= -0.032707 Density= 0.274875 ETOT(band)= -0.000364 trlgG= -0.037030 logG= -0.032707 TDE= -0.270115 logGD-logG0= -0.019024 tlogG= -0.012430 logG= -0.031454 logGD-logG0= -0.000389 tlogG= 0.008698 logG= 0.008309 Density= 0.005693 ETOT(band)= -0.000012 trlgG= 0.008221 logG= 0.008309 TDE= -0.005593 logGD-logG0= -0.019098 tlogG= -0.012325 logG= -0.031423 Density= 0.278682 ETOT(band)= 0.003820 trlgG= -0.032244 logG= -0.031454 TDE= -0.270263 Density= 0.277726 ETOT(band)= 0.001729 trlgG= -0.034018 logG= -0.031423 TDE= -0.271144 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019024 tlogG= -0.011708 logG= -0.030732 Density= 0.276172 ETOT(band)= 0.001220 trlgG= -0.033836 logG= -0.030732 TDE= -0.270151 logGD-logG0= -0.009712 tlogG= -0.004836 logG= -0.014548 Density= 0.132401 ETOT(band)= -0.005008 trlgG= -0.021869 logG= -0.014548 TDE= -0.135347 logGD-logG0= -0.009613 tlogG= -0.005454 logG= -0.015067 Density= 0.132887 ETOT(band)= -0.005082 trlgG= -0.022101 logG= -0.015067 TDE= -0.135530 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019316 tlogG= -0.010554 logG= -0.029871 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.279898 ETOT(band)= 0.004036 trlgG= -0.030231 logG= -0.029871 TDE= -0.271011 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019249 tlogG= -0.011682 logG= -0.030932 Density= 0.269284 ETOT(band)= -0.007730 trlgG= -0.042861 logG= -0.030932 TDE= -0.272316 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019621 tlogG= -0.012975 logG= -0.032596 Density= 0.290569 ETOT(band)= 0.013484 trlgG= -0.023616 logG= -0.032596 TDE= -0.271989 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019233 tlogG= -0.010634 logG= -0.029867 Density= 0.277101 ETOT(band)= 0.002207 trlgG= -0.032490 logG= -0.029867 TDE= -0.270567 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019505 tlogG= -0.011958 logG= -0.031463 Density= 0.281666 ETOT(band)= 0.003401 trlgG= -0.032531 logG= -0.031463 TDE= -0.273427 logGD-logG0= -0.019283 tlogG= -0.010633 logG= -0.029916 Density= 0.273028 ETOT(band)= -0.003475 trlgG= -0.037629 logG= -0.029916 TDE= -0.271720 logGD-logG0= -0.009692 tlogG= -0.005248 logG= -0.014940 Density= 0.140734 ETOT(band)= 0.002519 trlgG= -0.014658 logG= -0.014940 TDE= -0.135802 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019304 tlogG= -0.010110 logG= -0.029414 Density= 0.268992 ETOT(band)= -0.006691 trlgG= -0.040314 logG= -0.029414 TDE= -0.271003 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009817 tlogG= -0.006089 logG= -0.015905 Density= 0.144811 ETOT(band)= 0.006044 trlgG= -0.012135 logG= -0.015905 TDE= -0.136257 logGD-logG0= -0.019420 tlogG= -0.011204 logG= -0.030624 Density= 0.279765 ETOT(band)= 0.002892 trlgG= -0.032281 logG= -0.030624 TDE= -0.272178 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009625 tlogG= -0.005498 logG= -0.015123 Density= 0.135621 ETOT(band)= -0.002717 trlgG= -0.019828 logG= -0.015123 TDE= -0.135845 logGD-logG0= -0.009633 tlogG= -0.005290 logG= -0.014922 Density= 0.136977 ETOT(band)= -0.001211 trlgG= -0.018314 logG= -0.014922 TDE= -0.135843 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004817 tlogG= -0.002669 logG= -0.007486 Density= 0.068522 ETOT(band)= -0.000630 trlgG= -0.009186 logG= -0.007486 TDE= -0.067958 logGD-logG0= -0.009611 tlogG= -0.005151 logG= -0.014761 Density= 0.136236 ETOT(band)= -0.001818 trlgG= -0.018616 logG= -0.014761 TDE= -0.135589 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002446 tlogG= -0.001897 logG= -0.004343 Density= 0.036966 ETOT(band)= 0.002318 trlgG= -0.002596 logG= -0.004343 TDE= -0.033998 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009423 tlogG= -0.007772 logG= -0.017195 Density= 0.138141 ETOT(band)= 0.001225 trlgG= -0.017811 logG= -0.017195 TDE= -0.134193 logGD-logG0= -0.002396 tlogG= -0.001985 logG= -0.004381 Density= 0.035851 ETOT(band)= 0.001508 trlgG= -0.003398 logG= -0.004381 TDE= -0.033683 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002345 tlogG= -0.002352 logG= -0.004697 Density= 0.034796 ETOT(band)= 0.000547 trlgG= -0.004630 logG= -0.004697 TDE= -0.033580 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009470 tlogG= -0.007415 logG= -0.016885 Density= 0.137036 ETOT(band)= -0.000122 trlgG= -0.018841 logG= -0.016885 TDE= -0.134463 logGD-logG0= -0.009405 tlogG= -0.008003 logG= -0.017408 Density= 0.138427 ETOT(band)= 0.001621 trlgG= -0.017634 logG= -0.017408 TDE= -0.134079 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009744 tlogG= -0.007252 logG= -0.016996 Density= 0.145215 ETOT(band)= 0.007522 trlgG= -0.011620 logG= -0.016996 TDE= -0.135040 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009438 tlogG= -0.008476 logG= -0.017914 Density= 0.140739 ETOT(band)= 0.003691 trlgG= -0.016253 logG= -0.017914 TDE= -0.134428 logGD-logG0= -0.009490 tlogG= -0.007375 logG= -0.016865 Density= 0.140955 ETOT(band)= 0.003973 trlgG= -0.015057 logG= -0.016865 TDE= -0.134490 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009523 tlogG= -0.006369 logG= -0.015892 Density= 0.136942 ETOT(band)= -0.000012 trlgG= -0.018018 logG= -0.015892 TDE= -0.134543 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009471 tlogG= -0.006918 logG= -0.016389 Density= 0.139044 ETOT(band)= 0.002388 trlgG= -0.016127 logG= -0.016389 TDE= -0.134188 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004702 tlogG= -0.004039 logG= -0.008741 Density= 0.069793 ETOT(band)= 0.001383 trlgG= -0.008339 logG= -0.008741 TDE= -0.067085 logGD-logG0= -0.009623 tlogG= -0.005346 logG= -0.014969 Density= 0.134441 ETOT(band)= -0.002420 trlgG= -0.019567 logG= -0.014969 TDE= -0.134597 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009697 tlogG= -0.004970 logG= -0.014667 Density= 0.132034 ETOT(band)= -0.004658 trlgG= -0.021656 logG= -0.014667 TDE= -0.134660 logGD-logG0= -0.004790 tlogG= -0.002842 logG= -0.007633 Density= 0.068540 ETOT(band)= 0.000318 trlgG= -0.008490 logG= -0.007633 TDE= -0.067133 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018851 tlogG= -0.015839 logG= -0.034690 Density= 0.279949 ETOT(band)= 0.006171 trlgG= -0.032557 logG= -0.034690 TDE= -0.268566 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019208 tlogG= -0.013345 logG= -0.032553 Density= 0.285198 ETOT(band)= 0.010748 trlgG= -0.026429 logG= -0.032553 TDE= -0.269651 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018956 tlogG= -0.014029 logG= -0.032985 Density= 0.276819 ETOT(band)= 0.003052 trlgG= -0.034103 logG= -0.032985 TDE= -0.268790 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009371 tlogG= -0.009077 logG= -0.018447 Density= 0.139287 ETOT(band)= 0.002311 trlgG= -0.018023 logG= -0.018447 TDE= -0.134259 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009827 tlogG= -0.006839 logG= -0.016665 Density= 0.146050 ETOT(band)= 0.007959 trlgG= -0.011000 logG= -0.016665 TDE= -0.135558 logGD-logG0= -0.009541 tlogG= -0.007585 logG= -0.017126 Density= 0.142607 ETOT(band)= 0.005439 trlgG= -0.013838 logG= -0.017126 TDE= -0.134607 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009509 tlogG= -0.006715 logG= -0.016224 Density= 0.140754 ETOT(band)= 0.004022 trlgG= -0.014479 logG= -0.016224 TDE= -0.134359 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009707 tlogG= -0.005751 logG= -0.015458 Density= 0.142279 ETOT(band)= 0.004993 trlgG= -0.012952 logG= -0.015458 TDE= -0.135071 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019111 tlogG= -0.011766 logG= -0.030877 Density= 0.276810 ETOT(band)= 0.003318 trlgG= -0.032280 logG= -0.030877 TDE= -0.269067 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003142 tlogG= 0.070388 logG= 0.067246 Density= 0.046129 ETOT(band)= 0.000495 trlgG= 0.067159 logG= 0.067246 TDE= -0.044692 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002337 tlogG= 0.052302 logG= 0.049965 Density= 0.034319 ETOT(band)= 0.000081 trlgG= 0.049596 logG= 0.049965 TDE= -0.033555 logGD-logG0= -0.003124 tlogG= 0.069991 logG= 0.066867 Density= 0.046047 ETOT(band)= 0.000384 trlgG= 0.066672 logG= 0.066867 TDE= -0.044722 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003116 tlogG= 0.069711 logG= 0.066595 Density= 0.045669 ETOT(band)= 0.000036 trlgG= 0.066019 logG= 0.066595 TDE= -0.044736 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004675 tlogG= 0.104813 logG= 0.100138 Density= 0.068900 ETOT(band)= 0.000413 trlgG= 0.099664 logG= 0.100138 TDE= -0.067098 logGD-logG0= -0.009366 tlogG= 0.209986 logG= 0.200620 Density= 0.138130 ETOT(band)= 0.001201 trlgG= 0.199992 logG= 0.200620 TDE= -0.134193 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009400 tlogG= 0.210685 logG= 0.201285 Density= 0.138681 ETOT(band)= 0.001774 trlgG= 0.201231 logG= 0.201285 TDE= -0.134153 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009421 tlogG= 0.211042 logG= 0.201620 Density= 0.139062 ETOT(band)= 0.002121 trlgG= 0.201884 logG= 0.201620 TDE= -0.134203 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.66173131518114 eV TrLogG= -11.7225685246816 eV Ratio to renormalize= 0.999999999852 rho-rho_expected= 0.000000002365 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 31) Finished k-point number 32 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 25) Finished k-point number 26 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 61) Finished k-point number 62 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 89) Finished k-point number 90 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 93) Finished k-point number 94 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 87) Finished k-point number 88 1 with #bands= 18 88) Finished k-point number 89 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 96) Finished k-point number 97 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 102) Finished k-point number 103 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933171932505274 0.930011746520855 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 16) Finished k-point number 17 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 24) Finished k-point number 25 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 31) Finished k-point number 32 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 95) Finished k-point number 96 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 71) Finished k-point number 72 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1561304990255 Density= 15.9908871172978 16.0000000000000 EF 13.4282443311391 Density= 16.5018274429024 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98695784 0.96695784 0.501827 -0.911288E-02 1 0.97695784 0.96695786 0.256197 -0.911288E-02 2 0.97195785 0.96695761 0.126897 -0.911289E-02 3 0.96945773 0.96695774 0.598580E-01 -0.911288E-02 4 0.96820774 0.96695768 0.256335E-01 -0.911288E-02 5 0.96758271 0.96695795 0.832627E-02 -0.911289E-02 6 0.96728382 0.96695795 0.209626E-05 -0.911289E-02 7 0.96728374 0.96695795 0.324821E-09 -0.911289E-02 8 0.96728374 0.96728374 -0.246555E-08 0.324821E-09 9 0.96728374 0.96728374 -0.246555E-08 0.324821E-09 Absolute convergence of the X interval. Difference in EF= 0.0044341084 EF set to : 13.1605646074 new EF (no-mixing): 13.1605646074 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001217 tlogG= -0.001261 logG= -0.002478 Density= 0.018870 ETOT(band)= 0.000986 trlgG= -0.001773 logG= -0.002478 TDE= -0.017549 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009715 tlogG= -0.009623 logG= -0.019338 Density= 0.150862 ETOT(band)= 0.008142 trlgG= -0.013459 logG= -0.019338 TDE= -0.140047 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002427 tlogG= -0.002427 logG= -0.004854 Density= 0.037690 ETOT(band)= 0.002065 trlgG= -0.003359 logG= -0.004854 TDE= -0.034961 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004853 tlogG= -0.004666 logG= -0.009520 Density= 0.075407 ETOT(band)= 0.004153 trlgG= -0.006501 logG= -0.009520 TDE= -0.069921 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002432 tlogG= -0.002106 logG= -0.004537 Density= 0.037222 ETOT(band)= 0.002082 trlgG= -0.003080 logG= -0.004537 TDE= -0.034547 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001585 tlogG= -0.001315 logG= -0.002900 Density= 0.022668 ETOT(band)= -0.000468 trlgG= -0.003699 logG= -0.002900 TDE= -0.022726 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009738 tlogG= -0.006796 logG= -0.016533 Density= 0.145261 ETOT(band)= 0.005239 trlgG= -0.013679 logG= -0.016533 TDE= -0.137653 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009742 tlogG= -0.008767 logG= -0.018509 logGD-logG0= -0.004872 tlogG= -0.004245 logG= -0.009117 Density= 0.149881 ETOT(band)= 0.008559 trlgG= -0.012371 logG= -0.018509 TDE= -0.138839 Density= 0.075042 ETOT(band)= 0.004164 trlgG= -0.006160 logG= -0.009117 TDE= -0.069630 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009737 tlogG= -0.008163 logG= -0.017900 Density= 0.149726 ETOT(band)= 0.008526 trlgG= -0.011787 logG= -0.017900 TDE= -0.138715 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009750 tlogG= -0.008899 logG= -0.018650 Density= 0.150356 ETOT(band)= 0.008576 trlgG= -0.012441 logG= -0.018650 TDE= -0.139229 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009711 tlogG= -0.007907 logG= -0.017618 Density= 0.149200 ETOT(band)= 0.009050 trlgG= -0.010972 logG= -0.017618 TDE= -0.137673 logGD-logG0= -0.019439 tlogG= -0.014991 logG= -0.034431 Density= 0.298145 ETOT(band)= 0.017595 trlgG= -0.021544 logG= -0.034431 TDE= -0.275505 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019473 tlogG= -0.016105 logG= -0.035579 Density= 0.299601 ETOT(band)= 0.016972 trlgG= -0.023434 logG= -0.035579 TDE= -0.277655 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009739 tlogG= -0.006751 logG= -0.016490 Density= 0.147304 ETOT(band)= 0.007357 trlgG= -0.011533 logG= -0.016490 TDE= -0.137527 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003165 tlogG= -0.002525 logG= -0.005689 Density= 0.045153 ETOT(band)= -0.000941 trlgG= -0.007338 logG= -0.005689 TDE= -0.045325 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003147 tlogG= -0.002552 logG= -0.005699 Density= 0.045405 ETOT(band)= -0.000516 trlgG= -0.006850 logG= -0.005699 TDE= -0.045070 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009496 tlogG= -0.007369 logG= -0.016865 Density= 0.135998 ETOT(band)= -0.002391 trlgG= -0.021404 logG= -0.016865 TDE= -0.136087 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003119 tlogG= -0.002607 logG= -0.005726 Density= 0.045700 ETOT(band)= 0.000013 trlgG= -0.006270 logG= -0.005726 TDE= -0.044749 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009502 tlogG= -0.007453 logG= -0.016955 Density= 0.136138 ETOT(band)= -0.002438 trlgG= -0.021521 logG= -0.016955 TDE= -0.136250 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009425 tlogG= -0.007370 logG= -0.016794 Density= 0.136773 ETOT(band)= -0.000644 trlgG= -0.019320 logG= -0.016794 TDE= -0.134824 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009481 tlogG= -0.007298 logG= -0.016780 Density= 0.136053 ETOT(band)= -0.001992 trlgG= -0.020893 logG= -0.016780 TDE= -0.135715 logGD-logG0= -0.009745 tlogG= -0.007669 logG= -0.017414 Density= 0.148485 ETOT(band)= 0.009158 trlgG= -0.010667 logG= -0.017414 TDE= -0.136880 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009511 tlogG= -0.006672 logG= -0.016183 Density= 0.137477 ETOT(band)= -0.000838 trlgG= -0.019228 logG= -0.016183 TDE= -0.136024 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009800 tlogG= -0.007253 logG= -0.017054 Density= 0.147426 ETOT(band)= 0.007834 trlgG= -0.011634 logG= -0.017054 TDE= -0.137184 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009478 tlogG= -0.006540 logG= -0.016018 Density= 0.137191 ETOT(band)= -0.000629 trlgG= -0.018811 logG= -0.016018 TDE= -0.135496 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009608 tlogG= -0.006396 logG= -0.016004 Density= 0.140428 ETOT(band)= 0.002343 trlgG= -0.015909 logG= -0.016004 TDE= -0.135739 logGD-logG0= -0.009460 tlogG= -0.007331 logG= -0.016791 Density= 0.136294 ETOT(band)= -0.001576 trlgG= -0.020406 logG= -0.016791 TDE= -0.135450 logGD-logG0= -0.009811 tlogG= -0.006549 logG= -0.016360 Density= 0.143441 ETOT(band)= 0.004083 trlgG= -0.014523 logG= -0.016360 TDE= -0.136910 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009501 tlogG= -0.006858 logG= -0.016359 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138071 ETOT(band)= 0.000120 trlgG= -0.018236 logG= -0.016359 TDE= -0.135431 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009567 tlogG= -0.005960 logG= -0.015527 Density= 0.137947 ETOT(band)= -0.000262 trlgG= -0.017980 logG= -0.015527 TDE= -0.135887 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009613 tlogG= -0.006021 logG= -0.015634 logGD-logG0= -0.004806 tlogG= -0.002575 logG= -0.007381 Density= 0.135524 ETOT(band)= -0.002933 trlgG= -0.020665 logG= -0.015634 TDE= -0.136122 Density= 0.065560 ETOT(band)= -0.003059 trlgG= -0.011418 logG= -0.007381 TDE= -0.067452 logGD-logG0= -0.009449 tlogG= -0.006848 logG= -0.016297 Density= 0.138714 ETOT(band)= 0.001478 trlgG= -0.016961 logG= -0.016297 TDE= -0.134839 logGD-logG0= -0.009593 tlogG= -0.005623 logG= -0.015216 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.133381 ETOT(band)= -0.004594 trlgG= -0.021814 logG= -0.015216 TDE= -0.135615 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009698 tlogG= -0.006637 logG= -0.016335 Density= 0.143931 ETOT(band)= 0.006043 trlgG= -0.012512 logG= -0.016335 TDE= -0.135399 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004804 tlogG= -0.003093 logG= -0.007897 logGD-logG0= -0.009545 tlogG= -0.005639 logG= -0.015184 Density= 0.067300 ETOT(band)= -0.002089 trlgG= -0.011038 logG= -0.007897 TDE= -0.068239 Density= 0.136797 ETOT(band)= -0.000867 trlgG= -0.018274 logG= -0.015184 TDE= -0.135411 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009504 tlogG= -0.006869 logG= -0.016373 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137023 ETOT(band)= -0.001355 trlgG= -0.019959 logG= -0.016373 TDE= -0.136126 logGD-logG0= -0.009519 tlogG= -0.006643 logG= -0.016161 Density= 0.137432 ETOT(band)= -0.000803 trlgG= -0.019205 logG= -0.016161 TDE= -0.135979 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009813 tlogG= -0.006620 logG= -0.016433 Density= 0.144617 ETOT(band)= 0.004732 trlgG= -0.014063 logG= -0.016433 TDE= -0.137516 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009582 tlogG= -0.006164 logG= -0.015745 Density= 0.138564 ETOT(band)= 0.000316 trlgG= -0.017571 logG= -0.015745 TDE= -0.135856 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019112 tlogG= -0.012020 logG= -0.031132 Density= 0.277676 ETOT(band)= 0.001485 trlgG= -0.034114 logG= -0.031132 TDE= -0.271573 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019652 tlogG= -0.012881 logG= -0.032533 logGD-logG0= -0.019205 tlogG= -0.010877 logG= -0.030082 Density= 0.287689 ETOT(band)= 0.008468 trlgG= -0.028681 logG= -0.032533 TDE= -0.274424 Density= 0.271872 ETOT(band)= -0.003923 trlgG= -0.038404 logG= -0.030082 TDE= -0.271299 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019131 tlogG= -0.012175 logG= -0.031305 Density= 0.278044 ETOT(band)= 0.001550 trlgG= -0.034248 logG= -0.031305 TDE= -0.271890 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004894 tlogG= -0.003628 logG= -0.008522 Density= 0.074577 ETOT(band)= 0.004267 trlgG= -0.005441 logG= -0.008522 TDE= -0.069056 logGD-logG0= -0.019387 tlogG= -0.012142 logG= -0.031529 logGD-logG0= -0.019026 tlogG= -0.012431 logG= -0.031456 Density= 0.278692 ETOT(band)= 0.003913 trlgG= -0.032162 logG= -0.031456 TDE= -0.270280 logGD-logG0= -0.019257 tlogG= -0.010206 logG= -0.029463 Density= 0.266137 ETOT(band)= -0.008566 trlgG= -0.042257 logG= -0.029463 TDE= -0.270224 Density= 0.282465 ETOT(band)= 0.005553 trlgG= -0.030518 logG= -0.031529 TDE= -0.272214 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019231 tlogG= -0.011498 logG= -0.030729 Density= 0.275686 ETOT(band)= -0.000817 trlgG= -0.035855 logG= -0.030729 TDE= -0.271793 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018996 tlogG= -0.013735 logG= -0.032731 Density= 0.274203 ETOT(band)= -0.002101 trlgG= -0.039167 logG= -0.032731 TDE= -0.271668 logGD-logG0= -0.019098 tlogG= -0.012321 logG= -0.031420 Density= 0.277730 ETOT(band)= 0.001815 trlgG= -0.033936 logG= -0.031420 TDE= -0.271159 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019022 tlogG= -0.011706 logG= -0.030728 Density= 0.276164 ETOT(band)= 0.001294 trlgG= -0.033765 logG= -0.030728 TDE= -0.270165 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018922 tlogG= -0.013786 logG= -0.032708 Density= 0.274855 ETOT(band)= -0.000299 trlgG= -0.036974 logG= -0.032708 TDE= -0.270128 logGD-logG0= -0.019622 tlogG= -0.012977 logG= -0.032599 Density= 0.290556 ETOT(band)= 0.013553 trlgG= -0.023558 logG= -0.032599 TDE= -0.272009 logGD-logG0= -0.019317 tlogG= -0.010551 logG= -0.029868 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009612 tlogG= -0.005447 logG= -0.015059 Density= 0.132868 ETOT(band)= -0.005060 trlgG= -0.022073 logG= -0.015059 TDE= -0.135535 Density= 0.279931 ETOT(band)= 0.004149 trlgG= -0.030123 logG= -0.029868 TDE= -0.271027 logGD-logG0= -0.009714 tlogG= -0.004835 logG= -0.014549 Density= 0.132459 ETOT(band)= -0.004913 trlgG= -0.021779 logG= -0.014549 TDE= -0.135355 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000389 tlogG= 0.008701 logG= 0.008312 Density= 0.005692 ETOT(band)= -0.000011 trlgG= 0.008225 logG= 0.008312 TDE= -0.005593 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019303 tlogG= -0.010110 logG= -0.029414 Density= 0.269067 ETOT(band)= -0.006537 trlgG= -0.040167 logG= -0.029414 TDE= -0.271018 logGD-logG0= -0.019232 tlogG= -0.010629 logG= -0.029861 Density= 0.277152 ETOT(band)= 0.002335 trlgG= -0.032362 logG= -0.029861 TDE= -0.270585 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019250 tlogG= -0.011678 logG= -0.030928 logGD-logG0= -0.019423 tlogG= -0.011202 logG= -0.030625 Density= 0.279823 ETOT(band)= 0.003028 trlgG= -0.032154 logG= -0.030625 TDE= -0.272197 Density= 0.269257 ETOT(band)= -0.007673 trlgG= -0.042809 logG= -0.030928 TDE= -0.272329 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009693 tlogG= -0.005247 logG= -0.014940 Density= 0.140756 ETOT(band)= 0.002582 trlgG= -0.014599 logG= -0.014940 TDE= -0.135810 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019285 tlogG= -0.010633 logG= -0.029919 Density= 0.273073 ETOT(band)= -0.003349 trlgG= -0.037515 logG= -0.029919 TDE= -0.271735 logGD-logG0= -0.009817 tlogG= -0.006091 logG= -0.015908 Density= 0.144817 ETOT(band)= 0.006091 trlgG= -0.012096 logG= -0.015908 TDE= -0.136267 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019509 tlogG= -0.011956 logG= -0.031465 Density= 0.281720 ETOT(band)= 0.003535 trlgG= -0.032408 logG= -0.031465 TDE= -0.273446 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009633 tlogG= -0.005289 logG= -0.014922 Density= 0.136985 ETOT(band)= -0.001162 trlgG= -0.018270 logG= -0.014922 TDE= -0.135851 logGD-logG0= -0.009625 tlogG= -0.005497 logG= -0.015123 Density= 0.135614 ETOT(band)= -0.002682 trlgG= -0.019797 logG= -0.015123 TDE= -0.135852 logGD-logG0= -0.009610 tlogG= -0.005149 logG= -0.014759 logGD-logG0= -0.004817 tlogG= -0.002668 logG= -0.007486 Density= 0.068522 ETOT(band)= -0.000610 trlgG= -0.009168 logG= -0.007486 TDE= -0.067962 Density= 0.136239 ETOT(band)= -0.001775 trlgG= -0.018574 logG= -0.014759 TDE= -0.135596 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002446 tlogG= -0.001897 logG= -0.004343 Density= 0.036962 ETOT(band)= 0.002324 trlgG= -0.002592 logG= -0.004343 TDE= -0.034001 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002345 tlogG= -0.002352 logG= -0.004697 Density= 0.034795 ETOT(band)= 0.000557 trlgG= -0.004621 logG= -0.004697 TDE= -0.033581 logGD-logG0= -0.002396 tlogG= -0.001985 logG= -0.004381 Density= 0.035852 ETOT(band)= 0.001520 trlgG= -0.003387 logG= -0.004381 TDE= -0.033685 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009470 tlogG= -0.007413 logG= -0.016883 Density= 0.137023 ETOT(band)= -0.000090 trlgG= -0.018812 logG= -0.016883 TDE= -0.134469 logGD-logG0= -0.009423 tlogG= -0.007771 logG= -0.017194 logGD-logG0= -0.009405 tlogG= -0.008003 logG= -0.017408 Density= 0.138420 ETOT(band)= 0.001658 trlgG= -0.017601 logG= -0.017408 TDE= -0.134084 Density= 0.138134 ETOT(band)= 0.001261 trlgG= -0.017778 logG= -0.017194 TDE= -0.134198 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009491 tlogG= -0.007375 logG= -0.016866 Density= 0.140960 ETOT(band)= 0.004021 trlgG= -0.015014 logG= -0.016866 TDE= -0.134497 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009745 tlogG= -0.007253 logG= -0.016998 Density= 0.145217 ETOT(band)= 0.007567 trlgG= -0.011581 logG= -0.016998 TDE= -0.135050 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004702 tlogG= -0.004039 logG= -0.008741 Density= 0.069791 ETOT(band)= 0.001403 trlgG= -0.008321 logG= -0.008741 TDE= -0.067088 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009524 tlogG= -0.006369 logG= -0.015893 Density= 0.136930 ETOT(band)= 0.000019 trlgG= -0.017992 logG= -0.015893 TDE= -0.134549 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009438 tlogG= -0.008475 logG= -0.017914 Density= 0.140741 ETOT(band)= 0.003736 trlgG= -0.016212 logG= -0.017914 TDE= -0.134435 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009623 tlogG= -0.005345 logG= -0.014969 Density= 0.134451 ETOT(band)= -0.002369 trlgG= -0.019519 logG= -0.014969 TDE= -0.134602 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009472 tlogG= -0.006918 logG= -0.016390 Density= 0.139041 ETOT(band)= 0.002428 trlgG= -0.016093 logG= -0.016390 TDE= -0.134195 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019209 tlogG= -0.013347 logG= -0.032556 Density= 0.285223 ETOT(band)= 0.010855 trlgG= -0.026333 logG= -0.032556 TDE= -0.269669 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004790 tlogG= -0.002842 logG= -0.007632 Density= 0.068540 ETOT(band)= 0.000338 trlgG= -0.008470 logG= -0.007632 TDE= -0.067136 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018851 tlogG= -0.015838 logG= -0.034688 Density= 0.279948 ETOT(band)= 0.006257 trlgG= -0.032477 logG= -0.034688 TDE= -0.268578 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018956 tlogG= -0.014026 logG= -0.032983 Density= 0.276809 ETOT(band)= 0.003128 trlgG= -0.034034 logG= -0.032983 TDE= -0.268803 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009698 tlogG= -0.004969 logG= -0.014668 Density= 0.132081 ETOT(band)= -0.004573 trlgG= -0.021575 logG= -0.014668 TDE= -0.134667 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009371 tlogG= -0.009076 logG= -0.018447 Density= 0.139282 ETOT(band)= 0.002350 trlgG= -0.017986 logG= -0.018447 TDE= -0.134264 logGD-logG0= -0.009827 tlogG= -0.006841 logG= -0.016668 Density= 0.146042 ETOT(band)= 0.007993 trlgG= -0.010973 logG= -0.016668 TDE= -0.135569 logGD-logG0= -0.009541 tlogG= -0.007586 logG= -0.017127 Density= 0.142614 ETOT(band)= 0.005488 trlgG= -0.013794 logG= -0.017127 TDE= -0.134615 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009708 tlogG= -0.005752 logG= -0.015460 Density= 0.142302 ETOT(band)= 0.005056 trlgG= -0.012895 logG= -0.015460 TDE= -0.135081 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019112 tlogG= -0.011767 logG= -0.030879 Density= 0.276811 ETOT(band)= 0.003403 trlgG= -0.032206 logG= -0.030879 TDE= -0.269081 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009509 tlogG= -0.006715 logG= -0.016224 Density= 0.140760 ETOT(band)= 0.004069 trlgG= -0.014435 logG= -0.016224 TDE= -0.134366 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003124 tlogG= 0.070016 logG= 0.066892 Density= 0.046044 ETOT(band)= 0.000395 trlgG= 0.066706 logG= 0.066892 TDE= -0.044723 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003142 tlogG= 0.070413 logG= 0.067271 Density= 0.046126 ETOT(band)= 0.000507 trlgG= 0.067195 logG= 0.067271 TDE= -0.044693 logGD-logG0= -0.002337 tlogG= 0.052321 logG= 0.049984 Density= 0.034316 ETOT(band)= 0.000089 trlgG= 0.049621 logG= 0.049984 TDE= -0.033556 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009421 tlogG= 0.211116 logG= 0.201696 Density= 0.139056 ETOT(band)= 0.002159 trlgG= 0.201994 logG= 0.201696 TDE= -0.134208 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004675 tlogG= 0.104851 logG= 0.100175 Density= 0.068895 ETOT(band)= 0.000430 trlgG= 0.099716 logG= 0.100175 TDE= -0.067100 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003116 tlogG= 0.069736 logG= 0.066620 Density= 0.045664 ETOT(band)= 0.000046 trlgG= 0.066052 logG= 0.066620 TDE= -0.044738 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009401 tlogG= 0.210758 logG= 0.201357 Density= 0.138674 ETOT(band)= 0.001811 trlgG= 0.201337 logG= 0.201357 TDE= -0.134157 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009366 tlogG= 0.210061 logG= 0.200694 Density= 0.138120 ETOT(band)= 0.001236 trlgG= 0.200097 logG= 0.200694 TDE= -0.134198 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.72667746113987 eV TrLogG= -11.6599040623901 eV Ratio to renormalize= 0.999999999888 rho-rho_expected= 0.000000001793 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 23) Finished k-point number 24 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 56) Finished k-point number 57 1 with #bands= 18 59) Finished k-point number 60 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 75) Finished k-point number 76 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 67) Finished k-point number 68 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 78) Finished k-point number 79 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 90) Finished k-point number 91 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 89) Finished k-point number 90 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933221915921346 0.929987694224050 56) Finished k-point number 57 1 with #bands= 18 7) Finished k-point number 8 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 6) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 24) Finished k-point number 25 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 37) Finished k-point number 38 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 46) Finished k-point number 47 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 76) Finished k-point number 77 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 65) Finished k-point number 66 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 81) Finished k-point number 82 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 26 90) Finished k-point number 91 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 40) Finished k-point number 41 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1605646073880 Density= 16.0033290809367 16.0000000000000 EF 12.8884507752744 Density= 15.3591950844744 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96728374 0.94728374 0.332908E-02 -0.640805 1 0.96718038 0.94728374 0.448987E-03 -0.640805 2 0.96716427 0.96718038 -0.266088E-07 0.448987E-03 3 0.96716428 0.96716427 0.273204E-11 -0.266088E-07 Absolute convergence of |F(X)|. Difference in EF= -0.0016254437 EF set to : 13.1589391637 new EF (no-mixing): 13.1589391637 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001217 tlogG= -0.001261 logG= -0.002477 Density= 0.018872 ETOT(band)= 0.000985 trlgG= -0.001773 logG= -0.002477 TDE= -0.017548 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002427 tlogG= -0.002427 logG= -0.004854 Density= 0.037692 ETOT(band)= 0.002064 trlgG= -0.003359 logG= -0.004854 TDE= -0.034960 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009715 tlogG= -0.009622 logG= -0.019336 Density= 0.150873 ETOT(band)= 0.008137 trlgG= -0.013460 logG= -0.019336 TDE= -0.140042 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004853 tlogG= -0.004666 logG= -0.009519 Density= 0.075412 ETOT(band)= 0.004151 trlgG= -0.006502 logG= -0.009519 TDE= -0.069919 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002432 tlogG= -0.002105 logG= -0.004537 Density= 0.037226 ETOT(band)= 0.002082 trlgG= -0.003080 logG= -0.004537 TDE= -0.034546 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009742 tlogG= -0.008766 logG= -0.018508 Density= 0.149894 ETOT(band)= 0.008556 trlgG= -0.012370 logG= -0.018508 TDE= -0.138834 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004872 tlogG= -0.004244 logG= -0.009116 Density= 0.075049 ETOT(band)= 0.004163 trlgG= -0.006159 logG= -0.009116 TDE= -0.069628 logGD-logG0= -0.001585 tlogG= -0.001314 logG= -0.002899 Density= 0.022669 ETOT(band)= -0.000469 trlgG= -0.003700 logG= -0.002899 TDE= -0.022725 logGD-logG0= -0.009738 tlogG= -0.006795 logG= -0.016532 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.145254 ETOT(band)= 0.005217 trlgG= -0.013697 logG= -0.016532 TDE= -0.137649 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009737 tlogG= -0.008162 logG= -0.017899 Density= 0.149740 ETOT(band)= 0.008524 trlgG= -0.011786 logG= -0.017899 TDE= -0.138710 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009750 tlogG= -0.008898 logG= -0.018648 Density= 0.150368 ETOT(band)= 0.008572 trlgG= -0.012441 logG= -0.018648 TDE= -0.139224 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009711 tlogG= -0.007906 logG= -0.017616 Density= 0.149212 ETOT(band)= 0.009047 trlgG= -0.010972 logG= -0.017616 TDE= -0.137668 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019472 tlogG= -0.016103 logG= -0.035575 Density= 0.299626 ETOT(band)= 0.016966 trlgG= -0.023434 logG= -0.035575 TDE= -0.277646 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019439 tlogG= -0.014989 logG= -0.034428 Density= 0.298167 ETOT(band)= 0.017587 trlgG= -0.021547 logG= -0.034428 TDE= -0.275496 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009739 tlogG= -0.006750 logG= -0.016489 Density= 0.147312 ETOT(band)= 0.007350 trlgG= -0.011537 logG= -0.016489 TDE= -0.137523 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003147 tlogG= -0.002553 logG= -0.005699 Density= 0.045407 ETOT(band)= -0.000520 trlgG= -0.006853 logG= -0.005699 TDE= -0.045070 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003119 tlogG= -0.002607 logG= -0.005726 Density= 0.045702 ETOT(band)= 0.000009 trlgG= -0.006273 logG= -0.005726 TDE= -0.044748 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003165 tlogG= -0.002527 logG= -0.005692 Density= 0.045157 ETOT(band)= -0.000943 trlgG= -0.007342 logG= -0.005692 TDE= -0.045324 logGD-logG0= -0.009503 tlogG= -0.007451 logG= -0.016954 Density= 0.136144 ETOT(band)= -0.002446 trlgG= -0.021528 logG= -0.016954 TDE= -0.136247 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009481 tlogG= -0.007299 logG= -0.016780 Density= 0.136059 ETOT(band)= -0.002002 trlgG= -0.020901 logG= -0.016780 TDE= -0.135712 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009496 tlogG= -0.007369 logG= -0.016865 Density= 0.136004 ETOT(band)= -0.002400 trlgG= -0.021411 logG= -0.016865 TDE= -0.136085 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009744 tlogG= -0.007668 logG= -0.017412 Density= 0.148499 ETOT(band)= 0.009156 trlgG= -0.010666 logG= -0.017412 TDE= -0.136876 logGD-logG0= -0.009511 tlogG= -0.006674 logG= -0.016185 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137479 ETOT(band)= -0.000851 trlgG= -0.019242 logG= -0.016185 TDE= -0.136021 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009425 tlogG= -0.007371 logG= -0.016795 Density= 0.136778 ETOT(band)= -0.000655 trlgG= -0.019330 logG= -0.016795 TDE= -0.134822 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009811 tlogG= -0.006548 logG= -0.016359 logGD-logG0= -0.009501 tlogG= -0.006857 logG= -0.016359 Density= 0.143433 ETOT(band)= 0.004061 trlgG= -0.014543 logG= -0.016359 TDE= -0.136907 Density= 0.138073 ETOT(band)= 0.000108 trlgG= -0.018247 logG= -0.016359 TDE= -0.135428 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009608 tlogG= -0.006396 logG= -0.016004 Density= 0.140423 ETOT(band)= 0.002323 trlgG= -0.015927 logG= -0.016004 TDE= -0.135735 logGD-logG0= -0.009800 tlogG= -0.007252 logG= -0.017052 Density= 0.147432 ETOT(band)= 0.007823 trlgG= -0.011641 logG= -0.017052 TDE= -0.137180 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009483 tlogG= -0.006542 logG= -0.016025 Density= 0.137199 ETOT(band)= -0.000635 trlgG= -0.018824 logG= -0.016025 TDE= -0.135493 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009460 tlogG= -0.007331 logG= -0.016791 logGD-logG0= -0.009449 tlogG= -0.006847 logG= -0.016296 Density= 0.136300 ETOT(band)= -0.001587 trlgG= -0.020414 logG= -0.016791 TDE= -0.135448 logGD-logG0= -0.009568 tlogG= -0.005962 logG= -0.015530 Density= 0.138715 ETOT(band)= 0.001464 trlgG= -0.016973 logG= -0.016296 TDE= -0.134836 Density= 0.137948 ETOT(band)= -0.000276 trlgG= -0.017995 logG= -0.015530 TDE= -0.135884 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004806 tlogG= -0.002575 logG= -0.007381 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.065562 ETOT(band)= -0.003064 trlgG= -0.011423 logG= -0.007381 TDE= -0.067451 logGD-logG0= -0.004804 tlogG= -0.003094 logG= -0.007898 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.067305 ETOT(band)= -0.002092 trlgG= -0.011041 logG= -0.007898 TDE= -0.068238 logGD-logG0= -0.009613 tlogG= -0.006022 logG= -0.015635 Density= 0.135526 ETOT(band)= -0.002946 trlgG= -0.020678 logG= -0.015635 TDE= -0.136119 logGD-logG0= -0.009580 tlogG= -0.006164 logG= -0.015744 Density= 0.138561 ETOT(band)= 0.000298 trlgG= -0.017586 logG= -0.015744 TDE= -0.135853 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009545 tlogG= -0.005639 logG= -0.015185 Density= 0.136797 ETOT(band)= -0.000880 trlgG= -0.018288 logG= -0.015185 TDE= -0.135408 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009697 tlogG= -0.006636 logG= -0.016333 Density= 0.143928 ETOT(band)= 0.006026 trlgG= -0.012527 logG= -0.016333 TDE= -0.135395 logGD-logG0= -0.009518 tlogG= -0.006643 logG= -0.016161 Density= 0.137435 ETOT(band)= -0.000815 trlgG= -0.019215 logG= -0.016161 TDE= -0.135976 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009593 tlogG= -0.005624 logG= -0.015216 Density= 0.133389 ETOT(band)= -0.004601 trlgG= -0.021820 logG= -0.015216 TDE= -0.135613 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019109 tlogG= -0.012021 logG= -0.031130 Density= 0.277665 ETOT(band)= 0.001443 trlgG= -0.034149 logG= -0.031130 TDE= -0.271567 logGD-logG0= -0.009503 tlogG= -0.006867 logG= -0.016370 Density= 0.137028 ETOT(band)= -0.001366 trlgG= -0.019964 logG= -0.016370 TDE= -0.136123 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009813 tlogG= -0.006619 logG= -0.016432 Density= 0.144606 ETOT(band)= 0.004706 trlgG= -0.014086 logG= -0.016432 TDE= -0.137512 logGD-logG0= -0.019129 tlogG= -0.012172 logG= -0.031301 Density= 0.278040 ETOT(band)= 0.001516 trlgG= -0.034275 logG= -0.031301 TDE= -0.271884 logGD-logG0= -0.019203 tlogG= -0.010875 logG= -0.030078 Density= 0.271862 ETOT(band)= -0.003964 trlgG= -0.038436 logG= -0.030078 TDE= -0.271293 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018994 tlogG= -0.013733 logG= -0.032728 Density= 0.274210 ETOT(band)= -0.002125 trlgG= -0.039184 logG= -0.032728 TDE= -0.271663 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019025 tlogG= -0.012429 logG= -0.031453 Density= 0.278690 ETOT(band)= 0.003881 trlgG= -0.032188 logG= -0.031453 TDE= -0.270274 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019256 tlogG= -0.010209 logG= -0.029465 Density= 0.266130 ETOT(band)= -0.008602 trlgG= -0.042293 logG= -0.029465 TDE= -0.270219 logGD-logG0= -0.018923 tlogG= -0.013791 logG= -0.032714 logGD-logG0= -0.019621 tlogG= -0.012976 logG= -0.032597 Density= 0.274858 ETOT(band)= -0.000327 trlgG= -0.037004 logG= -0.032714 TDE= -0.270123 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.290564 ETOT(band)= 0.013530 trlgG= -0.023576 logG= -0.032597 TDE= -0.272002 logGD-logG0= -0.019652 tlogG= -0.012880 logG= -0.032531 Density= 0.287672 ETOT(band)= 0.008422 trlgG= -0.028722 logG= -0.032531 TDE= -0.274416 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004894 tlogG= -0.003628 logG= -0.008522 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.074582 ETOT(band)= 0.004264 trlgG= -0.005442 logG= -0.008522 TDE= -0.069053 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019388 tlogG= -0.012143 logG= -0.031531 Density= 0.282465 ETOT(band)= 0.005524 trlgG= -0.030548 logG= -0.031531 TDE= -0.272207 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019022 tlogG= -0.011707 logG= -0.030728 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.276162 ETOT(band)= 0.001262 trlgG= -0.033794 logG= -0.030728 TDE= -0.270160 logGD-logG0= -0.019318 tlogG= -0.010549 logG= -0.029867 Density= 0.279912 ETOT(band)= 0.004102 trlgG= -0.030167 logG= -0.029867 TDE= -0.271021 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019099 tlogG= -0.012322 logG= -0.031421 logGD-logG0= -0.019231 tlogG= -0.011500 logG= -0.030730 Density= 0.275678 ETOT(band)= -0.000855 trlgG= -0.035891 logG= -0.030730 TDE= -0.271787 Density= 0.277729 ETOT(band)= 0.001785 trlgG= -0.033964 logG= -0.031421 TDE= -0.271154 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019252 tlogG= -0.011681 logG= -0.030933 Density= 0.269267 ETOT(band)= -0.007693 trlgG= -0.042832 logG= -0.030933 TDE= -0.272324 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009713 tlogG= -0.004835 logG= -0.014547 Density= 0.132438 ETOT(band)= -0.004948 trlgG= -0.021811 logG= -0.014547 TDE= -0.135352 logGD-logG0= -0.009692 tlogG= -0.005249 logG= -0.014941 Density= 0.140747 ETOT(band)= 0.002557 trlgG= -0.014623 logG= -0.014941 TDE= -0.135807 logGD-logG0= -0.009614 tlogG= -0.005452 logG= -0.015066 Density= 0.132884 ETOT(band)= -0.005058 trlgG= -0.022078 logG= -0.015066 TDE= -0.135533 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019284 tlogG= -0.010634 logG= -0.029918 Density= 0.273058 ETOT(band)= -0.003395 trlgG= -0.037556 logG= -0.029918 TDE= -0.271730 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019423 tlogG= -0.011204 logG= -0.030627 Density= 0.279816 ETOT(band)= 0.002993 trlgG= -0.032188 logG= -0.030627 TDE= -0.272190 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019304 tlogG= -0.010106 logG= -0.029410 Density= 0.269010 ETOT(band)= -0.006622 trlgG= -0.040245 logG= -0.029410 TDE= -0.271012 logGD-logG0= -0.009817 tlogG= -0.006090 logG= -0.015907 Density= 0.144814 ETOT(band)= 0.006073 trlgG= -0.012110 logG= -0.015907 TDE= -0.136263 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019507 tlogG= -0.011955 logG= -0.031463 Density= 0.281701 ETOT(band)= 0.003487 trlgG= -0.032451 logG= -0.031463 TDE= -0.273439 logGD-logG0= -0.019232 tlogG= -0.010630 logG= -0.029862 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.277116 ETOT(band)= 0.002272 trlgG= -0.032423 logG= -0.029862 TDE= -0.270578 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000389 tlogG= 0.008700 logG= 0.008311 Density= 0.005692 ETOT(band)= -0.000012 trlgG= 0.008224 logG= 0.008311 TDE= -0.005593 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.004817 tlogG= -0.002669 logG= -0.007486 Density= 0.068522 ETOT(band)= -0.000617 trlgG= -0.009174 logG= -0.007486 TDE= -0.067960 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009633 tlogG= -0.005289 logG= -0.014922 Density= 0.136982 ETOT(band)= -0.001180 trlgG= -0.018286 logG= -0.014922 TDE= -0.135848 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009625 tlogG= -0.005498 logG= -0.015123 Density= 0.135618 ETOT(band)= -0.002694 trlgG= -0.019807 logG= -0.015123 TDE= -0.135849 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009610 tlogG= -0.005150 logG= -0.014760 Density= 0.136238 ETOT(band)= -0.001790 trlgG= -0.018589 logG= -0.014760 TDE= -0.135594 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002446 tlogG= -0.001897 logG= -0.004343 Density= 0.036963 ETOT(band)= 0.002322 trlgG= -0.002593 logG= -0.004343 TDE= -0.034000 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002345 tlogG= -0.002352 logG= -0.004697 Density= 0.034796 ETOT(band)= 0.000553 trlgG= -0.004624 logG= -0.004697 TDE= -0.033581 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009423 tlogG= -0.007771 logG= -0.017194 Density= 0.138136 ETOT(band)= 0.001248 trlgG= -0.017790 logG= -0.017194 TDE= -0.134196 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009470 tlogG= -0.007413 logG= -0.016883 Density= 0.137028 ETOT(band)= -0.000102 trlgG= -0.018822 logG= -0.016883 TDE= -0.134467 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002396 tlogG= -0.001985 logG= -0.004381 Density= 0.035852 ETOT(band)= 0.001516 trlgG= -0.003391 logG= -0.004381 TDE= -0.033684 logGD-logG0= -0.009490 tlogG= -0.007374 logG= -0.016865 logGD-logG0= -0.009405 tlogG= -0.008002 logG= -0.017407 Density= 0.138422 ETOT(band)= 0.001644 trlgG= -0.017613 logG= -0.017407 TDE= -0.134082 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.140958 ETOT(band)= 0.004003 trlgG= -0.015029 logG= -0.016865 TDE= -0.134494 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009745 tlogG= -0.007252 logG= -0.016997 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.145217 ETOT(band)= 0.007551 trlgG= -0.011595 logG= -0.016997 TDE= -0.135046 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009439 tlogG= -0.008476 logG= -0.017914 Density= 0.140740 ETOT(band)= 0.003719 trlgG= -0.016227 logG= -0.017914 TDE= -0.134432 logGD-logG0= -0.004703 tlogG= -0.004040 logG= -0.008743 Density= 0.069792 ETOT(band)= 0.001397 trlgG= -0.008329 logG= -0.008743 TDE= -0.067087 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009471 tlogG= -0.006919 logG= -0.016389 Density= 0.139042 ETOT(band)= 0.002413 trlgG= -0.016105 logG= -0.016389 TDE= -0.134192 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009623 tlogG= -0.005346 logG= -0.014969 Density= 0.134451 ETOT(band)= -0.002384 trlgG= -0.019533 logG= -0.014969 TDE= -0.134600 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009524 tlogG= -0.006371 logG= -0.015895 Density= 0.136933 ETOT(band)= 0.000006 trlgG= -0.018005 logG= -0.015895 TDE= -0.134547 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009698 tlogG= -0.004970 logG= -0.014668 Density= 0.132062 ETOT(band)= -0.004606 trlgG= -0.021606 logG= -0.014668 TDE= -0.134665 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019209 tlogG= -0.013346 logG= -0.032554 Density= 0.285215 ETOT(band)= 0.010817 trlgG= -0.026367 logG= -0.032554 TDE= -0.269663 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004790 tlogG= -0.002844 logG= -0.007633 Density= 0.068542 ETOT(band)= 0.000332 trlgG= -0.008477 logG= -0.007633 TDE= -0.067135 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018850 tlogG= -0.015838 logG= -0.034688 Density= 0.279949 ETOT(band)= 0.006225 trlgG= -0.032505 logG= -0.034688 TDE= -0.268574 logGD-logG0= -0.009371 tlogG= -0.009076 logG= -0.018447 Density= 0.139284 ETOT(band)= 0.002336 trlgG= -0.017999 logG= -0.018447 TDE= -0.134263 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009827 tlogG= -0.006840 logG= -0.016667 Density= 0.146044 ETOT(band)= 0.007980 trlgG= -0.010983 logG= -0.016667 TDE= -0.135565 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018957 tlogG= -0.014025 logG= -0.032981 Density= 0.276812 ETOT(band)= 0.003101 trlgG= -0.034057 logG= -0.032981 TDE= -0.268798 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009541 tlogG= -0.007585 logG= -0.017126 Density= 0.142611 ETOT(band)= 0.005470 trlgG= -0.013810 logG= -0.017126 TDE= -0.134612 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009707 tlogG= -0.005752 logG= -0.015459 Density= 0.142293 ETOT(band)= 0.005033 trlgG= -0.012915 logG= -0.015459 TDE= -0.135077 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019114 tlogG= -0.011766 logG= -0.030880 Density= 0.276816 ETOT(band)= 0.003379 trlgG= -0.032230 logG= -0.030880 TDE= -0.269076 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009509 tlogG= -0.006716 logG= -0.016224 Density= 0.140757 ETOT(band)= 0.004051 trlgG= -0.014453 logG= -0.016224 TDE= -0.134363 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003142 tlogG= 0.070404 logG= 0.067262 Density= 0.046127 ETOT(band)= 0.000502 trlgG= 0.067182 logG= 0.067262 TDE= -0.044693 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003116 tlogG= 0.069727 logG= 0.066611 Density= 0.045666 ETOT(band)= 0.000042 trlgG= 0.066040 logG= 0.066611 TDE= -0.044737 logGD-logG0= -0.003124 tlogG= 0.070007 logG= 0.066884 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Density= 0.046045 ETOT(band)= 0.000391 trlgG= 0.066694 logG= 0.066884 TDE= -0.044723 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002337 tlogG= 0.052314 logG= 0.049977 Density= 0.034317 ETOT(band)= 0.000086 trlgG= 0.049612 logG= 0.049977 TDE= -0.033556 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009421 tlogG= 0.211089 logG= 0.201668 Density= 0.139058 ETOT(band)= 0.002145 trlgG= 0.201954 logG= 0.201668 TDE= -0.134206 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009366 tlogG= 0.210034 logG= 0.200668 Density= 0.138123 ETOT(band)= 0.001223 trlgG= 0.200060 logG= 0.200668 TDE= -0.134196 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004675 tlogG= 0.104837 logG= 0.100162 Density= 0.068897 ETOT(band)= 0.000424 trlgG= 0.099698 logG= 0.100162 TDE= -0.067099 logGD-logG0= -0.009401 tlogG= 0.210731 logG= 0.201331 Density= 0.138676 ETOT(band)= 0.001798 trlgG= 0.201298 logG= 0.201331 TDE= -0.134155 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.70305898296828 eV TrLogG= -11.6826603781227 eV Ratio to renormalize= 0.999999999734 rho-rho_expected= 0.000000004260 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 89) Finished k-point number 90 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 93) Finished k-point number 94 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 88) Finished k-point number 89 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 55) Finished k-point number 56 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 99) Finished k-point number 100 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933276394902466 0.930037038981961 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 16) Finished k-point number 17 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 17) Finished k-point number 18 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1589391637299 Density= 16.0003192450778 16.0000000000000 EF 12.8868253316163 Density= 15.3552240438680 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96716428 0.94716428 0.319245E-03 -0.644776 1 0.96715438 0.94716428 0.432643E-04 -0.644776 2 0.96715283 0.96715438 -0.256501E-09 0.432643E-04 3 0.96715283 0.96715283 0.253208E-08 -0.256501E-09 4 0.96715283 0.96715283 0.253208E-08 -0.256501E-09 Absolute convergence of the X interval. Difference in EF= -0.0001557717 EF set to : 13.1587833920 new EF (no-mixing): 13.1587833920 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001217 tlogG= -0.001260 logG= -0.002477 Density= 0.018872 ETOT(band)= 0.000985 trlgG= -0.001773 logG= -0.002477 TDE= -0.017548 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009715 tlogG= -0.009621 logG= -0.019336 Density= 0.150873 ETOT(band)= 0.008137 trlgG= -0.013460 logG= -0.019336 TDE= -0.140042 logGD-logG0= -0.002427 tlogG= -0.002427 logG= -0.004854 Density= 0.037693 ETOT(band)= 0.002064 trlgG= -0.003359 logG= -0.004854 TDE= -0.034960 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004853 tlogG= -0.004665 logG= -0.009519 Density= 0.075413 ETOT(band)= 0.004151 trlgG= -0.006501 logG= -0.009519 TDE= -0.069918 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002432 tlogG= -0.002105 logG= -0.004537 Density= 0.037226 ETOT(band)= 0.002082 trlgG= -0.003080 logG= -0.004537 TDE= -0.034546 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009742 tlogG= -0.008766 logG= -0.018508 Density= 0.149895 ETOT(band)= 0.008556 trlgG= -0.012370 logG= -0.018508 TDE= -0.138833 logGD-logG0= -0.001585 tlogG= -0.001315 logG= -0.002900 Density= 0.022669 ETOT(band)= -0.000469 trlgG= -0.003700 logG= -0.002900 TDE= -0.022725 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004872 tlogG= -0.004244 logG= -0.009116 Density= 0.075048 ETOT(band)= 0.004161 trlgG= -0.006160 logG= -0.009116 TDE= -0.069628 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009738 tlogG= -0.006795 logG= -0.016532 logGD-logG0= -0.009737 tlogG= -0.008162 logG= -0.017899 Density= 0.145251 ETOT(band)= 0.005214 trlgG= -0.013701 logG= -0.016532 TDE= -0.137649 Density= 0.149740 ETOT(band)= 0.008523 trlgG= -0.011787 logG= -0.017899 TDE= -0.138710 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009750 tlogG= -0.008898 logG= -0.018648 Density= 0.150369 ETOT(band)= 0.008572 trlgG= -0.012441 logG= -0.018648 TDE= -0.139224 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009711 tlogG= -0.007905 logG= -0.017616 Density= 0.149213 ETOT(band)= 0.009047 trlgG= -0.010972 logG= -0.017616 TDE= -0.137668 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019438 tlogG= -0.014990 logG= -0.034429 Density= 0.298173 ETOT(band)= 0.017589 trlgG= -0.021545 logG= -0.034429 TDE= -0.275495 logGD-logG0= -0.019472 tlogG= -0.016103 logG= -0.035576 Density= 0.299628 ETOT(band)= 0.016965 trlgG= -0.023434 logG= -0.035576 TDE= -0.277645 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009739 tlogG= -0.006750 logG= -0.016488 Density= 0.147312 ETOT(band)= 0.007349 trlgG= -0.011537 logG= -0.016488 TDE= -0.137522 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003147 tlogG= -0.002552 logG= -0.005699 Density= 0.045407 ETOT(band)= -0.000520 trlgG= -0.006853 logG= -0.005699 TDE= -0.045069 logGD-logG0= -0.003165 tlogG= -0.002525 logG= -0.005690 Density= 0.045156 ETOT(band)= -0.000944 trlgG= -0.007341 logG= -0.005690 TDE= -0.045324 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003119 tlogG= -0.002606 logG= -0.005725 Density= 0.045702 ETOT(band)= 0.000009 trlgG= -0.006272 logG= -0.005725 TDE= -0.044748 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009502 tlogG= -0.007453 logG= -0.016955 Density= 0.136144 ETOT(band)= -0.002448 trlgG= -0.021530 logG= -0.016955 TDE= -0.136247 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009494 tlogG= -0.007369 logG= -0.016863 Density= 0.136005 ETOT(band)= -0.002402 trlgG= -0.021410 logG= -0.016863 TDE= -0.136085 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009511 tlogG= -0.006673 logG= -0.016185 Density= 0.137479 ETOT(band)= -0.000851 trlgG= -0.019242 logG= -0.016185 TDE= -0.136021 logGD-logG0= -0.009481 tlogG= -0.007299 logG= -0.016780 Density= 0.136059 ETOT(band)= -0.002003 trlgG= -0.020902 logG= -0.016780 TDE= -0.135712 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009800 tlogG= -0.007252 logG= -0.017052 Density= 0.147436 ETOT(band)= 0.007826 trlgG= -0.011638 logG= -0.017052 TDE= -0.137179 logGD-logG0= -0.009425 tlogG= -0.007371 logG= -0.016796 Density= 0.136778 ETOT(band)= -0.000656 trlgG= -0.019332 logG= -0.016796 TDE= -0.134821 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009744 tlogG= -0.007667 logG= -0.017412 Density= 0.148496 ETOT(band)= 0.009152 trlgG= -0.010669 logG= -0.017412 TDE= -0.136876 logGD-logG0= -0.009811 tlogG= -0.006548 logG= -0.016359 Density= 0.143431 ETOT(band)= 0.004058 trlgG= -0.014546 logG= -0.016359 TDE= -0.136906 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009608 tlogG= -0.006395 logG= -0.016003 Density= 0.140421 ETOT(band)= 0.002321 trlgG= -0.015929 logG= -0.016003 TDE= -0.135735 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009483 tlogG= -0.006543 logG= -0.016025 Density= 0.137199 ETOT(band)= -0.000636 trlgG= -0.018825 logG= -0.016025 TDE= -0.135492 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009518 tlogG= -0.006644 logG= -0.016163 Density= 0.137434 ETOT(band)= -0.000818 trlgG= -0.019218 logG= -0.016163 TDE= -0.135975 logGD-logG0= -0.009460 tlogG= -0.007331 logG= -0.016790 Density= 0.136301 ETOT(band)= -0.001587 trlgG= -0.020414 logG= -0.016790 TDE= -0.135447 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009500 tlogG= -0.006857 logG= -0.016357 Density= 0.138073 ETOT(band)= 0.000106 trlgG= -0.018247 logG= -0.016357 TDE= -0.135428 logGD-logG0= -0.009567 tlogG= -0.005961 logG= -0.015528 Density= 0.137947 ETOT(band)= -0.000278 trlgG= -0.017995 logG= -0.015528 TDE= -0.135883 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004806 tlogG= -0.002576 logG= -0.007383 Density= 0.065568 ETOT(band)= -0.003059 trlgG= -0.011420 logG= -0.007383 TDE= -0.067451 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009449 tlogG= -0.006847 logG= -0.016296 Density= 0.138714 ETOT(band)= 0.001462 trlgG= -0.016974 logG= -0.016296 TDE= -0.134836 logGD-logG0= -0.009546 tlogG= -0.005640 logG= -0.015186 Density= 0.136804 ETOT(band)= -0.000875 trlgG= -0.018283 logG= -0.015186 TDE= -0.135408 logGD-logG0= -0.004804 tlogG= -0.003094 logG= -0.007898 logGD-logG0= -0.009612 tlogG= -0.006021 logG= -0.015634 Density= 0.135525 ETOT(band)= -0.002948 trlgG= -0.020679 logG= -0.015634 TDE= -0.136119 Density= 0.067306 ETOT(band)= -0.002092 trlgG= -0.011041 logG= -0.007898 TDE= -0.068237 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009593 tlogG= -0.005624 logG= -0.015217 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.133388 ETOT(band)= -0.004603 trlgG= -0.021823 logG= -0.015217 TDE= -0.135613 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009697 tlogG= -0.006636 logG= -0.016332 Density= 0.143926 ETOT(band)= 0.006022 trlgG= -0.012529 logG= -0.016332 TDE= -0.135395 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009813 tlogG= -0.006619 logG= -0.016432 Density= 0.144600 ETOT(band)= 0.004699 trlgG= -0.014092 logG= -0.016432 TDE= -0.137511 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009581 tlogG= -0.006164 logG= -0.015745 Density= 0.138561 ETOT(band)= 0.000296 trlgG= -0.017588 logG= -0.015745 TDE= -0.135853 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009503 tlogG= -0.006869 logG= -0.016372 Density= 0.137028 ETOT(band)= -0.001368 trlgG= -0.019968 logG= -0.016372 TDE= -0.136123 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019205 tlogG= -0.010878 logG= -0.030083 Density= 0.271862 ETOT(band)= -0.003965 trlgG= -0.038443 logG= -0.030083 TDE= -0.271292 logGD-logG0= -0.019109 tlogG= -0.012019 logG= -0.031129 Density= 0.277669 ETOT(band)= 0.001445 trlgG= -0.034146 logG= -0.031129 TDE= -0.271566 logGD-logG0= -0.019652 tlogG= -0.012880 logG= -0.032532 logGD-logG0= -0.018994 tlogG= -0.013733 logG= -0.032728 Density= 0.287666 ETOT(band)= 0.008413 trlgG= -0.028730 logG= -0.032532 TDE= -0.274415 Density= 0.274211 ETOT(band)= -0.002127 trlgG= -0.039185 logG= -0.032728 TDE= -0.271662 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019029 tlogG= -0.012431 logG= -0.031460 Density= 0.278690 ETOT(band)= 0.003880 trlgG= -0.032197 logG= -0.031460 TDE= -0.270273 logGD-logG0= -0.019021 tlogG= -0.011706 logG= -0.030727 Density= 0.276165 ETOT(band)= 0.001262 trlgG= -0.033793 logG= -0.030727 TDE= -0.270159 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019230 tlogG= -0.011496 logG= -0.030726 logGD-logG0= -0.019130 tlogG= -0.012173 logG= -0.031303 Density= 0.278040 ETOT(band)= 0.001514 trlgG= -0.034279 logG= -0.031303 TDE= -0.271883 Density= 0.275673 ETOT(band)= -0.000862 trlgG= -0.035894 logG= -0.030726 TDE= -0.271786 logGD-logG0= -0.018923 tlogG= -0.013791 logG= -0.032715 Density= 0.274861 ETOT(band)= -0.000326 trlgG= -0.037004 logG= -0.032715 TDE= -0.270122 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019255 tlogG= -0.010207 logG= -0.029462 Density= 0.266114 ETOT(band)= -0.008621 trlgG= -0.042308 logG= -0.029462 TDE= -0.270218 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004894 tlogG= -0.003628 logG= -0.008522 Density= 0.074582 ETOT(band)= 0.004264 trlgG= -0.005442 logG= -0.008522 TDE= -0.069053 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019621 tlogG= -0.012975 logG= -0.032596 Density= 0.290555 ETOT(band)= 0.013519 trlgG= -0.023585 logG= -0.032596 TDE= -0.272001 logGD-logG0= -0.019388 tlogG= -0.012143 logG= -0.031530 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019098 tlogG= -0.012321 logG= -0.031419 Density= 0.282471 ETOT(band)= 0.005526 trlgG= -0.030544 logG= -0.031530 TDE= -0.272206 Density= 0.277728 ETOT(band)= 0.001781 trlgG= -0.033966 logG= -0.031419 TDE= -0.271153 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009613 tlogG= -0.005453 logG= -0.015065 Density= 0.132892 ETOT(band)= -0.005053 trlgG= -0.022071 logG= -0.015065 TDE= -0.135533 logGD-logG0= -0.000389 tlogG= 0.008700 logG= 0.008311 Density= 0.005692 ETOT(band)= -0.000012 trlgG= 0.008223 logG= 0.008311 TDE= -0.005593 logGD-logG0= -0.019318 tlogG= -0.010553 logG= -0.029870 Density= 0.279917 ETOT(band)= 0.004104 trlgG= -0.030168 logG= -0.029870 TDE= -0.271020 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019305 tlogG= -0.010108 logG= -0.029413 Density= 0.269011 ETOT(band)= -0.006623 trlgG= -0.040250 logG= -0.029413 TDE= -0.271011 logGD-logG0= -0.019284 tlogG= -0.010632 logG= -0.029916 Density= 0.273049 ETOT(band)= -0.003405 trlgG= -0.037565 logG= -0.029916 TDE= -0.271729 logGD-logG0= -0.009710 tlogG= -0.004832 logG= -0.014542 Density= 0.132429 ETOT(band)= -0.004959 trlgG= -0.021815 logG= -0.014542 TDE= -0.135352 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019252 tlogG= -0.011681 logG= -0.030933 Density= 0.269268 ETOT(band)= -0.007694 trlgG= -0.042832 logG= -0.030933 TDE= -0.272323 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009693 tlogG= -0.005249 logG= -0.014942 Density= 0.140747 ETOT(band)= 0.002556 trlgG= -0.014625 logG= -0.014942 TDE= -0.135807 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019508 tlogG= -0.011956 logG= -0.031463 Density= 0.281702 ETOT(band)= 0.003484 trlgG= -0.032453 logG= -0.031463 TDE= -0.273438 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019422 tlogG= -0.011203 logG= -0.030625 Density= 0.279803 ETOT(band)= 0.002977 trlgG= -0.032201 logG= -0.030625 TDE= -0.272189 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009817 tlogG= -0.006090 logG= -0.015906 Density= 0.144813 ETOT(band)= 0.006071 trlgG= -0.012112 logG= -0.015906 TDE= -0.136262 logGD-logG0= -0.019233 tlogG= -0.010635 logG= -0.029868 Density= 0.277158 ETOT(band)= 0.002311 trlgG= -0.032391 logG= -0.029868 TDE= -0.270577 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004817 tlogG= -0.002669 logG= -0.007486 Density= 0.068521 ETOT(band)= -0.000618 trlgG= -0.009175 logG= -0.007486 TDE= -0.067960 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009624 tlogG= -0.005496 logG= -0.015120 Density= 0.135618 ETOT(band)= -0.002696 trlgG= -0.019806 logG= -0.015120 TDE= -0.135849 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009611 tlogG= -0.005150 logG= -0.014760 Density= 0.136235 ETOT(band)= -0.001794 trlgG= -0.018593 logG= -0.014760 TDE= -0.135593 logGD-logG0= -0.009633 tlogG= -0.005289 logG= -0.014922 Density= 0.136981 ETOT(band)= -0.001183 trlgG= -0.018288 logG= -0.014922 TDE= -0.135848 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002446 tlogG= -0.001897 logG= -0.004343 Density= 0.036963 ETOT(band)= 0.002322 trlgG= -0.002593 logG= -0.004343 TDE= -0.033999 logGD-logG0= -0.002396 tlogG= -0.001985 logG= -0.004381 Density= 0.035852 ETOT(band)= 0.001515 trlgG= -0.003391 logG= -0.004381 TDE= -0.033684 logGD-logG0= -0.009423 tlogG= -0.007770 logG= -0.017193 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.138136 ETOT(band)= 0.001246 trlgG= -0.017790 logG= -0.017193 TDE= -0.134196 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002345 tlogG= -0.002352 logG= -0.004697 Density= 0.034796 ETOT(band)= 0.000553 trlgG= -0.004625 logG= -0.004697 TDE= -0.033581 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009470 tlogG= -0.007414 logG= -0.016884 Density= 0.137028 ETOT(band)= -0.000103 trlgG= -0.018824 logG= -0.016884 TDE= -0.134467 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009405 tlogG= -0.008002 logG= -0.017407 Density= 0.138422 ETOT(band)= 0.001643 trlgG= -0.017613 logG= -0.017407 TDE= -0.134082 logGD-logG0= -0.009745 tlogG= -0.007252 logG= -0.016997 Density= 0.145216 ETOT(band)= 0.007549 trlgG= -0.011596 logG= -0.016997 TDE= -0.135046 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009490 tlogG= -0.007374 logG= -0.016864 Density= 0.140958 ETOT(band)= 0.004002 trlgG= -0.015031 logG= -0.016864 TDE= -0.134494 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009438 tlogG= -0.008476 logG= -0.017914 Density= 0.140740 ETOT(band)= 0.003718 trlgG= -0.016229 logG= -0.017914 TDE= -0.134432 logGD-logG0= -0.004702 tlogG= -0.004039 logG= -0.008741 Density= 0.069792 ETOT(band)= 0.001396 trlgG= -0.008328 logG= -0.008741 TDE= -0.067087 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009623 tlogG= -0.005346 logG= -0.014969 Density= 0.134447 ETOT(band)= -0.002390 trlgG= -0.019538 logG= -0.014969 TDE= -0.134600 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009471 tlogG= -0.006918 logG= -0.016389 Density= 0.139043 ETOT(band)= 0.002413 trlgG= -0.016105 logG= -0.016389 TDE= -0.134192 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009524 tlogG= -0.006371 logG= -0.015894 Density= 0.136934 ETOT(band)= 0.000005 trlgG= -0.018005 logG= -0.015894 TDE= -0.134546 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004790 tlogG= -0.002842 logG= -0.007632 Density= 0.068540 ETOT(band)= 0.000330 trlgG= -0.008478 logG= -0.007632 TDE= -0.067134 logGD-logG0= -0.018850 tlogG= -0.015838 logG= -0.034688 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.279948 ETOT(band)= 0.006222 trlgG= -0.032509 logG= -0.034688 TDE= -0.268573 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019208 tlogG= -0.013345 logG= -0.032553 Density= 0.285212 ETOT(band)= 0.010811 trlgG= -0.026371 logG= -0.032553 TDE= -0.269662 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009371 tlogG= -0.009076 logG= -0.018447 Density= 0.139284 ETOT(band)= 0.002335 trlgG= -0.018001 logG= -0.018447 TDE= -0.134262 logGD-logG0= -0.009698 tlogG= -0.004968 logG= -0.014665 Density= 0.132061 ETOT(band)= -0.004608 trlgG= -0.021606 logG= -0.014665 TDE= -0.134664 logGD-logG0= -0.009541 tlogG= -0.007585 logG= -0.017126 Density= 0.142611 ETOT(band)= 0.005468 trlgG= -0.013812 logG= -0.017126 TDE= -0.134612 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009707 tlogG= -0.005751 logG= -0.015459 Density= 0.142291 ETOT(band)= 0.005030 trlgG= -0.012918 logG= -0.015459 TDE= -0.135077 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009827 tlogG= -0.006840 logG= -0.016667 Density= 0.146044 ETOT(band)= 0.007979 trlgG= -0.010984 logG= -0.016667 TDE= -0.135564 logGD-logG0= -0.018956 tlogG= -0.014026 logG= -0.032982 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.276812 ETOT(band)= 0.003097 trlgG= -0.034059 logG= -0.032982 TDE= -0.268798 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009509 tlogG= -0.006713 logG= -0.016222 Density= 0.140756 ETOT(band)= 0.004049 trlgG= -0.014453 logG= -0.016222 TDE= -0.134363 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019113 tlogG= -0.011768 logG= -0.030881 Density= 0.276816 ETOT(band)= 0.003375 trlgG= -0.032233 logG= -0.030881 TDE= -0.269075 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003116 tlogG= 0.069726 logG= 0.066610 Density= 0.045666 ETOT(band)= 0.000042 trlgG= 0.066039 logG= 0.066610 TDE= -0.044737 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003124 tlogG= 0.070006 logG= 0.066883 Density= 0.046045 ETOT(band)= 0.000391 trlgG= 0.066693 logG= 0.066883 TDE= -0.044723 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003142 tlogG= 0.070403 logG= 0.067261 Density= 0.046127 ETOT(band)= 0.000502 trlgG= 0.067180 logG= 0.067261 TDE= -0.044693 logGD-logG0= -0.002337 tlogG= 0.052313 logG= 0.049976 Density= 0.034317 ETOT(band)= 0.000086 trlgG= 0.049611 logG= 0.049976 TDE= -0.033555 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009421 tlogG= 0.211087 logG= 0.201665 Density= 0.139058 ETOT(band)= 0.002144 trlgG= 0.201950 logG= 0.201665 TDE= -0.134206 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009366 tlogG= 0.210031 logG= 0.200665 Density= 0.138124 ETOT(band)= 0.001222 trlgG= 0.200056 logG= 0.200665 TDE= -0.134196 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004675 tlogG= 0.104836 logG= 0.100161 Density= 0.068897 ETOT(band)= 0.000423 trlgG= 0.099696 logG= 0.100161 TDE= -0.067099 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009401 tlogG= 0.210728 logG= 0.201328 Density= 0.138676 ETOT(band)= 0.001796 trlgG= 0.201294 logG= 0.201328 TDE= -0.134155 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.70101444060775 eV TrLogG= -11.6844840253547 eV Ratio to renormalize= 0.999999999576 rho-rho_expected= 0.000000006789 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 64) Finished k-point number 65 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 79) Finished k-point number 80 1 with #bands= 20 18) Finished k-point number 19 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 95) Finished k-point number 96 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 92) Finished k-point number 93 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 97) Finished k-point number 98 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 102) Finished k-point number 103 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 61) Finished k-point number 62 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 99) Finished k-point number 100 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933250994338394 0.930046366365718 7) Finished k-point number 8 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 11) Finished k-point number 12 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 44) Finished k-point number 45 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 47) Finished k-point number 48 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 45) Finished k-point number 46 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 67) Finished k-point number 68 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 76) Finished k-point number 77 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 75) Finished k-point number 76 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 71) Finished k-point number 72 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 39) Finished k-point number 40 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 24) Finished k-point number 25 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 59) Finished k-point number 60 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1587833920246 Density= 15.9989355446150 16.0000000000000 EF 13.4308972241382 Density= 16.5086060188996 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98715283 0.96715283 0.508606 -0.106446E-02 1 0.97715283 0.96715285 0.263369 -0.106446E-02 2 0.97215284 0.96715260 0.134443 -0.106446E-02 3 0.96965272 0.96715272 0.676348E-01 -0.106446E-02 4 0.96840272 0.96715266 0.335405E-01 -0.106446E-02 5 0.96777769 0.96715293 0.163026E-01 -0.106446E-02 6 0.96746531 0.96715303 0.763755E-02 -0.106446E-02 7 0.96730917 0.96715298 0.329373E-02 -0.106446E-02 8 0.96723108 0.96715277 0.111787E-02 -0.106446E-02 9 0.96719192 0.96715287 0.261638E-04 -0.106446E-02 10 0.96719099 0.96715287 0.510320E-07 -0.106446E-02 11 0.96719098 0.96715287 0.152767E-11 -0.106446E-02 Absolute convergence of |F(X)|. Difference in EF= 0.0005191556 EF set to : 13.1593025476 new EF (no-mixing): 13.1593025476 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001217 tlogG= -0.001261 logG= -0.002477 Density= 0.018871 ETOT(band)= 0.000985 trlgG= -0.001773 logG= -0.002477 TDE= -0.017548 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009715 tlogG= -0.009622 logG= -0.019337 Density= 0.150871 ETOT(band)= 0.008139 trlgG= -0.013460 logG= -0.019337 TDE= -0.140043 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002427 tlogG= -0.002427 logG= -0.004854 Density= 0.037692 ETOT(band)= 0.002064 trlgG= -0.003359 logG= -0.004854 TDE= -0.034960 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004853 tlogG= -0.004666 logG= -0.009519 Density= 0.075411 ETOT(band)= 0.004151 trlgG= -0.006501 logG= -0.009519 TDE= -0.069919 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002432 tlogG= -0.002105 logG= -0.004537 Density= 0.037225 ETOT(band)= 0.002082 trlgG= -0.003080 logG= -0.004537 TDE= -0.034546 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009742 tlogG= -0.008766 logG= -0.018508 Density= 0.149891 ETOT(band)= 0.008557 trlgG= -0.012370 logG= -0.018508 TDE= -0.138835 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009737 tlogG= -0.008162 logG= -0.017899 Density= 0.149735 ETOT(band)= 0.008523 trlgG= -0.011788 logG= -0.017899 TDE= -0.138711 logGD-logG0= -0.009738 tlogG= -0.006796 logG= -0.016533 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.145253 ETOT(band)= 0.005220 trlgG= -0.013695 logG= -0.016533 TDE= -0.137650 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004872 tlogG= -0.004244 logG= -0.009115 Density= 0.075046 ETOT(band)= 0.004161 trlgG= -0.006160 logG= -0.009115 TDE= -0.069629 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001585 tlogG= -0.001315 logG= -0.002900 Density= 0.022669 ETOT(band)= -0.000469 trlgG= -0.003700 logG= -0.002900 TDE= -0.022725 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009750 tlogG= -0.008898 logG= -0.018648 Density= 0.150366 ETOT(band)= 0.008573 trlgG= -0.012441 logG= -0.018648 TDE= -0.139225 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009711 tlogG= -0.007906 logG= -0.017616 Density= 0.149209 ETOT(band)= 0.009048 trlgG= -0.010972 logG= -0.017616 TDE= -0.137669 logGD-logG0= -0.019439 tlogG= -0.014990 logG= -0.034429 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.298162 ETOT(band)= 0.017589 trlgG= -0.021546 logG= -0.034429 TDE= -0.275498 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019473 tlogG= -0.016104 logG= -0.035576 Density= 0.299620 ETOT(band)= 0.016967 trlgG= -0.023434 logG= -0.035576 TDE= -0.277648 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009739 tlogG= -0.006750 logG= -0.016489 Density= 0.147310 ETOT(band)= 0.007351 trlgG= -0.011536 logG= -0.016489 TDE= -0.137524 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009502 tlogG= -0.007452 logG= -0.016954 Density= 0.136142 ETOT(band)= -0.002445 trlgG= -0.021526 logG= -0.016954 TDE= -0.136248 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003165 tlogG= -0.002525 logG= -0.005690 Density= 0.045155 ETOT(band)= -0.000943 trlgG= -0.007341 logG= -0.005690 TDE= -0.045324 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003119 tlogG= -0.002607 logG= -0.005726 Density= 0.045702 ETOT(band)= 0.000010 trlgG= -0.006273 logG= -0.005726 TDE= -0.044748 logGD-logG0= -0.003147 tlogG= -0.002553 logG= -0.005700 Density= 0.045407 ETOT(band)= -0.000519 trlgG= -0.006852 logG= -0.005700 TDE= -0.045070 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009496 tlogG= -0.007369 logG= -0.016865 Density= 0.136003 ETOT(band)= -0.002398 trlgG= -0.021410 logG= -0.016865 TDE= -0.136086 logGD-logG0= -0.009481 tlogG= -0.007298 logG= -0.016779 Density= 0.136057 ETOT(band)= -0.001999 trlgG= -0.020899 logG= -0.016779 TDE= -0.135713 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009425 tlogG= -0.007371 logG= -0.016795 Density= 0.136776 ETOT(band)= -0.000653 trlgG= -0.019328 logG= -0.016795 TDE= -0.134822 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009460 tlogG= -0.007329 logG= -0.016790 Density= 0.136299 ETOT(band)= -0.001584 trlgG= -0.020411 logG= -0.016790 TDE= -0.135448 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009483 tlogG= -0.006543 logG= -0.016026 Density= 0.137199 ETOT(band)= -0.000632 trlgG= -0.018822 logG= -0.016026 TDE= -0.135493 logGD-logG0= -0.009511 tlogG= -0.006675 logG= -0.016186 Density= 0.137478 ETOT(band)= -0.000848 trlgG= -0.019240 logG= -0.016186 TDE= -0.136022 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009811 tlogG= -0.006549 logG= -0.016360 Density= 0.143431 ETOT(band)= 0.004063 trlgG= -0.014542 logG= -0.016360 TDE= -0.136907 logGD-logG0= -0.009745 tlogG= -0.007668 logG= -0.017412 Density= 0.148491 ETOT(band)= 0.009152 trlgG= -0.010670 logG= -0.017412 TDE= -0.136877 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009608 tlogG= -0.006395 logG= -0.016003 Density= 0.140423 ETOT(band)= 0.002327 trlgG= -0.015923 logG= -0.016003 TDE= -0.135736 logGD-logG0= -0.009501 tlogG= -0.006860 logG= -0.016361 Density= 0.138072 ETOT(band)= 0.000110 trlgG= -0.018248 logG= -0.016361 TDE= -0.135429 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009449 tlogG= -0.006847 logG= -0.016296 Density= 0.138714 ETOT(band)= 0.001467 trlgG= -0.016970 logG= -0.016296 TDE= -0.134837 logGD-logG0= -0.009518 tlogG= -0.006643 logG= -0.016161 Density= 0.137433 ETOT(band)= -0.000814 trlgG= -0.019213 logG= -0.016161 TDE= -0.135976 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004804 tlogG= -0.003094 logG= -0.007899 Density= 0.067305 ETOT(band)= -0.002090 trlgG= -0.011040 logG= -0.007899 TDE= -0.068238 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004806 tlogG= -0.002575 logG= -0.007382 Density= 0.065560 ETOT(band)= -0.003065 trlgG= -0.011424 logG= -0.007382 TDE= -0.067452 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009697 tlogG= -0.006637 logG= -0.016334 Density= 0.143928 ETOT(band)= 0.006029 trlgG= -0.012524 logG= -0.016334 TDE= -0.135396 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009503 tlogG= -0.006868 logG= -0.016371 Density= 0.137026 ETOT(band)= -0.001365 trlgG= -0.019964 logG= -0.016371 TDE= -0.136124 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009581 tlogG= -0.006164 logG= -0.015745 Density= 0.138562 ETOT(band)= 0.000302 trlgG= -0.017584 logG= -0.015745 TDE= -0.135854 logGD-logG0= -0.009593 tlogG= -0.005623 logG= -0.015215 Density= 0.133384 ETOT(band)= -0.004602 trlgG= -0.021821 logG= -0.015215 TDE= -0.135614 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009813 tlogG= -0.006619 logG= -0.016432 logGD-logG0= -0.018995 tlogG= -0.013733 logG= -0.032727 Density= 0.144611 ETOT(band)= 0.004714 trlgG= -0.014079 logG= -0.016432 TDE= -0.137512 Density= 0.274209 ETOT(band)= -0.002119 trlgG= -0.039179 logG= -0.032727 TDE= -0.271664 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019652 tlogG= -0.012880 logG= -0.032532 Density= 0.287670 ETOT(band)= 0.008427 trlgG= -0.028718 logG= -0.032532 TDE= -0.274418 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009799 tlogG= -0.007252 logG= -0.017051 Density= 0.147430 ETOT(band)= 0.007825 trlgG= -0.011639 logG= -0.017051 TDE= -0.137180 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004894 tlogG= -0.003628 logG= -0.008522 Density= 0.074581 ETOT(band)= 0.004265 trlgG= -0.005442 logG= -0.008522 TDE= -0.069054 logGD-logG0= -0.009712 tlogG= -0.004834 logG= -0.014546 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.132440 ETOT(band)= -0.004943 trlgG= -0.021804 logG= -0.014546 TDE= -0.135353 logGD-logG0= -0.019025 tlogG= -0.012429 logG= -0.031455 Density= 0.278691 ETOT(band)= 0.003888 trlgG= -0.032182 logG= -0.031455 TDE= -0.270275 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019203 tlogG= -0.010875 logG= -0.030078 Density= 0.271867 ETOT(band)= -0.003952 trlgG= -0.038425 logG= -0.030078 TDE= -0.271294 logGD-logG0= -0.000389 tlogG= 0.008700 logG= 0.008311 Density= 0.005692 ETOT(band)= -0.000011 trlgG= 0.008224 logG= 0.008311 TDE= -0.005593 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009613 tlogG= -0.005451 logG= -0.015065 logGD-logG0= -0.019021 tlogG= -0.011704 logG= -0.030725 logGD-logG0= -0.019321 tlogG= -0.010548 logG= -0.029869 Density= 0.276164 ETOT(band)= 0.001271 trlgG= -0.033783 logG= -0.030725 TDE= -0.270161 Density= 0.132888 ETOT(band)= -0.005051 trlgG= -0.022070 logG= -0.015065 TDE= -0.135533 Density= 0.279951 ETOT(band)= 0.004148 trlgG= -0.030125 logG= -0.029869 TDE= -0.271022 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019101 tlogG= -0.012324 logG= -0.031425 logGD-logG0= -0.009567 tlogG= -0.005960 logG= -0.015527 Density= 0.137946 ETOT(band)= -0.000274 trlgG= -0.017991 logG= -0.015527 TDE= -0.135884 Density= 0.277731 ETOT(band)= 0.001795 trlgG= -0.033960 logG= -0.031425 TDE= -0.271155 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018922 tlogG= -0.013791 logG= -0.032713 Density= 0.274858 ETOT(band)= -0.000321 trlgG= -0.036997 logG= -0.032713 TDE= -0.270124 logGD-logG0= -0.019231 tlogG= -0.010632 logG= -0.029863 Density= 0.277139 ETOT(band)= 0.002301 trlgG= -0.032396 logG= -0.029863 TDE= -0.270580 logGD-logG0= -0.019250 tlogG= -0.011678 logG= -0.030928 Density= 0.269266 ETOT(band)= -0.007688 trlgG= -0.042821 logG= -0.030928 TDE= -0.272325 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009693 tlogG= -0.005249 logG= -0.014942 Density= 0.140750 ETOT(band)= 0.002564 trlgG= -0.014618 logG= -0.014942 TDE= -0.135808 logGD-logG0= -0.009546 tlogG= -0.005640 logG= -0.015186 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136803 ETOT(band)= -0.000871 trlgG= -0.018281 logG= -0.015186 TDE= -0.135409 logGD-logG0= -0.009817 tlogG= -0.006090 logG= -0.015907 Density= 0.144814 ETOT(band)= 0.006077 trlgG= -0.012108 logG= -0.015907 TDE= -0.136264 logGD-logG0= -0.009613 tlogG= -0.006022 logG= -0.015635 Density= 0.135526 ETOT(band)= -0.002942 trlgG= -0.020675 logG= -0.015635 TDE= -0.136120 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019423 tlogG= -0.011202 logG= -0.030625 Density= 0.279809 ETOT(band)= 0.002993 trlgG= -0.032188 logG= -0.030625 TDE= -0.272191 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019285 tlogG= -0.010631 logG= -0.029916 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.273055 ETOT(band)= -0.003390 trlgG= -0.037550 logG= -0.029916 TDE= -0.271731 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019508 tlogG= -0.011955 logG= -0.031463 Density= 0.281707 ETOT(band)= 0.003500 trlgG= -0.032439 logG= -0.031463 TDE= -0.273441 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019304 tlogG= -0.010106 logG= -0.029411 Density= 0.269021 ETOT(band)= -0.006604 trlgG= -0.040229 logG= -0.029411 TDE= -0.271013 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009633 tlogG= -0.005289 logG= -0.014922 Density= 0.136982 ETOT(band)= -0.001177 trlgG= -0.018282 logG= -0.014922 TDE= -0.135849 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009609 tlogG= -0.005149 logG= -0.014758 Density= 0.136236 ETOT(band)= -0.001789 trlgG= -0.018586 logG= -0.014758 TDE= -0.135594 logGD-logG0= -0.009625 tlogG= -0.005497 logG= -0.015122 Density= 0.135614 ETOT(band)= -0.002694 trlgG= -0.019807 logG= -0.015122 TDE= -0.135850 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004817 tlogG= -0.002669 logG= -0.007486 Density= 0.068522 ETOT(band)= -0.000615 trlgG= -0.009173 logG= -0.007486 TDE= -0.067961 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019109 tlogG= -0.012022 logG= -0.031131 Density= 0.277666 ETOT(band)= 0.001450 trlgG= -0.034144 logG= -0.031131 TDE= -0.271568 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019387 tlogG= -0.012143 logG= -0.031530 Density= 0.282460 ETOT(band)= 0.005525 trlgG= -0.030546 logG= -0.031530 TDE= -0.272208 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019130 tlogG= -0.012174 logG= -0.031304 Density= 0.278039 ETOT(band)= 0.001523 trlgG= -0.034272 logG= -0.031304 TDE= -0.271885 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002345 tlogG= -0.002352 logG= -0.004697 Density= 0.034795 ETOT(band)= 0.000554 trlgG= -0.004624 logG= -0.004697 TDE= -0.033581 logGD-logG0= -0.009423 tlogG= -0.007772 logG= -0.017195 Density= 0.138135 ETOT(band)= 0.001250 trlgG= -0.017789 logG= -0.017195 TDE= -0.134197 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009470 tlogG= -0.007413 logG= -0.016883 Density= 0.137027 ETOT(band)= -0.000100 trlgG= -0.018819 logG= -0.016883 TDE= -0.134467 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009490 tlogG= -0.007375 logG= -0.016865 Density= 0.140958 ETOT(band)= 0.004007 trlgG= -0.015026 logG= -0.016865 TDE= -0.134495 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004702 tlogG= -0.004038 logG= -0.008741 Density= 0.069792 ETOT(band)= 0.001398 trlgG= -0.008326 logG= -0.008741 TDE= -0.067087 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009439 tlogG= -0.008476 logG= -0.017914 Density= 0.140740 ETOT(band)= 0.003723 trlgG= -0.016224 logG= -0.017914 TDE= -0.134433 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009745 tlogG= -0.007253 logG= -0.016998 Density= 0.145216 ETOT(band)= 0.007554 trlgG= -0.011592 logG= -0.016998 TDE= -0.135047 logGD-logG0= -0.009405 tlogG= -0.008003 logG= -0.017408 Density= 0.138422 ETOT(band)= 0.001647 trlgG= -0.017611 logG= -0.017408 TDE= -0.134083 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002396 tlogG= -0.001985 logG= -0.004381 Density= 0.035852 ETOT(band)= 0.001517 trlgG= -0.003390 logG= -0.004381 TDE= -0.033684 logGD-logG0= -0.009471 tlogG= -0.006918 logG= -0.016389 Density= 0.139042 ETOT(band)= 0.002416 trlgG= -0.016102 logG= -0.016389 TDE= -0.134193 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002446 tlogG= -0.001897 logG= -0.004343 Density= 0.036963 ETOT(band)= 0.002322 trlgG= -0.002593 logG= -0.004343 TDE= -0.034000 logGD-logG0= -0.009524 tlogG= -0.006372 logG= -0.015896 Density= 0.136933 ETOT(band)= 0.000010 trlgG= -0.018002 logG= -0.015896 TDE= -0.134547 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009623 tlogG= -0.005347 logG= -0.014970 Density= 0.134447 ETOT(band)= -0.002385 trlgG= -0.019534 logG= -0.014970 TDE= -0.134601 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009371 tlogG= -0.009076 logG= -0.018447 logGD-logG0= -0.004790 tlogG= -0.002842 logG= -0.007631 Density= 0.139283 ETOT(band)= 0.002339 trlgG= -0.017997 logG= -0.018447 TDE= -0.134263 Density= 0.068539 ETOT(band)= 0.000331 trlgG= -0.008476 logG= -0.007631 TDE= -0.067135 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009541 tlogG= -0.007585 logG= -0.017127 Density= 0.142612 ETOT(band)= 0.005474 trlgG= -0.013807 logG= -0.017127 TDE= -0.134613 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018956 tlogG= -0.014025 logG= -0.032981 Density= 0.276812 ETOT(band)= 0.003107 trlgG= -0.034050 logG= -0.032981 TDE= -0.268799 logGD-logG0= -0.018851 tlogG= -0.015838 logG= -0.034689 Density= 0.279948 ETOT(band)= 0.006232 trlgG= -0.032500 logG= -0.034689 TDE= -0.268575 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009707 tlogG= -0.005752 logG= -0.015459 Density= 0.142294 ETOT(band)= 0.005037 trlgG= -0.012911 logG= -0.015459 TDE= -0.135078 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019257 tlogG= -0.010208 logG= -0.029465 Density= 0.266129 ETOT(band)= -0.008595 trlgG= -0.042287 logG= -0.029465 TDE= -0.270220 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019622 tlogG= -0.012980 logG= -0.032601 Density= 0.290569 ETOT(band)= 0.013543 trlgG= -0.023568 logG= -0.032601 TDE= -0.272003 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019230 tlogG= -0.011499 logG= -0.030729 Density= 0.275678 ETOT(band)= -0.000849 trlgG= -0.035884 logG= -0.030729 TDE= -0.271788 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003116 tlogG= 0.069729 logG= 0.066613 Density= 0.045666 ETOT(band)= 0.000043 trlgG= 0.066043 logG= 0.066613 TDE= -0.044738 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002337 tlogG= 0.052316 logG= 0.049979 Density= 0.034317 ETOT(band)= 0.000087 trlgG= 0.049614 logG= 0.049979 TDE= -0.033556 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003124 tlogG= 0.070009 logG= 0.066885 Density= 0.046045 ETOT(band)= 0.000392 trlgG= 0.066697 logG= 0.066885 TDE= -0.044723 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009366 tlogG= 0.210040 logG= 0.200674 Density= 0.138123 ETOT(band)= 0.001225 trlgG= 0.200068 logG= 0.200674 TDE= -0.134197 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009421 tlogG= 0.211095 logG= 0.201674 Density= 0.139057 ETOT(band)= 0.002148 trlgG= 0.201963 logG= 0.201674 TDE= -0.134206 logGD-logG0= -0.009699 tlogG= -0.004973 logG= -0.014672 Density= 0.132071 ETOT(band)= -0.004594 trlgG= -0.021599 logG= -0.014672 TDE= -0.134665 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004675 tlogG= 0.104840 logG= 0.100165 Density= 0.068896 ETOT(band)= 0.000425 trlgG= 0.099701 logG= 0.100165 TDE= -0.067099 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003142 tlogG= 0.070406 logG= 0.067264 Density= 0.046127 ETOT(band)= 0.000503 trlgG= 0.067185 logG= 0.067264 TDE= -0.044693 logGD-logG0= -0.019109 tlogG= -0.011762 logG= -0.030871 Density= 0.276804 ETOT(band)= 0.003371 trlgG= -0.032226 logG= -0.030871 TDE= -0.269077 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009401 tlogG= 0.210737 logG= 0.201336 Density= 0.138675 ETOT(band)= 0.001800 trlgG= 0.201306 logG= 0.201336 TDE= -0.134156 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009510 tlogG= -0.006717 logG= -0.016227 Density= 0.140759 ETOT(band)= 0.004057 trlgG= -0.014450 logG= -0.016227 TDE= -0.134364 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019209 tlogG= -0.013345 logG= -0.032554 Density= 0.285216 ETOT(band)= 0.010825 trlgG= -0.026360 logG= -0.032554 TDE= -0.269664 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009827 tlogG= -0.006840 logG= -0.016667 Density= 0.146043 ETOT(band)= 0.007983 trlgG= -0.010981 logG= -0.016667 TDE= -0.135566 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Sum of eigenvalues= 2.70840161402803 eV TrLogG= -11.6774311131166 eV Ratio to renormalize= 0.999999999734 rho-rho_expected= 0.000000004259 nargs= 1 argi=dmft2.def 10) Finished k-point number 11 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 81) Finished k-point number 82 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 91) Finished k-point number 92 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 74) Finished k-point number 75 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 73) Finished k-point number 74 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 60) Finished k-point number 61 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 61) Finished k-point number 62 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 102) Finished k-point number 103 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933175010138067 0.930018866344814 0) Finished k-point number 1 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 16) Finished k-point number 17 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 17) Finished k-point number 18 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 85) Finished k-point number 86 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 86) Finished k-point number 87 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 77) Finished k-point number 78 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 96) Finished k-point number 97 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1593025476148 Density= 15.9990363026238 16.0000000000000 EF 13.4314163797284 Density= 16.5087400249334 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98719098 0.96719098 0.508740 -0.963697E-03 1 0.97719098 0.96719100 0.263490 -0.963697E-03 2 0.97219099 0.96719075 0.134556 -0.963697E-03 3 0.96969087 0.96719088 0.677429E-01 -0.963697E-03 4 0.96844088 0.96719082 0.336452E-01 -0.963697E-03 5 0.96781585 0.96719109 0.164054E-01 -0.963697E-03 6 0.96750347 0.96719119 0.773935E-02 -0.963698E-03 7 0.96734733 0.96719114 0.339501E-02 -0.963698E-03 8 0.96726923 0.96719093 0.121889E-02 -0.963697E-03 9 0.96723008 0.96719103 0.127053E-03 -0.963698E-03 10 0.96722553 0.96719103 0.239077E-06 -0.963698E-03 11 0.96722552 0.96719103 0.385612E-10 -0.963698E-03 Absolute convergence of |F(X)|. Difference in EF= 0.0004699467 EF set to : 13.1597724944 new EF (no-mixing): 13.1597724944 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001217 tlogG= -0.001261 logG= -0.002478 Density= 0.018871 ETOT(band)= 0.000985 trlgG= -0.001773 logG= -0.002478 TDE= -0.017548 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002427 tlogG= -0.002427 logG= -0.004854 logGD-logG0= -0.009715 tlogG= -0.009622 logG= -0.019337 Density= 0.037691 ETOT(band)= 0.002064 trlgG= -0.003359 logG= -0.004854 TDE= -0.034961 Density= 0.150867 ETOT(band)= 0.008139 trlgG= -0.013460 logG= -0.019337 TDE= -0.140045 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004853 tlogG= -0.004666 logG= -0.009519 Density= 0.075409 ETOT(band)= 0.004152 trlgG= -0.006502 logG= -0.009519 TDE= -0.069920 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002432 tlogG= -0.002105 logG= -0.004537 Density= 0.037224 ETOT(band)= 0.002082 trlgG= -0.003080 logG= -0.004537 TDE= -0.034546 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001585 tlogG= -0.001315 logG= -0.002899 Density= 0.022669 ETOT(band)= -0.000468 trlgG= -0.003699 logG= -0.002899 TDE= -0.022725 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009742 tlogG= -0.008767 logG= -0.018509 Density= 0.149886 ETOT(band)= 0.008557 trlgG= -0.012371 logG= -0.018509 TDE= -0.138837 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009738 tlogG= -0.006796 logG= -0.016534 Density= 0.145257 ETOT(band)= 0.005229 trlgG= -0.013689 logG= -0.016534 TDE= -0.137651 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009737 tlogG= -0.008163 logG= -0.017900 Density= 0.149732 ETOT(band)= 0.008524 trlgG= -0.011788 logG= -0.017900 TDE= -0.138713 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004872 tlogG= -0.004244 logG= -0.009116 Density= 0.075044 ETOT(band)= 0.004162 trlgG= -0.006161 logG= -0.009116 TDE= -0.069629 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009750 tlogG= -0.008899 logG= -0.018649 Density= 0.150362 ETOT(band)= 0.008573 trlgG= -0.012442 logG= -0.018649 TDE= -0.139227 logGD-logG0= -0.009711 tlogG= -0.007906 logG= -0.017617 Density= 0.149205 ETOT(band)= 0.009048 trlgG= -0.010972 logG= -0.017617 TDE= -0.137671 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019473 tlogG= -0.016104 logG= -0.035577 Density= 0.299612 ETOT(band)= 0.016967 trlgG= -0.023436 logG= -0.035577 TDE= -0.277651 logGD-logG0= -0.019439 tlogG= -0.014990 logG= -0.034430 Density= 0.298155 ETOT(band)= 0.017591 trlgG= -0.021547 logG= -0.034430 TDE= -0.275500 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009739 tlogG= -0.006751 logG= -0.016490 Density= 0.147308 ETOT(band)= 0.007353 trlgG= -0.011535 logG= -0.016490 TDE= -0.137525 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003119 tlogG= -0.002607 logG= -0.005726 Density= 0.045701 ETOT(band)= 0.000011 trlgG= -0.006272 logG= -0.005726 TDE= -0.044749 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003147 tlogG= -0.002553 logG= -0.005700 Density= 0.045406 ETOT(band)= -0.000518 trlgG= -0.006852 logG= -0.005700 TDE= -0.045070 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003165 tlogG= -0.002525 logG= -0.005690 Density= 0.045155 ETOT(band)= -0.000943 trlgG= -0.007340 logG= -0.005690 TDE= -0.045324 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009495 tlogG= -0.007369 logG= -0.016865 Density= 0.136001 ETOT(band)= -0.002396 trlgG= -0.021407 logG= -0.016865 TDE= -0.136086 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009503 tlogG= -0.007453 logG= -0.016955 Density= 0.136140 ETOT(band)= -0.002442 trlgG= -0.021525 logG= -0.016955 TDE= -0.136249 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009511 tlogG= -0.006673 logG= -0.016184 Density= 0.137477 ETOT(band)= -0.000844 trlgG= -0.019235 logG= -0.016184 TDE= -0.136023 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009482 tlogG= -0.007301 logG= -0.016782 Density= 0.136057 ETOT(band)= -0.001996 trlgG= -0.020898 logG= -0.016782 TDE= -0.135714 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009800 tlogG= -0.007253 logG= -0.017053 Density= 0.147430 ETOT(band)= 0.007829 trlgG= -0.011637 logG= -0.017053 TDE= -0.137182 logGD-logG0= -0.009425 tlogG= -0.007371 logG= -0.016796 Density= 0.136775 ETOT(band)= -0.000649 trlgG= -0.019327 logG= -0.016796 TDE= -0.134823 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009811 tlogG= -0.006548 logG= -0.016359 Density= 0.143434 ETOT(band)= 0.004069 trlgG= -0.014535 logG= -0.016359 TDE= -0.136909 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009461 tlogG= -0.007331 logG= -0.016792 Density= 0.136297 ETOT(band)= -0.001581 trlgG= -0.020411 logG= -0.016792 TDE= -0.135449 logGD-logG0= -0.009745 tlogG= -0.007669 logG= -0.017413 Density= 0.148490 ETOT(band)= 0.009155 trlgG= -0.010669 logG= -0.017413 TDE= -0.136878 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009483 tlogG= -0.006542 logG= -0.016025 Density= 0.137197 ETOT(band)= -0.000629 trlgG= -0.018819 logG= -0.016025 TDE= -0.135494 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009500 tlogG= -0.006856 logG= -0.016357 Density= 0.138072 ETOT(band)= 0.000114 trlgG= -0.018240 logG= -0.016357 TDE= -0.135430 logGD-logG0= -0.009610 tlogG= -0.006396 logG= -0.016006 Density= 0.140429 ETOT(band)= 0.002338 trlgG= -0.015917 logG= -0.016006 TDE= -0.135737 logGD-logG0= -0.004805 tlogG= -0.003095 logG= -0.007899 Density= 0.067304 ETOT(band)= -0.002089 trlgG= -0.011039 logG= -0.007899 TDE= -0.068238 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009518 tlogG= -0.006643 logG= -0.016161 Density= 0.137433 ETOT(band)= -0.000809 trlgG= -0.019210 logG= -0.016161 TDE= -0.135977 logGD-logG0= -0.009567 tlogG= -0.005960 logG= -0.015527 logGD-logG0= -0.009545 tlogG= -0.005639 logG= -0.015184 Density= 0.136797 ETOT(band)= -0.000873 trlgG= -0.018280 logG= -0.015184 TDE= -0.135410 Density= 0.137947 ETOT(band)= -0.000270 trlgG= -0.017987 logG= -0.015527 TDE= -0.135885 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009593 tlogG= -0.005623 logG= -0.015216 Density= 0.133385 ETOT(band)= -0.004597 trlgG= -0.021817 logG= -0.015216 TDE= -0.135614 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009612 tlogG= -0.006021 logG= -0.015633 Density= 0.135524 ETOT(band)= -0.002941 trlgG= -0.020671 logG= -0.015633 TDE= -0.136120 logGD-logG0= -0.004806 tlogG= -0.002575 logG= -0.007382 Density= 0.065563 ETOT(band)= -0.003059 trlgG= -0.011419 logG= -0.007382 TDE= -0.067452 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009698 tlogG= -0.006637 logG= -0.016335 Density= 0.143934 ETOT(band)= 0.006040 trlgG= -0.012515 logG= -0.016335 TDE= -0.135397 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019110 tlogG= -0.012022 logG= -0.031132 Density= 0.277669 ETOT(band)= 0.001463 trlgG= -0.034134 logG= -0.031132 TDE= -0.271570 logGD-logG0= -0.009503 tlogG= -0.006871 logG= -0.016374 Density= 0.137024 ETOT(band)= -0.001363 trlgG= -0.019965 logG= -0.016374 TDE= -0.136125 logGD-logG0= -0.009581 tlogG= -0.006164 logG= -0.015745 Density= 0.138562 ETOT(band)= 0.000307 trlgG= -0.017579 logG= -0.015745 TDE= -0.135855 logGD-logG0= -0.009449 tlogG= -0.006847 logG= -0.016296 Density= 0.138714 ETOT(band)= 0.001471 trlgG= -0.016965 logG= -0.016296 TDE= -0.134838 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018995 tlogG= -0.013737 logG= -0.032732 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.274206 ETOT(band)= -0.002114 trlgG= -0.039179 logG= -0.032732 TDE= -0.271665 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009813 tlogG= -0.006620 logG= -0.016433 Density= 0.144613 ETOT(band)= 0.004721 trlgG= -0.014073 logG= -0.016433 TDE= -0.137514 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019652 tlogG= -0.012880 logG= -0.032531 Density= 0.287672 ETOT(band)= 0.008437 trlgG= -0.028708 logG= -0.032531 TDE= -0.274421 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019204 tlogG= -0.010876 logG= -0.030080 logGD-logG0= -0.019129 tlogG= -0.012171 logG= -0.031300 Density= 0.278038 ETOT(band)= 0.001530 trlgG= -0.034262 logG= -0.031300 TDE= -0.271887 Density= 0.271867 ETOT(band)= -0.003944 trlgG= -0.038420 logG= -0.030080 TDE= -0.271296 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004894 tlogG= -0.003628 logG= -0.008522 logGD-logG0= -0.019622 tlogG= -0.012977 logG= -0.032599 Density= 0.290562 ETOT(band)= 0.013544 trlgG= -0.023565 logG= -0.032599 TDE= -0.272006 Density= 0.074579 ETOT(band)= 0.004266 trlgG= -0.005441 logG= -0.008522 TDE= -0.069055 logGD-logG0= -0.019389 tlogG= -0.012143 logG= -0.031532 Density= 0.282468 ETOT(band)= 0.005542 trlgG= -0.030531 logG= -0.031532 TDE= -0.272211 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000389 tlogG= 0.008701 logG= 0.008312 Density= 0.005692 ETOT(band)= -0.000011 trlgG= 0.008224 logG= 0.008312 TDE= -0.005593 logGD-logG0= -0.019025 tlogG= -0.012428 logG= -0.031453 Density= 0.278688 ETOT(band)= 0.003895 trlgG= -0.032176 logG= -0.031453 TDE= -0.270277 logGD-logG0= -0.019231 tlogG= -0.011498 logG= -0.030729 Density= 0.275683 ETOT(band)= -0.000835 trlgG= -0.035871 logG= -0.030729 TDE= -0.271790 logGD-logG0= -0.019258 tlogG= -0.010209 logG= -0.029467 Density= 0.266159 ETOT(band)= -0.008558 trlgG= -0.042254 logG= -0.029467 TDE= -0.270222 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019317 tlogG= -0.010562 logG= -0.029879 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.279921 ETOT(band)= 0.004125 trlgG= -0.030156 logG= -0.029879 TDE= -0.271024 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019098 tlogG= -0.012324 logG= -0.031422 Density= 0.277732 ETOT(band)= 0.001803 trlgG= -0.033949 logG= -0.031422 TDE= -0.271157 logGD-logG0= -0.019018 tlogG= -0.011705 logG= -0.030723 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.276153 ETOT(band)= 0.001267 trlgG= -0.033783 logG= -0.030723 TDE= -0.270163 logGD-logG0= -0.009614 tlogG= -0.005447 logG= -0.015061 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.132870 ETOT(band)= -0.005064 trlgG= -0.022080 logG= -0.015061 TDE= -0.135534 logGD-logG0= -0.019252 tlogG= -0.011680 logG= -0.030932 Density= 0.269263 ETOT(band)= -0.007681 trlgG= -0.042820 logG= -0.030932 TDE= -0.272327 logGD-logG0= -0.018923 tlogG= -0.013781 logG= -0.032704 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.274858 ETOT(band)= -0.000310 trlgG= -0.036980 logG= -0.032704 TDE= -0.270126 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009711 tlogG= -0.004833 logG= -0.014544 Density= 0.132443 ETOT(band)= -0.004936 trlgG= -0.021796 logG= -0.014544 TDE= -0.135354 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019509 tlogG= -0.011957 logG= -0.031466 Density= 0.281718 ETOT(band)= 0.003518 trlgG= -0.032424 logG= -0.031466 TDE= -0.273443 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019283 tlogG= -0.010630 logG= -0.029914 Density= 0.273063 ETOT(band)= -0.003374 trlgG= -0.037533 logG= -0.029914 TDE= -0.271733 logGD-logG0= -0.009692 tlogG= -0.005249 logG= -0.014941 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.140748 ETOT(band)= 0.002566 trlgG= -0.014615 logG= -0.014941 TDE= -0.135809 logGD-logG0= -0.019424 tlogG= -0.011204 logG= -0.030627 Density= 0.279824 ETOT(band)= 0.003016 trlgG= -0.032168 logG= -0.030627 TDE= -0.272193 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019231 tlogG= -0.010631 logG= -0.029862 Density= 0.277145 ETOT(band)= 0.002314 trlgG= -0.032382 logG= -0.029862 TDE= -0.270582 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009817 tlogG= -0.006090 logG= -0.015907 logGD-logG0= -0.019306 tlogG= -0.010109 logG= -0.029415 Density= 0.269035 ETOT(band)= -0.006581 trlgG= -0.040212 logG= -0.029415 TDE= -0.271015 Density= 0.144816 ETOT(band)= 0.006082 trlgG= -0.012103 logG= -0.015907 TDE= -0.136265 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009633 tlogG= -0.005289 logG= -0.014922 Density= 0.136984 ETOT(band)= -0.001171 trlgG= -0.018278 logG= -0.014922 TDE= -0.135850 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004817 tlogG= -0.002669 logG= -0.007486 Density= 0.068522 ETOT(band)= -0.000613 trlgG= -0.009171 logG= -0.007486 TDE= -0.067961 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009609 tlogG= -0.005149 logG= -0.014758 Density= 0.136236 ETOT(band)= -0.001785 trlgG= -0.018581 logG= -0.014758 TDE= -0.135595 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009624 tlogG= -0.005496 logG= -0.015120 Density= 0.135615 ETOT(band)= -0.002689 trlgG= -0.019800 logG= -0.015120 TDE= -0.135850 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002446 tlogG= -0.001897 logG= -0.004343 Density= 0.036962 ETOT(band)= 0.002323 trlgG= -0.002593 logG= -0.004343 TDE= -0.034000 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009423 tlogG= -0.007771 logG= -0.017194 Density= 0.138135 ETOT(band)= 0.001254 trlgG= -0.017784 logG= -0.017194 TDE= -0.134197 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009470 tlogG= -0.007413 logG= -0.016883 Density= 0.137025 ETOT(band)= -0.000096 trlgG= -0.018816 logG= -0.016883 TDE= -0.134468 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009745 tlogG= -0.007252 logG= -0.016997 Density= 0.145218 ETOT(band)= 0.007559 trlgG= -0.011587 logG= -0.016997 TDE= -0.135048 logGD-logG0= -0.002396 tlogG= -0.001985 logG= -0.004381 Density= 0.035852 ETOT(band)= 0.001518 trlgG= -0.003389 logG= -0.004381 TDE= -0.033685 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009405 tlogG= -0.008003 logG= -0.017408 Density= 0.138421 ETOT(band)= 0.001651 trlgG= -0.017607 logG= -0.017408 TDE= -0.134083 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009490 tlogG= -0.007375 logG= -0.016866 Density= 0.140959 ETOT(band)= 0.004012 trlgG= -0.015023 logG= -0.016866 TDE= -0.134496 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009439 tlogG= -0.008476 logG= -0.017915 Density= 0.140740 ETOT(band)= 0.003728 trlgG= -0.016221 logG= -0.017915 TDE= -0.134433 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009471 tlogG= -0.006919 logG= -0.016390 Density= 0.139041 ETOT(band)= 0.002420 trlgG= -0.016099 logG= -0.016390 TDE= -0.134194 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009623 tlogG= -0.005347 logG= -0.014971 Density= 0.134447 ETOT(band)= -0.002381 trlgG= -0.019531 logG= -0.014971 TDE= -0.134601 logGD-logG0= -0.009523 tlogG= -0.006371 logG= -0.015894 Density= 0.136931 ETOT(band)= 0.000012 trlgG= -0.017999 logG= -0.015894 TDE= -0.134548 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004790 tlogG= -0.002841 logG= -0.007631 Density= 0.068538 ETOT(band)= 0.000332 trlgG= -0.008475 logG= -0.007631 TDE= -0.067135 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018851 tlogG= -0.015839 logG= -0.034690 Density= 0.279948 ETOT(band)= 0.006241 trlgG= -0.032493 logG= -0.034690 TDE= -0.268576 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019209 tlogG= -0.013346 logG= -0.032555 Density= 0.285220 ETOT(band)= 0.010837 trlgG= -0.026349 logG= -0.032555 TDE= -0.269666 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009698 tlogG= -0.004969 logG= -0.014667 Density= 0.132076 ETOT(band)= -0.004585 trlgG= -0.021586 logG= -0.014667 TDE= -0.134666 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009371 tlogG= -0.009076 logG= -0.018447 Density= 0.139283 ETOT(band)= 0.002343 trlgG= -0.017993 logG= -0.018447 TDE= -0.134264 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009827 tlogG= -0.006841 logG= -0.016668 Density= 0.146043 ETOT(band)= 0.007987 trlgG= -0.010978 logG= -0.016668 TDE= -0.135567 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002345 tlogG= -0.002352 logG= -0.004697 Density= 0.034795 ETOT(band)= 0.000555 trlgG= -0.004623 logG= -0.004697 TDE= -0.033581 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009708 tlogG= -0.005752 logG= -0.015459 logGD-logG0= -0.018956 tlogG= -0.014024 logG= -0.032980 Density= 0.142298 ETOT(band)= 0.005045 trlgG= -0.012905 logG= -0.015459 TDE= -0.135079 Density= 0.276810 ETOT(band)= 0.003114 trlgG= -0.034043 logG= -0.032980 TDE= -0.268801 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009541 tlogG= -0.007586 logG= -0.017127 Density= 0.142613 ETOT(band)= 0.005479 trlgG= -0.013802 logG= -0.017127 TDE= -0.134614 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019110 tlogG= -0.011762 logG= -0.030871 Density= 0.276810 ETOT(band)= 0.003387 trlgG= -0.032212 logG= -0.030871 TDE= -0.269079 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009510 tlogG= -0.006715 logG= -0.016225 Density= 0.140758 ETOT(band)= 0.004060 trlgG= -0.014445 logG= -0.016225 TDE= -0.134365 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004702 tlogG= -0.004039 logG= -0.008741 Density= 0.069792 ETOT(band)= 0.001400 trlgG= -0.008325 logG= -0.008741 TDE= -0.067088 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002337 tlogG= 0.052318 logG= 0.049980 Density= 0.034316 ETOT(band)= 0.000088 trlgG= 0.049616 logG= 0.049980 TDE= -0.033556 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003116 tlogG= 0.069732 logG= 0.066616 Density= 0.045665 ETOT(band)= 0.000044 trlgG= 0.066047 logG= 0.066616 TDE= -0.044738 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003142 tlogG= 0.070409 logG= 0.067267 Density= 0.046127 ETOT(band)= 0.000504 trlgG= 0.067189 logG= 0.067267 TDE= -0.044693 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009421 tlogG= 0.211103 logG= 0.201682 Density= 0.139057 ETOT(band)= 0.002152 trlgG= 0.201974 logG= 0.201682 TDE= -0.134207 logGD-logG0= -0.009366 tlogG= 0.210047 logG= 0.200681 Density= 0.138122 ETOT(band)= 0.001229 trlgG= 0.200079 logG= 0.200681 TDE= -0.134197 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004675 tlogG= 0.104844 logG= 0.100169 Density= 0.068896 ETOT(band)= 0.000427 trlgG= 0.099707 logG= 0.100169 TDE= -0.067100 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003124 tlogG= 0.070012 logG= 0.066888 Density= 0.046045 ETOT(band)= 0.000393 trlgG= 0.066700 logG= 0.066888 TDE= -0.044723 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009400 tlogG= 0.210746 logG= 0.201345 Density= 0.138675 ETOT(band)= 0.001804 trlgG= 0.201319 logG= 0.201345 TDE= -0.134156 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.71510679397728 eV TrLogG= -11.6711023014370 eV Ratio to renormalize= 0.999999999731 rho-rho_expected= 0.000000004296 nargs= 1 argi=dmft2.def 10) Finished k-point number 11 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 23) Finished k-point number 24 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 59) Finished k-point number 60 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 61) Finished k-point number 62 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 74) Finished k-point number 75 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 78) Finished k-point number 79 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 85) Finished k-point number 86 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 99) Finished k-point number 100 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933218226841519 0.929997642999404 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 41) Finished k-point number 42 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 40) Finished k-point number 41 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1597724943558 Density= 15.9967700815460 16.0000000000000 EF 13.4318863264694 Density= 16.5070979128593 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98722552 0.96722552 0.507098 -0.322992E-02 1 0.97722552 0.96722554 0.261626 -0.322992E-02 2 0.97222553 0.96722530 0.132517 -0.322992E-02 3 0.96972541 0.96722542 0.655979E-01 -0.322992E-02 4 0.96847542 0.96722536 0.314416E-01 -0.322992E-02 5 0.96785039 0.96722515 0.141710E-01 -0.322992E-02 6 0.96753777 0.96722525 0.548251E-02 -0.322992E-02 7 0.96738151 0.96722544 0.112685E-02 -0.322992E-02 8 0.96734114 0.96722544 0.117883E-06 -0.322992E-02 9 0.96734114 0.96734114 -0.222027E-10 0.117883E-06 Absolute convergence of |F(X)|. Difference in EF= 0.0015729763 EF set to : 13.1613454707 new EF (no-mixing): 13.1613454707 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001217 tlogG= -0.001261 logG= -0.002478 Density= 0.018870 ETOT(band)= 0.000986 trlgG= -0.001773 logG= -0.002478 TDE= -0.017549 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009715 tlogG= -0.009623 logG= -0.019338 Density= 0.150855 ETOT(band)= 0.008143 trlgG= -0.013460 logG= -0.019338 TDE= -0.140050 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002427 tlogG= -0.002427 logG= -0.004854 Density= 0.037688 ETOT(band)= 0.002065 trlgG= -0.003359 logG= -0.004854 TDE= -0.034962 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004854 tlogG= -0.004666 logG= -0.009520 Density= 0.075404 ETOT(band)= 0.004154 trlgG= -0.006501 logG= -0.009520 TDE= -0.069923 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002432 tlogG= -0.002106 logG= -0.004537 Density= 0.037220 ETOT(band)= 0.002082 trlgG= -0.003081 logG= -0.004537 TDE= -0.034548 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009738 tlogG= -0.008163 logG= -0.017901 Density= 0.149718 ETOT(band)= 0.008526 trlgG= -0.011789 logG= -0.017901 TDE= -0.138717 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004872 tlogG= -0.004244 logG= -0.009116 Density= 0.075037 ETOT(band)= 0.004163 trlgG= -0.006161 logG= -0.009116 TDE= -0.069632 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009742 tlogG= -0.008768 logG= -0.018510 Density= 0.149873 ETOT(band)= 0.008558 trlgG= -0.012373 logG= -0.018510 TDE= -0.138841 logGD-logG0= -0.009738 tlogG= -0.006796 logG= -0.016534 Density= 0.145263 ETOT(band)= 0.005249 trlgG= -0.013670 logG= -0.016534 TDE= -0.137655 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009751 tlogG= -0.008899 logG= -0.018650 Density= 0.150350 ETOT(band)= 0.008576 trlgG= -0.012442 logG= -0.018650 TDE= -0.139232 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001585 tlogG= -0.001314 logG= -0.002899 Density= 0.022667 ETOT(band)= -0.000467 trlgG= -0.003698 logG= -0.002899 TDE= -0.022726 logGD-logG0= -0.019474 tlogG= -0.016105 logG= -0.035579 Density= 0.299587 ETOT(band)= 0.016973 trlgG= -0.023437 logG= -0.035579 TDE= -0.277660 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019440 tlogG= -0.014992 logG= -0.034432 Density= 0.298133 ETOT(band)= 0.017598 trlgG= -0.021545 logG= -0.034432 TDE= -0.275509 logGD-logG0= -0.009711 tlogG= -0.007907 logG= -0.017618 Density= 0.149192 ETOT(band)= 0.009050 trlgG= -0.010973 logG= -0.017618 TDE= -0.137675 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009739 tlogG= -0.006751 logG= -0.016490 Density= 0.147299 ETOT(band)= 0.007359 trlgG= -0.011532 logG= -0.016490 TDE= -0.137530 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003147 tlogG= -0.002553 logG= -0.005700 Density= 0.045404 ETOT(band)= -0.000514 trlgG= -0.006849 logG= -0.005700 TDE= -0.045071 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003165 tlogG= -0.002525 logG= -0.005690 Density= 0.045152 ETOT(band)= -0.000940 trlgG= -0.007337 logG= -0.005690 TDE= -0.045325 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009496 tlogG= -0.007367 logG= -0.016863 Density= 0.135994 ETOT(band)= -0.002387 trlgG= -0.021400 logG= -0.016863 TDE= -0.136089 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009502 tlogG= -0.007452 logG= -0.016954 Density= 0.136135 ETOT(band)= -0.002433 trlgG= -0.021516 logG= -0.016954 TDE= -0.136251 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003119 tlogG= -0.002607 logG= -0.005726 Density= 0.045700 ETOT(band)= 0.000015 trlgG= -0.006268 logG= -0.005726 TDE= -0.044749 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009511 tlogG= -0.006672 logG= -0.016184 Density= 0.137476 ETOT(band)= -0.000831 trlgG= -0.019224 logG= -0.016184 TDE= -0.136026 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009482 tlogG= -0.007298 logG= -0.016780 Density= 0.136050 ETOT(band)= -0.001987 trlgG= -0.020889 logG= -0.016780 TDE= -0.135716 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009425 tlogG= -0.007370 logG= -0.016795 Density= 0.136770 ETOT(band)= -0.000639 trlgG= -0.019316 logG= -0.016795 TDE= -0.134825 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009800 tlogG= -0.007252 logG= -0.017053 Density= 0.147419 ETOT(band)= 0.007834 trlgG= -0.011634 logG= -0.017053 TDE= -0.137186 logGD-logG0= -0.009745 tlogG= -0.007669 logG= -0.017414 Density= 0.148478 ETOT(band)= 0.009159 trlgG= -0.010667 logG= -0.017414 TDE= -0.136883 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009811 tlogG= -0.006548 logG= -0.016359 Density= 0.143443 ETOT(band)= 0.004093 trlgG= -0.014514 logG= -0.016359 TDE= -0.136913 logGD-logG0= -0.009608 tlogG= -0.006396 logG= -0.016004 Density= 0.140430 ETOT(band)= 0.002353 trlgG= -0.015901 logG= -0.016004 TDE= -0.135741 logGD-logG0= -0.009482 tlogG= -0.006542 logG= -0.016025 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137193 ETOT(band)= -0.000618 trlgG= -0.018809 logG= -0.016025 TDE= -0.135497 logGD-logG0= -0.009461 tlogG= -0.007331 logG= -0.016792 Density= 0.136292 ETOT(band)= -0.001571 trlgG= -0.020402 logG= -0.016792 TDE= -0.135451 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009567 tlogG= -0.005959 logG= -0.015527 Density= 0.137948 ETOT(band)= -0.000254 trlgG= -0.017973 logG= -0.015527 TDE= -0.135888 logGD-logG0= -0.009501 tlogG= -0.006858 logG= -0.016359 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138070 ETOT(band)= 0.000127 trlgG= -0.018231 logG= -0.016359 TDE= -0.135432 logGD-logG0= -0.009449 tlogG= -0.006847 logG= -0.016296 Density= 0.138713 ETOT(band)= 0.001485 trlgG= -0.016953 logG= -0.016296 TDE= -0.134840 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009698 tlogG= -0.006637 logG= -0.016334 logGD-logG0= -0.009593 tlogG= -0.005622 logG= -0.015215 Density= 0.143934 ETOT(band)= 0.006054 trlgG= -0.012501 logG= -0.016334 TDE= -0.135401 Density= 0.133377 ETOT(band)= -0.004589 trlgG= -0.021810 logG= -0.015215 TDE= -0.135616 logGD-logG0= -0.009519 tlogG= -0.006642 logG= -0.016161 Density= 0.137430 ETOT(band)= -0.000797 trlgG= -0.019199 logG= -0.016161 TDE= -0.135980 logGD-logG0= -0.004806 tlogG= -0.002576 logG= -0.007382 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.065563 ETOT(band)= -0.003052 trlgG= -0.011413 logG= -0.007382 TDE= -0.067453 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004804 tlogG= -0.003094 logG= -0.007898 logGD-logG0= -0.009504 tlogG= -0.006867 logG= -0.016370 Density= 0.137021 ETOT(band)= -0.001350 trlgG= -0.019952 logG= -0.016370 TDE= -0.136127 Density= 0.067301 ETOT(band)= -0.002085 trlgG= -0.011035 logG= -0.007898 TDE= -0.068240 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009545 tlogG= -0.005640 logG= -0.015185 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136800 ETOT(band)= -0.000855 trlgG= -0.018265 logG= -0.015185 TDE= -0.135413 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009582 tlogG= -0.006163 logG= -0.015745 Density= 0.138564 ETOT(band)= 0.000324 trlgG= -0.017564 logG= -0.015745 TDE= -0.135858 logGD-logG0= -0.009613 tlogG= -0.006021 logG= -0.015634 Density= 0.135523 ETOT(band)= -0.002927 trlgG= -0.020660 logG= -0.015634 TDE= -0.136123 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009813 tlogG= -0.006620 logG= -0.016433 Density= 0.144619 ETOT(band)= 0.004741 trlgG= -0.014055 logG= -0.016433 TDE= -0.137518 logGD-logG0= -0.019111 tlogG= -0.012022 logG= -0.031134 Density= 0.277672 ETOT(band)= 0.001495 trlgG= -0.034107 logG= -0.031134 TDE= -0.271577 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019130 tlogG= -0.012170 logG= -0.031300 Density= 0.278040 ETOT(band)= 0.001562 trlgG= -0.034233 logG= -0.031300 TDE= -0.271894 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019202 tlogG= -0.010874 logG= -0.030077 Density= 0.271871 ETOT(band)= -0.003912 trlgG= -0.038387 logG= -0.030077 TDE= -0.271302 logGD-logG0= -0.018995 tlogG= -0.013734 logG= -0.032730 Density= 0.274199 ETOT(band)= -0.002090 trlgG= -0.039157 logG= -0.032730 TDE= -0.271671 logGD-logG0= -0.019231 tlogG= -0.011498 logG= -0.030730 logGD-logG0= -0.019256 tlogG= -0.010205 logG= -0.029460 Density= 0.266155 ETOT(band)= -0.008534 trlgG= -0.042224 logG= -0.029460 TDE= -0.270227 Density= 0.275694 ETOT(band)= -0.000796 trlgG= -0.035835 logG= -0.030730 TDE= -0.271796 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019653 tlogG= -0.012881 logG= -0.032534 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.287703 ETOT(band)= 0.008496 trlgG= -0.028655 logG= -0.032534 TDE= -0.274428 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019022 tlogG= -0.011707 logG= -0.030729 Density= 0.276162 ETOT(band)= 0.001307 trlgG= -0.033754 logG= -0.030729 TDE= -0.270168 logGD-logG0= -0.009712 tlogG= -0.004833 logG= -0.014546 Density= 0.132468 ETOT(band)= -0.004897 trlgG= -0.021761 logG= -0.014546 TDE= -0.135357 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004894 tlogG= -0.003628 logG= -0.008523 Density= 0.074574 ETOT(band)= 0.004268 trlgG= -0.005440 logG= -0.008523 TDE= -0.069057 logGD-logG0= -0.019100 tlogG= -0.012323 logG= -0.031423 Density= 0.277732 ETOT(band)= 0.001833 trlgG= -0.033924 logG= -0.031423 TDE= -0.271162 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019025 tlogG= -0.012429 logG= -0.031454 Density= 0.278692 ETOT(band)= 0.003927 trlgG= -0.032147 logG= -0.031454 TDE= -0.270283 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019389 tlogG= -0.012144 logG= -0.031533 Density= 0.282484 ETOT(band)= 0.005585 trlgG= -0.030492 logG= -0.031533 TDE= -0.272218 logGD-logG0= -0.018925 tlogG= -0.013783 logG= -0.032708 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.274851 ETOT(band)= -0.000285 trlgG= -0.036964 logG= -0.032708 TDE= -0.270131 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019622 tlogG= -0.012978 logG= -0.032600 logGD-logG0= -0.000389 tlogG= 0.008702 logG= 0.008313 Density= 0.005692 ETOT(band)= -0.000011 trlgG= 0.008226 logG= 0.008313 TDE= -0.005593 Density= 0.290558 ETOT(band)= 0.013570 trlgG= -0.023544 logG= -0.032600 TDE= -0.272013 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.009614 tlogG= -0.005448 logG= -0.015062 Density= 0.132870 ETOT(band)= -0.005049 trlgG= -0.022067 logG= -0.015062 TDE= -0.135536 logGD-logG0= -0.019234 tlogG= -0.010633 logG= -0.029866 Density= 0.277177 ETOT(band)= 0.002374 trlgG= -0.032330 logG= -0.029866 TDE= -0.270589 logGD-logG0= -0.019319 tlogG= -0.010552 logG= -0.029871 Density= 0.279945 ETOT(band)= 0.004178 trlgG= -0.030099 logG= -0.029871 TDE= -0.271030 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019286 tlogG= -0.010631 logG= -0.029917 Density= 0.273069 ETOT(band)= -0.003339 trlgG= -0.037504 logG= -0.029917 TDE= -0.271739 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019251 tlogG= -0.011677 logG= -0.030927 logGD-logG0= -0.009692 tlogG= -0.005247 logG= -0.014939 Density= 0.140747 ETOT(band)= 0.002579 trlgG= -0.014601 logG= -0.014939 TDE= -0.135812 Density= 0.269251 ETOT(band)= -0.007665 trlgG= -0.042801 logG= -0.030927 TDE= -0.272332 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019304 tlogG= -0.010105 logG= -0.029410 Density= 0.269055 ETOT(band)= -0.006534 trlgG= -0.040162 logG= -0.029410 TDE= -0.271020 logGD-logG0= -0.009817 tlogG= -0.006091 logG= -0.015908 logGD-logG0= -0.019510 tlogG= -0.011956 logG= -0.031466 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.281738 ETOT(band)= 0.003566 trlgG= -0.032380 logG= -0.031466 TDE= -0.273450 Density= 0.144817 ETOT(band)= 0.006099 trlgG= -0.012089 logG= -0.015908 TDE= -0.136269 logGD-logG0= -0.019424 tlogG= -0.011202 logG= -0.030626 Density= 0.279843 ETOT(band)= 0.003063 trlgG= -0.032123 logG= -0.030626 TDE= -0.272201 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009610 tlogG= -0.005149 logG= -0.014759 Density= 0.136237 ETOT(band)= -0.001769 trlgG= -0.018569 logG= -0.014759 TDE= -0.135597 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009633 tlogG= -0.005288 logG= -0.014921 Density= 0.136987 ETOT(band)= -0.001154 trlgG= -0.018262 logG= -0.014921 TDE= -0.135853 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009623 tlogG= -0.005494 logG= -0.015118 Density= 0.135616 ETOT(band)= -0.002674 trlgG= -0.019784 logG= -0.015118 TDE= -0.135853 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004817 tlogG= -0.002668 logG= -0.007485 Density= 0.068521 ETOT(band)= -0.000606 trlgG= -0.009165 logG= -0.007485 TDE= -0.067963 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002446 tlogG= -0.001897 logG= -0.004344 Density= 0.036961 ETOT(band)= 0.002325 trlgG= -0.002591 logG= -0.004344 TDE= -0.034001 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002396 tlogG= -0.001985 logG= -0.004381 Density= 0.035853 ETOT(band)= 0.001522 trlgG= -0.003385 logG= -0.004381 TDE= -0.033685 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002345 tlogG= -0.002352 logG= -0.004697 Density= 0.034795 ETOT(band)= 0.000558 trlgG= -0.004620 logG= -0.004697 TDE= -0.033582 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009470 tlogG= -0.007413 logG= -0.016883 Density= 0.137020 ETOT(band)= -0.000085 trlgG= -0.018808 logG= -0.016883 TDE= -0.134470 logGD-logG0= -0.009423 tlogG= -0.007770 logG= -0.017193 Density= 0.138132 ETOT(band)= 0.001267 trlgG= -0.017772 logG= -0.017193 TDE= -0.134199 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009406 tlogG= -0.008003 logG= -0.017409 Density= 0.138418 ETOT(band)= 0.001664 trlgG= -0.017596 logG= -0.017409 TDE= -0.134085 logGD-logG0= -0.009491 tlogG= -0.007375 logG= -0.016866 Density= 0.140961 ETOT(band)= 0.004029 trlgG= -0.015007 logG= -0.016866 TDE= -0.134499 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009745 tlogG= -0.007253 logG= -0.016998 Density= 0.145219 ETOT(band)= 0.007576 trlgG= -0.011573 logG= -0.016998 TDE= -0.135051 logGD-logG0= -0.009439 tlogG= -0.008476 logG= -0.017914 Density= 0.140741 ETOT(band)= 0.003743 trlgG= -0.016205 logG= -0.017914 TDE= -0.134436 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009524 tlogG= -0.006371 logG= -0.015895 Density= 0.136927 ETOT(band)= 0.000023 trlgG= -0.017990 logG= -0.015895 TDE= -0.134550 logGD-logG0= -0.018851 tlogG= -0.015838 logG= -0.034689 Density= 0.279948 ETOT(band)= 0.006271 trlgG= -0.032464 logG= -0.034689 TDE= -0.268581 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009471 tlogG= -0.006919 logG= -0.016390 Density= 0.139039 ETOT(band)= 0.002433 trlgG= -0.016087 logG= -0.016390 TDE= -0.134196 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004702 tlogG= -0.004039 logG= -0.008741 Density= 0.069792 ETOT(band)= 0.001408 trlgG= -0.008317 logG= -0.008741 TDE= -0.067089 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009623 tlogG= -0.005345 logG= -0.014968 Density= 0.134449 ETOT(band)= -0.002365 trlgG= -0.019514 logG= -0.014968 TDE= -0.134604 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009371 tlogG= -0.009076 logG= -0.018447 Density= 0.139281 ETOT(band)= 0.002357 trlgG= -0.017980 logG= -0.018447 TDE= -0.134265 logGD-logG0= -0.019209 tlogG= -0.013345 logG= -0.032554 Density= 0.285228 ETOT(band)= 0.010874 trlgG= -0.026315 logG= -0.032554 TDE= -0.269673 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009698 tlogG= -0.004967 logG= -0.014665 Density= 0.132089 ETOT(band)= -0.004558 trlgG= -0.021558 logG= -0.014665 TDE= -0.134669 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004790 tlogG= -0.002842 logG= -0.007633 Density= 0.068538 ETOT(band)= 0.000340 trlgG= -0.008469 logG= -0.007633 TDE= -0.067137 logGD-logG0= -0.009508 tlogG= -0.006713 logG= -0.016222 Density= 0.140761 ETOT(band)= 0.004077 trlgG= -0.014426 logG= -0.016222 TDE= -0.134368 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018956 tlogG= -0.014024 logG= -0.032980 Density= 0.276807 ETOT(band)= 0.003141 trlgG= -0.034019 logG= -0.032980 TDE= -0.268806 logGD-logG0= -0.009541 tlogG= -0.007586 logG= -0.017127 Density= 0.142615 ETOT(band)= 0.005497 trlgG= -0.013786 logG= -0.017127 TDE= -0.134617 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019115 tlogG= -0.011768 logG= -0.030883 Density= 0.276814 ETOT(band)= 0.003422 trlgG= -0.032194 logG= -0.030883 TDE= -0.269084 logGD-logG0= -0.009827 tlogG= -0.006841 logG= -0.016669 Density= 0.146040 ETOT(band)= 0.007999 trlgG= -0.010969 logG= -0.016669 TDE= -0.135571 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009708 tlogG= -0.005752 logG= -0.015460 Density= 0.142306 ETOT(band)= 0.005067 trlgG= -0.012884 logG= -0.015460 TDE= -0.135083 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003124 tlogG= 0.070021 logG= 0.066897 Density= 0.046043 ETOT(band)= 0.000397 trlgG= 0.066713 logG= 0.066897 TDE= -0.044724 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002337 tlogG= 0.052324 logG= 0.049987 Density= 0.034315 ETOT(band)= 0.000091 trlgG= 0.049626 logG= 0.049987 TDE= -0.033556 logGD-logG0= -0.003142 tlogG= 0.070418 logG= 0.067276 Density= 0.046126 ETOT(band)= 0.000509 trlgG= 0.067201 logG= 0.067276 TDE= -0.044694 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003116 tlogG= 0.069741 logG= 0.066625 Density= 0.045663 ETOT(band)= 0.000048 trlgG= 0.066058 logG= 0.066625 TDE= -0.044738 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009421 tlogG= 0.211129 logG= 0.201708 Density= 0.139054 ETOT(band)= 0.002165 trlgG= 0.202012 logG= 0.201708 TDE= -0.134209 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009366 tlogG= 0.210074 logG= 0.200708 Density= 0.138118 ETOT(band)= 0.001241 trlgG= 0.200116 logG= 0.200708 TDE= -0.134199 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004676 tlogG= 0.104857 logG= 0.100182 Density= 0.068894 ETOT(band)= 0.000433 trlgG= 0.099725 logG= 0.100182 TDE= -0.067101 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009400 tlogG= 0.210773 logG= 0.201373 Density= 0.138672 ETOT(band)= 0.001817 trlgG= 0.201358 logG= 0.201373 TDE= -0.134158 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.73800715168157 eV TrLogG= -11.6490201424410 eV Ratio to renormalize= 0.999999999735 rho-rho_expected= 0.000000004236 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 39) Finished k-point number 40 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 42) Finished k-point number 43 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 36) Finished k-point number 37 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 102) Finished k-point number 103 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 99) Finished k-point number 100 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 73) Finished k-point number 74 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 76) Finished k-point number 77 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 60) Finished k-point number 61 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 80) Finished k-point number 81 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 70) Finished k-point number 71 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933184375355424 0.929957566505132 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 17) Finished k-point number 18 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 22) Finished k-point number 23 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 43) Finished k-point number 44 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 87) Finished k-point number 88 1 with #bands= 18 37) Finished k-point number 38 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 36) Finished k-point number 37 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 79) Finished k-point number 80 1 with #bands= 20 41) Finished k-point number 42 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1613454706829 Density= 16.0193302011704 16.0000000000000 EF 12.8892316385693 Density= 15.3907507862916 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96734114 0.94734114 0.193302E-01 -0.609249 1 0.96672609 0.94734114 0.225171E-02 -0.609249 2 0.96664530 0.96672609 -0.241652E-06 0.225171E-02 3 0.96664531 0.96664530 0.107725E-09 -0.241652E-06 4 0.96664531 0.96664531 -0.268087E-08 0.107725E-09 5 0.96664531 0.96664531 -0.268087E-08 0.107725E-09 Absolute convergence of the X interval. Difference in EF= -0.0094672092 EF set to : 13.1518782615 new EF (no-mixing): 13.1518782615 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001230 tlogG= -0.001263 logG= -0.002493 Density= 0.018860 ETOT(band)= 0.000977 trlgG= -0.001802 logG= -0.002493 TDE= -0.017540 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009820 tlogG= -0.009640 logG= -0.019460 Density= 0.150775 ETOT(band)= 0.008072 trlgG= -0.013691 logG= -0.019460 TDE= -0.139977 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002453 tlogG= -0.002431 logG= -0.004885 Density= 0.037668 ETOT(band)= 0.002047 trlgG= -0.003417 logG= -0.004885 TDE= -0.034943 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004906 tlogG= -0.004675 logG= -0.009580 Density= 0.075362 ETOT(band)= 0.004118 trlgG= -0.006617 logG= -0.009580 TDE= -0.069886 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002458 tlogG= -0.002110 logG= -0.004568 Density= 0.037213 ETOT(band)= 0.002078 trlgG= -0.003125 logG= -0.004568 TDE= -0.034529 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009843 tlogG= -0.006814 logG= -0.016657 Density= 0.145369 ETOT(band)= 0.005367 trlgG= -0.013719 logG= -0.016657 TDE= -0.137582 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009843 tlogG= -0.008181 logG= -0.018024 Density= 0.149657 ETOT(band)= 0.008475 trlgG= -0.012002 logG= -0.018024 TDE= -0.138644 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004924 tlogG= -0.004254 logG= -0.009178 logGD-logG0= -0.009847 tlogG= -0.008785 logG= -0.018632 Density= 0.074999 ETOT(band)= 0.004129 trlgG= -0.006276 logG= -0.009178 TDE= -0.069595 Density= 0.149803 ETOT(band)= 0.008498 trlgG= -0.012594 logG= -0.018632 TDE= -0.138768 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001602 tlogG= -0.001319 logG= -0.002921 logGD-logG0= -0.009856 tlogG= -0.008917 logG= -0.018772 Density= 0.150267 ETOT(band)= 0.008504 trlgG= -0.012675 logG= -0.018772 TDE= -0.139158 logGD-logG0= -0.009817 tlogG= -0.007924 logG= -0.017741 Density= 0.149161 ETOT(band)= 0.009029 trlgG= -0.011157 logG= -0.017741 TDE= -0.137601 Density= 0.022664 ETOT(band)= -0.000468 trlgG= -0.003727 logG= -0.002921 TDE= -0.022713 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.019651 tlogG= -0.015027 logG= -0.034678 Density= 0.298091 ETOT(band)= 0.017578 trlgG= -0.021892 logG= -0.034678 TDE= -0.275362 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019684 tlogG= -0.016139 logG= -0.035824 Density= 0.299445 ETOT(band)= 0.016851 trlgG= -0.023880 logG= -0.035824 TDE= -0.277513 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009845 tlogG= -0.006769 logG= -0.016614 Density= 0.147363 ETOT(band)= 0.007435 trlgG= -0.011623 logG= -0.016614 TDE= -0.137456 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003199 tlogG= -0.002534 logG= -0.005733 Density= 0.045139 ETOT(band)= -0.000949 trlgG= -0.007400 logG= -0.005733 TDE= -0.045300 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003153 tlogG= -0.002615 logG= -0.005768 Density= 0.045698 ETOT(band)= 0.000018 trlgG= -0.006319 logG= -0.005768 TDE= -0.044725 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009606 tlogG= -0.007479 logG= -0.017084 Density= 0.136102 ETOT(band)= -0.002451 trlgG= -0.021699 logG= -0.017084 TDE= -0.136177 logGD-logG0= -0.003181 tlogG= -0.002561 logG= -0.005742 Density= 0.045395 ETOT(band)= -0.000518 trlgG= -0.006906 logG= -0.005742 TDE= -0.045046 logGD-logG0= -0.009599 tlogG= -0.007395 logG= -0.016994 Density= 0.135959 ETOT(band)= -0.002408 trlgG= -0.021585 logG= -0.016994 TDE= -0.136015 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009906 tlogG= -0.007271 logG= -0.017178 Density= 0.147526 ETOT(band)= 0.007955 trlgG= -0.011684 logG= -0.017178 TDE= -0.137112 logGD-logG0= -0.009614 tlogG= -0.006697 logG= -0.016312 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137436 ETOT(band)= -0.000855 trlgG= -0.019412 logG= -0.016312 TDE= -0.135952 logGD-logG0= -0.009585 tlogG= -0.007324 logG= -0.016909 Density= 0.136013 ETOT(band)= -0.002009 trlgG= -0.021075 logG= -0.016909 TDE= -0.135642 logGD-logG0= -0.009527 tlogG= -0.007393 logG= -0.016920 Density= 0.136749 ETOT(band)= -0.000644 trlgG= -0.019483 logG= -0.016920 TDE= -0.134751 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009851 tlogG= -0.007687 logG= -0.017538 Density= 0.148521 ETOT(band)= 0.009213 trlgG= -0.010780 logG= -0.017538 TDE= -0.136809 logGD-logG0= -0.009914 tlogG= -0.006569 logG= -0.016483 Density= 0.143517 ETOT(band)= 0.004184 trlgG= -0.014592 logG= -0.016483 TDE= -0.136839 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009711 tlogG= -0.006417 logG= -0.016129 Density= 0.140403 ETOT(band)= 0.002345 trlgG= -0.016063 logG= -0.016129 TDE= -0.135655 logGD-logG0= -0.009585 tlogG= -0.006566 logG= -0.016151 logGD-logG0= -0.009563 tlogG= -0.007356 logG= -0.016919 Density= 0.136261 ETOT(band)= -0.001587 trlgG= -0.020580 logG= -0.016919 TDE= -0.135378 Density= 0.137158 ETOT(band)= -0.000638 trlgG= -0.018992 logG= -0.016151 TDE= -0.135423 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009670 tlogG= -0.005984 logG= -0.015654 logGD-logG0= -0.004856 tlogG= -0.003108 logG= -0.007964 Density= 0.137876 ETOT(band)= -0.000308 trlgG= -0.018191 logG= -0.015654 TDE= -0.135814 Density= 0.067270 ETOT(band)= -0.002108 trlgG= -0.011140 logG= -0.007964 TDE= -0.068203 logGD-logG0= -0.009604 tlogG= -0.006883 logG= -0.016487 Density= 0.138048 ETOT(band)= 0.000122 trlgG= -0.018398 logG= -0.016487 TDE= -0.135355 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009551 tlogG= -0.006870 logG= -0.016421 Density= 0.138697 ETOT(band)= 0.001486 trlgG= -0.017105 logG= -0.016421 TDE= -0.134754 logGD-logG0= -0.009621 tlogG= -0.006665 logG= -0.016287 Density= 0.137386 ETOT(band)= -0.000825 trlgG= -0.019390 logG= -0.016287 TDE= -0.135907 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009697 tlogG= -0.005650 logG= -0.015348 Density= 0.133396 ETOT(band)= -0.004557 trlgG= -0.021944 logG= -0.015348 TDE= -0.135542 logGD-logG0= -0.009717 tlogG= -0.006046 logG= -0.015763 Density= 0.135419 ETOT(band)= -0.003014 trlgG= -0.020910 logG= -0.015763 TDE= -0.136049 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009685 tlogG= -0.006192 logG= -0.015877 Density= 0.138507 ETOT(band)= 0.000285 trlgG= -0.017764 logG= -0.015877 TDE= -0.135775 logGD-logG0= -0.004857 tlogG= -0.002587 logG= -0.007445 Density= 0.065664 ETOT(band)= -0.002943 trlgG= -0.011387 logG= -0.007445 TDE= -0.067416 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009649 tlogG= -0.005663 logG= -0.015312 logGD-logG0= -0.009802 tlogG= -0.006653 logG= -0.016455 Density= 0.144017 ETOT(band)= 0.006154 trlgG= -0.012557 logG= -0.016455 TDE= -0.135315 Density= 0.136757 ETOT(band)= -0.000882 trlgG= -0.018455 logG= -0.015312 TDE= -0.135339 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009606 tlogG= -0.006892 logG= -0.016498 Density= 0.136980 ETOT(band)= -0.001376 trlgG= -0.020140 logG= -0.016498 TDE= -0.136054 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019315 tlogG= -0.012065 logG= -0.031379 Density= 0.277577 ETOT(band)= 0.001434 trlgG= -0.034490 logG= -0.031379 TDE= -0.271429 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019862 tlogG= -0.012920 logG= -0.032782 Density= 0.287893 ETOT(band)= 0.008717 trlgG= -0.028773 logG= -0.032782 TDE= -0.274281 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009919 tlogG= -0.006638 logG= -0.016557 Density= 0.144722 ETOT(band)= 0.004858 trlgG= -0.014106 logG= -0.016557 TDE= -0.137444 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019413 tlogG= -0.010926 logG= -0.030340 Density= 0.271721 ETOT(band)= -0.004026 trlgG= -0.038836 logG= -0.030340 TDE= -0.271154 logGD-logG0= -0.019201 tlogG= -0.013787 logG= -0.032989 Density= 0.274128 ETOT(band)= -0.002131 trlgG= -0.039528 logG= -0.032989 TDE= -0.271524 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019465 tlogG= -0.010255 logG= -0.029720 Density= 0.266478 ETOT(band)= -0.008176 trlgG= -0.042209 logG= -0.029720 TDE= -0.270078 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019442 tlogG= -0.011548 logG= -0.030989 Density= 0.275471 ETOT(band)= -0.000977 trlgG= -0.036344 logG= -0.030989 TDE= -0.271638 logGD-logG0= -0.009818 tlogG= -0.004859 logG= -0.014677 Density= 0.132691 ETOT(band)= -0.004657 trlgG= -0.021683 logG= -0.014677 TDE= -0.135271 logGD-logG0= -0.004948 tlogG= -0.003637 logG= -0.008585 Density= 0.074557 ETOT(band)= 0.004256 trlgG= -0.005535 logG= -0.008585 TDE= -0.069020 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019229 tlogG= -0.011749 logG= -0.030978 Density= 0.276092 ETOT(band)= 0.001271 trlgG= -0.034112 logG= -0.030978 TDE= -0.270017 logGD-logG0= -0.009719 tlogG= -0.005478 logG= -0.015197 Density= 0.132929 ETOT(band)= -0.004977 trlgG= -0.022164 logG= -0.015197 TDE= -0.135462 logGD-logG0= -0.019595 tlogG= -0.012183 logG= -0.031777 Density= 0.282439 ETOT(band)= 0.005578 trlgG= -0.030807 logG= -0.031777 TDE= -0.272047 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019232 tlogG= -0.012474 logG= -0.031706 Density= 0.278622 ETOT(band)= 0.003895 trlgG= -0.032489 logG= -0.031706 TDE= -0.270111 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019129 tlogG= -0.013832 logG= -0.032961 Density= 0.274807 ETOT(band)= -0.000297 trlgG= -0.037301 logG= -0.032961 TDE= -0.269982 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019306 tlogG= -0.012369 logG= -0.031676 Density= 0.277650 ETOT(band)= 0.001786 trlgG= -0.034291 logG= -0.031676 TDE= -0.271004 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000393 tlogG= 0.008694 logG= 0.008301 logGD-logG0= -0.019338 tlogG= -0.012220 logG= -0.031559 Density= 0.277952 ETOT(band)= 0.001509 trlgG= -0.034623 logG= -0.031559 TDE= -0.271746 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.005692 ETOT(band)= -0.000011 trlgG= 0.008213 logG= 0.008301 TDE= -0.005590 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019528 tlogG= -0.010597 logG= -0.030125 Density= 0.279831 ETOT(band)= 0.004102 trlgG= -0.030503 logG= -0.030125 TDE= -0.270875 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019460 tlogG= -0.011732 logG= -0.031192 Density= 0.269129 ETOT(band)= -0.007756 trlgG= -0.043225 logG= -0.031192 TDE= -0.272184 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019632 tlogG= -0.011246 logG= -0.030878 Density= 0.279827 ETOT(band)= 0.003082 trlgG= -0.032414 logG= -0.030878 TDE= -0.272029 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019833 tlogG= -0.013015 logG= -0.032848 Density= 0.290863 ETOT(band)= 0.013906 trlgG= -0.023545 logG= -0.032848 TDE= -0.271859 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009797 tlogG= -0.005270 logG= -0.015067 Density= 0.140716 ETOT(band)= 0.002566 trlgG= -0.014784 logG= -0.015067 TDE= -0.135739 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019517 tlogG= -0.010158 logG= -0.029675 Density= 0.269088 ETOT(band)= -0.006467 trlgG= -0.040433 logG= -0.029675 TDE= -0.270871 logGD-logG0= -0.019441 tlogG= -0.010675 logG= -0.030116 Density= 0.277237 ETOT(band)= 0.002473 trlgG= -0.032543 logG= -0.030116 TDE= -0.270417 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019496 tlogG= -0.010679 logG= -0.030175 Density= 0.272875 ETOT(band)= -0.003495 trlgG= -0.037984 logG= -0.030175 TDE= -0.271582 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019716 tlogG= -0.012001 logG= -0.031717 logGD-logG0= -0.009924 tlogG= -0.006109 logG= -0.016033 Density= 0.281714 ETOT(band)= 0.003578 trlgG= -0.032702 logG= -0.031717 TDE= -0.273303 Density= 0.144976 ETOT(band)= 0.006272 trlgG= -0.012080 logG= -0.016033 TDE= -0.136188 logGD-logG0= -0.009716 tlogG= -0.005174 logG= -0.014890 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136139 ETOT(band)= -0.001849 trlgG= -0.018806 logG= -0.014890 TDE= -0.135514 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009730 tlogG= -0.005522 logG= -0.015252 Density= 0.135522 ETOT(band)= -0.002750 trlgG= -0.020029 logG= -0.015252 TDE= -0.135779 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009739 tlogG= -0.005313 logG= -0.015051 Density= 0.136905 ETOT(band)= -0.001217 trlgG= -0.018480 logG= -0.015051 TDE= -0.135767 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004870 tlogG= -0.002680 logG= -0.007550 Density= 0.068479 ETOT(band)= -0.000639 trlgG= -0.009280 logG= -0.007550 TDE= -0.067925 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002473 tlogG= -0.001902 logG= -0.004374 Density= 0.036999 ETOT(band)= 0.002367 trlgG= -0.002592 logG= -0.004374 TDE= -0.033983 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009526 tlogG= -0.007794 logG= -0.017320 Density= 0.138138 ETOT(band)= 0.001290 trlgG= -0.017903 logG= -0.017320 TDE= -0.134113 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002370 tlogG= -0.002357 logG= -0.004728 Density= 0.034798 ETOT(band)= 0.000566 trlgG= -0.004651 logG= -0.004728 TDE= -0.033560 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009507 tlogG= -0.008026 logG= -0.017533 Density= 0.138429 ETOT(band)= 0.001692 trlgG= -0.017720 logG= -0.017533 TDE= -0.133999 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002422 tlogG= -0.001990 logG= -0.004411 Density= 0.035870 ETOT(band)= 0.001545 trlgG= -0.003402 logG= -0.004411 TDE= -0.033664 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009850 tlogG= -0.007270 logG= -0.017119 Density= 0.145354 ETOT(band)= 0.007729 trlgG= -0.011579 logG= -0.017119 TDE= -0.134965 logGD-logG0= -0.009573 tlogG= -0.007438 logG= -0.017011 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009593 tlogG= -0.007395 logG= -0.016988 Density= 0.140976 ETOT(band)= 0.004064 trlgG= -0.015126 logG= -0.016988 TDE= -0.134413 Density= 0.137008 ETOT(band)= -0.000082 trlgG= -0.018969 logG= -0.017011 TDE= -0.134396 logGD-logG0= -0.009540 tlogG= -0.008496 logG= -0.018037 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.140762 ETOT(band)= 0.003784 trlgG= -0.016319 logG= -0.018037 TDE= -0.134350 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004753 tlogG= -0.004050 logG= -0.008803 Density= 0.069801 ETOT(band)= 0.001426 trlgG= -0.008376 logG= -0.008803 TDE= -0.067046 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009628 tlogG= -0.006396 logG= -0.016024 Density= 0.136907 ETOT(band)= 0.000020 trlgG= -0.018156 logG= -0.016024 TDE= -0.134472 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009574 tlogG= -0.006941 logG= -0.016515 Density= 0.139042 ETOT(band)= 0.002454 trlgG= -0.016221 logG= -0.016515 TDE= -0.134110 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009729 tlogG= -0.005370 logG= -0.015099 Density= 0.134620 ETOT(band)= -0.002173 trlgG= -0.019490 logG= -0.015099 TDE= -0.134520 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019055 tlogG= -0.015881 logG= -0.034935 Density= 0.279984 ETOT(band)= 0.006345 trlgG= -0.032698 logG= -0.034935 TDE= -0.268409 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004842 tlogG= -0.002852 logG= -0.007694 Density= 0.068599 ETOT(band)= 0.000410 trlgG= -0.008477 logG= -0.007694 TDE= -0.067094 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009801 tlogG= -0.004990 logG= -0.014791 Density= 0.132270 ETOT(band)= -0.004354 trlgG= -0.021515 logG= -0.014791 TDE= -0.134583 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009472 tlogG= -0.009098 logG= -0.018570 Density= 0.139298 ETOT(band)= 0.002392 trlgG= -0.018098 logG= -0.018570 TDE= -0.134179 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009643 tlogG= -0.007604 logG= -0.017248 Density= 0.142663 ETOT(band)= 0.005564 trlgG= -0.013873 logG= -0.017248 TDE= -0.134531 logGD-logG0= -0.009932 tlogG= -0.006859 logG= -0.016791 Density= 0.146205 ETOT(band)= 0.008180 trlgG= -0.010959 logG= -0.016791 TDE= -0.135497 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009813 tlogG= -0.005770 logG= -0.015583 Density= 0.142348 ETOT(band)= 0.005129 trlgG= -0.012980 logG= -0.015583 TDE= -0.134997 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019163 tlogG= -0.014070 logG= -0.033232 Density= 0.276791 ETOT(band)= 0.003163 trlgG= -0.034307 logG= -0.033232 TDE= -0.268633 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019414 tlogG= -0.013382 logG= -0.032797 Density= 0.285296 ETOT(band)= 0.010981 trlgG= -0.026517 logG= -0.032797 TDE= -0.269501 logGD-logG0= -0.009613 tlogG= -0.006735 logG= -0.016348 Density= 0.140773 ETOT(band)= 0.004110 trlgG= -0.014552 logG= -0.016348 TDE= -0.134282 logGD-logG0= -0.019320 tlogG= -0.011806 logG= -0.031126 Density= 0.276805 ETOT(band)= 0.003449 trlgG= -0.032466 logG= -0.031126 TDE= -0.268912 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003177 tlogG= 0.070357 logG= 0.067180 Density= 0.046132 ETOT(band)= 0.000521 trlgG= 0.067108 logG= 0.067180 TDE= -0.044665 logGD-logG0= -0.002362 tlogG= 0.052278 logG= 0.049916 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Density= 0.034316 ETOT(band)= 0.000095 trlgG= 0.049550 logG= 0.049916 TDE= -0.033538 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003150 tlogG= 0.069679 logG= 0.066529 Density= 0.045663 ETOT(band)= 0.000052 trlgG= 0.065956 logG= 0.066529 TDE= -0.044714 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003158 tlogG= 0.069960 logG= 0.066802 Density= 0.046049 ETOT(band)= 0.000409 trlgG= 0.066617 logG= 0.066802 TDE= -0.044698 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009523 tlogG= 0.210949 logG= 0.201426 Density= 0.139076 ETOT(band)= 0.002205 trlgG= 0.201740 logG= 0.201426 TDE= -0.134123 logGD-logG0= -0.009468 tlogG= 0.209892 logG= 0.200424 Density= 0.138128 ETOT(band)= 0.001268 trlgG= 0.199825 logG= 0.200424 TDE= -0.134120 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009502 tlogG= 0.210591 logG= 0.201089 Density= 0.138689 ETOT(band)= 0.001852 trlgG= 0.201079 logG= 0.201089 TDE= -0.134073 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004726 tlogG= 0.104766 logG= 0.100040 Density= 0.068899 ETOT(band)= 0.000446 trlgG= 0.099578 logG= 0.100040 TDE= -0.067063 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.76378994215278 eV TrLogG= -11.8849499245635 eV Ratio to renormalize= 0.999999999905 rho-rho_expected= 0.000000001522 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 74) Finished k-point number 75 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 43) Finished k-point number 44 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 83) Finished k-point number 84 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 94) Finished k-point number 95 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933177491245771 0.929972701468929 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 17) Finished k-point number 18 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 92) Finished k-point number 93 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 95) Finished k-point number 96 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1518782614859 Density= 15.9990167361850 16.0000000000000 EF 13.4239920935995 Density= 16.5143333793565 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98664531 0.96664531 0.514333 -0.983264E-03 1 0.97664531 0.96664533 0.265138 -0.983264E-03 2 0.97164532 0.96664556 0.135022 -0.983264E-03 3 0.96914544 0.96664568 0.678613E-01 -0.983264E-03 4 0.96789556 0.96664538 0.336689E-01 -0.983264E-03 5 0.96727047 0.96664529 0.164021E-01 -0.983264E-03 6 0.96695788 0.96664534 0.772400E-02 -0.983264E-03 7 0.96680161 0.96664555 0.337448E-02 -0.983264E-03 8 0.96672358 0.96664568 0.119994E-02 -0.983264E-03 9 0.96668463 0.96664538 0.113788E-03 -0.983264E-03 10 0.96668054 0.96668463 -0.287872E-06 0.113788E-03 11 0.96668055 0.96668054 0.649081E-11 -0.287872E-06 Absolute convergence of |F(X)|. Difference in EF= 0.0004795080 EF set to : 13.1523577695 new EF (no-mixing): 13.1523577695 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001230 tlogG= -0.001263 logG= -0.002493 Density= 0.018859 ETOT(band)= 0.000978 trlgG= -0.001802 logG= -0.002493 TDE= -0.017540 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009820 tlogG= -0.009640 logG= -0.019460 Density= 0.150771 ETOT(band)= 0.008074 trlgG= -0.013690 logG= -0.019460 TDE= -0.139978 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002453 tlogG= -0.002431 logG= -0.004885 Density= 0.037667 ETOT(band)= 0.002048 trlgG= -0.003417 logG= -0.004885 TDE= -0.034944 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004906 tlogG= -0.004675 logG= -0.009581 Density= 0.075361 ETOT(band)= 0.004118 trlgG= -0.006617 logG= -0.009581 TDE= -0.069886 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002458 tlogG= -0.002110 logG= -0.004568 Density= 0.037212 ETOT(band)= 0.002078 trlgG= -0.003125 logG= -0.004568 TDE= -0.034530 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009843 tlogG= -0.008181 logG= -0.018025 Density= 0.149653 ETOT(band)= 0.008475 trlgG= -0.012003 logG= -0.018025 TDE= -0.138645 logGD-logG0= -0.001602 tlogG= -0.001319 logG= -0.002921 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.022664 ETOT(band)= -0.000468 trlgG= -0.003726 logG= -0.002921 TDE= -0.022714 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009843 tlogG= -0.006814 logG= -0.016657 Density= 0.145367 ETOT(band)= 0.005370 trlgG= -0.013716 logG= -0.016657 TDE= -0.137583 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009848 tlogG= -0.008785 logG= -0.018633 Density= 0.149799 ETOT(band)= 0.008499 trlgG= -0.012594 logG= -0.018633 TDE= -0.138769 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004925 tlogG= -0.004253 logG= -0.009178 Density= 0.074997 ETOT(band)= 0.004130 trlgG= -0.006275 logG= -0.009178 TDE= -0.069596 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009856 tlogG= -0.008917 logG= -0.018772 Density= 0.150264 ETOT(band)= 0.008505 trlgG= -0.012675 logG= -0.018772 TDE= -0.139159 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009817 tlogG= -0.007924 logG= -0.017741 Density= 0.149157 ETOT(band)= 0.009030 trlgG= -0.011157 logG= -0.017741 TDE= -0.137602 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019652 tlogG= -0.015027 logG= -0.034679 Density= 0.298085 ETOT(band)= 0.017582 trlgG= -0.021890 logG= -0.034679 TDE= -0.275364 logGD-logG0= -0.019685 tlogG= -0.016140 logG= -0.035825 Density= 0.299437 ETOT(band)= 0.016852 trlgG= -0.023881 logG= -0.035825 TDE= -0.277515 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009846 tlogG= -0.006769 logG= -0.016614 Density= 0.147360 ETOT(band)= 0.007437 trlgG= -0.011622 logG= -0.016614 TDE= -0.137457 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003199 tlogG= -0.002534 logG= -0.005733 Density= 0.045138 ETOT(band)= -0.000948 trlgG= -0.007400 logG= -0.005733 TDE= -0.045301 logGD-logG0= -0.003153 tlogG= -0.002615 logG= -0.005768 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.045697 ETOT(band)= 0.000019 trlgG= -0.006319 logG= -0.005768 TDE= -0.044725 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003181 tlogG= -0.002561 logG= -0.005742 Density= 0.045395 ETOT(band)= -0.000517 trlgG= -0.006906 logG= -0.005742 TDE= -0.045046 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009606 tlogG= -0.007478 logG= -0.017083 Density= 0.136100 ETOT(band)= -0.002449 trlgG= -0.021697 logG= -0.017083 TDE= -0.136178 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009527 tlogG= -0.007393 logG= -0.016919 Density= 0.136747 ETOT(band)= -0.000641 trlgG= -0.019480 logG= -0.016919 TDE= -0.134751 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009585 tlogG= -0.007321 logG= -0.016906 Density= 0.136011 ETOT(band)= -0.002006 trlgG= -0.021070 logG= -0.016906 TDE= -0.135643 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009599 tlogG= -0.007395 logG= -0.016995 logGD-logG0= -0.009906 tlogG= -0.007271 logG= -0.017177 Density= 0.135957 ETOT(band)= -0.002405 trlgG= -0.021584 logG= -0.016995 TDE= -0.136016 Density= 0.147524 ETOT(band)= 0.007957 trlgG= -0.011682 logG= -0.017177 TDE= -0.137113 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009851 tlogG= -0.007686 logG= -0.017537 Density= 0.148517 ETOT(band)= 0.009214 trlgG= -0.010779 logG= -0.017537 TDE= -0.136810 logGD-logG0= -0.009915 tlogG= -0.006569 logG= -0.016483 Density= 0.143514 ETOT(band)= 0.004186 trlgG= -0.014591 logG= -0.016483 TDE= -0.136840 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009711 tlogG= -0.006416 logG= -0.016127 logGD-logG0= -0.009671 tlogG= -0.005984 logG= -0.015654 Density= 0.137876 ETOT(band)= -0.000303 trlgG= -0.018187 logG= -0.015654 TDE= -0.135815 Density= 0.140404 ETOT(band)= 0.002351 trlgG= -0.016056 logG= -0.016127 TDE= -0.135655 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004856 tlogG= -0.003107 logG= -0.007963 logGD-logG0= -0.009563 tlogG= -0.007355 logG= -0.016918 Density= 0.067268 ETOT(band)= -0.002108 trlgG= -0.011139 logG= -0.007963 TDE= -0.068203 logGD-logG0= -0.009621 tlogG= -0.006666 logG= -0.016288 Density= 0.137385 ETOT(band)= -0.000822 trlgG= -0.019388 logG= -0.016288 TDE= -0.135907 Density= 0.136259 ETOT(band)= -0.001584 trlgG= -0.020577 logG= -0.016918 TDE= -0.135378 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004858 tlogG= -0.002589 logG= -0.007447 Density= 0.065671 ETOT(band)= -0.002934 trlgG= -0.011380 logG= -0.007447 TDE= -0.067416 logGD-logG0= -0.009606 tlogG= -0.006892 logG= -0.016499 Density= 0.136979 ETOT(band)= -0.001372 trlgG= -0.020138 logG= -0.016499 TDE= -0.136054 logGD-logG0= -0.009698 tlogG= -0.005651 logG= -0.015348 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.133394 ETOT(band)= -0.004555 trlgG= -0.021942 logG= -0.015348 TDE= -0.135543 logGD-logG0= -0.009649 tlogG= -0.005664 logG= -0.015313 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136758 ETOT(band)= -0.000877 trlgG= -0.018452 logG= -0.015313 TDE= -0.135340 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009716 tlogG= -0.006045 logG= -0.015762 Density= 0.135417 ETOT(band)= -0.003011 trlgG= -0.020907 logG= -0.015762 TDE= -0.136050 logGD-logG0= -0.009802 tlogG= -0.006653 logG= -0.016455 Density= 0.144017 ETOT(band)= 0.006159 trlgG= -0.012553 logG= -0.016455 TDE= -0.135316 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009684 tlogG= -0.006187 logG= -0.015871 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138505 ETOT(band)= 0.000288 trlgG= -0.017757 logG= -0.015871 TDE= -0.135775 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009604 tlogG= -0.006881 logG= -0.016485 Density= 0.138047 ETOT(band)= 0.000126 trlgG= -0.018394 logG= -0.016485 TDE= -0.135356 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009919 tlogG= -0.006638 logG= -0.016557 Density= 0.144725 ETOT(band)= 0.004866 trlgG= -0.014100 logG= -0.016557 TDE= -0.137445 logGD-logG0= -0.019863 tlogG= -0.012919 logG= -0.032781 logGD-logG0= -0.019316 tlogG= -0.012065 logG= -0.031381 Density= 0.277581 ETOT(band)= 0.001447 trlgG= -0.034480 logG= -0.031381 TDE= -0.271431 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.287886 ETOT(band)= 0.008719 trlgG= -0.028770 logG= -0.032781 TDE= -0.274283 logGD-logG0= -0.009551 tlogG= -0.006867 logG= -0.016418 Density= 0.138697 ETOT(band)= 0.001492 trlgG= -0.017098 logG= -0.016418 TDE= -0.134755 logGD-logG0= -0.019201 tlogG= -0.013782 logG= -0.032982 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.274125 ETOT(band)= -0.002124 trlgG= -0.039516 logG= -0.032982 TDE= -0.271525 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004948 tlogG= -0.003637 logG= -0.008585 Density= 0.074555 ETOT(band)= 0.004257 trlgG= -0.005535 logG= -0.008585 TDE= -0.069020 logGD-logG0= -0.019337 tlogG= -0.012218 logG= -0.031554 Density= 0.277952 ETOT(band)= 0.001517 trlgG= -0.034611 logG= -0.031554 TDE= -0.271748 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009614 tlogG= -0.006696 logG= -0.016310 Density= 0.137435 ETOT(band)= -0.000851 trlgG= -0.019408 logG= -0.016310 TDE= -0.135953 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019129 tlogG= -0.013830 logG= -0.032959 Density= 0.274804 ETOT(band)= -0.000291 trlgG= -0.037294 logG= -0.032959 TDE= -0.269983 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019306 tlogG= -0.012368 logG= -0.031673 logGD-logG0= -0.019439 tlogG= -0.011542 logG= -0.030981 Density= 0.275474 ETOT(band)= -0.000966 trlgG= -0.036324 logG= -0.030981 TDE= -0.271639 Density= 0.277650 ETOT(band)= 0.001796 trlgG= -0.034280 logG= -0.031673 TDE= -0.271006 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019467 tlogG= -0.010257 logG= -0.029724 logGD-logG0= -0.019412 tlogG= -0.010923 logG= -0.030335 Density= 0.271717 ETOT(band)= -0.004020 trlgG= -0.038827 logG= -0.030335 TDE= -0.271156 Density= 0.266502 ETOT(band)= -0.008142 trlgG= -0.042181 logG= -0.029724 TDE= -0.270079 logGD-logG0= -0.000393 tlogG= 0.008695 logG= 0.008301 Density= 0.005692 ETOT(band)= -0.000010 trlgG= 0.008213 logG= 0.008301 TDE= -0.005590 logGD-logG0= -0.019595 tlogG= -0.012182 logG= -0.031777 logGD-logG0= -0.009718 tlogG= -0.005475 logG= -0.015193 Density= 0.132924 ETOT(band)= -0.004977 trlgG= -0.022160 logG= -0.015193 TDE= -0.135463 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.282443 ETOT(band)= 0.005591 trlgG= -0.030794 logG= -0.031777 TDE= -0.272049 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019237 tlogG= -0.011759 logG= -0.030995 Density= 0.276105 ETOT(band)= 0.001295 trlgG= -0.034109 logG= -0.030995 TDE= -0.270018 logGD-logG0= -0.019529 tlogG= -0.010594 logG= -0.030123 Density= 0.279852 ETOT(band)= 0.004132 trlgG= -0.030473 logG= -0.030123 TDE= -0.270877 logGD-logG0= -0.019496 tlogG= -0.010680 logG= -0.030176 Density= 0.272889 ETOT(band)= -0.003472 trlgG= -0.037963 logG= -0.030176 TDE= -0.271584 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019233 tlogG= -0.012473 logG= -0.031706 Density= 0.278623 ETOT(band)= 0.003906 trlgG= -0.032479 logG= -0.031706 TDE= -0.270113 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009817 tlogG= -0.004857 logG= -0.014675 Density= 0.132694 ETOT(band)= -0.004650 trlgG= -0.021673 logG= -0.014675 TDE= -0.135272 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019832 tlogG= -0.013014 logG= -0.032846 Density= 0.290871 ETOT(band)= 0.013922 trlgG= -0.023528 logG= -0.032846 TDE= -0.271861 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019716 tlogG= -0.012001 logG= -0.031717 Density= 0.281713 ETOT(band)= 0.003586 trlgG= -0.032695 logG= -0.031717 TDE= -0.273305 logGD-logG0= -0.019442 tlogG= -0.010669 logG= -0.030111 Density= 0.277224 ETOT(band)= 0.002469 trlgG= -0.032542 logG= -0.030111 TDE= -0.270418 logGD-logG0= -0.019460 tlogG= -0.011731 logG= -0.031191 Density= 0.269127 ETOT(band)= -0.007748 trlgG= -0.043216 logG= -0.031191 TDE= -0.272185 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009798 tlogG= -0.005269 logG= -0.015067 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.140715 ETOT(band)= 0.002570 trlgG= -0.014780 logG= -0.015067 TDE= -0.135739 logGD-logG0= -0.009924 tlogG= -0.006109 logG= -0.016033 Density= 0.144977 ETOT(band)= 0.006277 trlgG= -0.012076 logG= -0.016033 TDE= -0.136189 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019634 tlogG= -0.011247 logG= -0.030881 Density= 0.279842 ETOT(band)= 0.003106 trlgG= -0.032394 logG= -0.030881 TDE= -0.272031 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009588 tlogG= -0.006568 logG= -0.016157 Density= 0.137158 ETOT(band)= -0.000631 trlgG= -0.018993 logG= -0.016157 TDE= -0.135424 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009716 tlogG= -0.005174 logG= -0.014889 Density= 0.136139 ETOT(band)= -0.001845 trlgG= -0.018801 logG= -0.014889 TDE= -0.135515 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009739 tlogG= -0.005312 logG= -0.015051 Density= 0.136906 ETOT(band)= -0.001212 trlgG= -0.018475 logG= -0.015051 TDE= -0.135768 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019517 tlogG= -0.010157 logG= -0.029675 Density= 0.269085 ETOT(band)= -0.006460 trlgG= -0.040428 logG= -0.029675 TDE= -0.270872 logGD-logG0= -0.009729 tlogG= -0.005520 logG= -0.015249 Density= 0.135522 ETOT(band)= -0.002747 trlgG= -0.020022 logG= -0.015249 TDE= -0.135779 logGD-logG0= -0.004870 tlogG= -0.002680 logG= -0.007550 Density= 0.068479 ETOT(band)= -0.000637 trlgG= -0.009278 logG= -0.007550 TDE= -0.067925 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002473 tlogG= -0.001902 logG= -0.004374 Density= 0.036998 ETOT(band)= 0.002368 trlgG= -0.002592 logG= -0.004374 TDE= -0.033983 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002370 tlogG= -0.002357 logG= -0.004727 Density= 0.034798 ETOT(band)= 0.000567 trlgG= -0.004650 logG= -0.004727 TDE= -0.033560 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009525 tlogG= -0.007794 logG= -0.017319 Density= 0.138137 ETOT(band)= 0.001293 trlgG= -0.017899 logG= -0.017319 TDE= -0.134114 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009572 tlogG= -0.007436 logG= -0.017008 Density= 0.137007 ETOT(band)= -0.000078 trlgG= -0.018963 logG= -0.017008 TDE= -0.134396 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009850 tlogG= -0.007269 logG= -0.017119 Density= 0.145354 ETOT(band)= 0.007734 trlgG= -0.011574 logG= -0.017119 TDE= -0.134966 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009592 tlogG= -0.007395 logG= -0.016987 logGD-logG0= -0.002422 tlogG= -0.001990 logG= -0.004411 Density= 0.140976 ETOT(band)= 0.004068 trlgG= -0.015121 logG= -0.016987 TDE= -0.134413 Density= 0.035870 ETOT(band)= 0.001546 trlgG= -0.003401 logG= -0.004411 TDE= -0.033664 logGD-logG0= -0.004754 tlogG= -0.004050 logG= -0.008803 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.069801 ETOT(band)= 0.001429 trlgG= -0.008374 logG= -0.008803 TDE= -0.067046 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009506 tlogG= -0.008024 logG= -0.017531 Density= 0.138427 ETOT(band)= 0.001695 trlgG= -0.017715 logG= -0.017531 TDE= -0.133999 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009728 tlogG= -0.005371 logG= -0.015099 Density= 0.134625 ETOT(band)= -0.002164 trlgG= -0.019480 logG= -0.015099 TDE= -0.134521 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009540 tlogG= -0.008496 logG= -0.018036 logGD-logG0= -0.009627 tlogG= -0.006395 logG= -0.016022 Density= 0.136906 ETOT(band)= 0.000024 trlgG= -0.018151 logG= -0.016022 TDE= -0.134473 Density= 0.140762 ETOT(band)= 0.003788 trlgG= -0.016315 logG= -0.018036 TDE= -0.134350 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009575 tlogG= -0.006941 logG= -0.016516 Density= 0.139041 ETOT(band)= 0.002459 trlgG= -0.016219 logG= -0.016516 TDE= -0.134110 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019416 tlogG= -0.013383 logG= -0.032799 Density= 0.285298 ETOT(band)= 0.010994 trlgG= -0.026509 logG= -0.032799 TDE= -0.269502 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009803 tlogG= -0.004993 logG= -0.014796 Density= 0.132279 ETOT(band)= -0.004340 trlgG= -0.021507 logG= -0.014796 TDE= -0.134583 logGD-logG0= -0.004843 tlogG= -0.002854 logG= -0.007697 Density= 0.068600 ETOT(band)= 0.000413 trlgG= -0.008476 logG= -0.007697 TDE= -0.067094 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009472 tlogG= -0.009098 logG= -0.018570 logGD-logG0= -0.009644 tlogG= -0.007604 logG= -0.017248 Density= 0.142664 ETOT(band)= 0.005569 trlgG= -0.013869 logG= -0.017248 TDE= -0.134531 Density= 0.139297 ETOT(band)= 0.002396 trlgG= -0.018094 logG= -0.018570 TDE= -0.134180 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019055 tlogG= -0.015880 logG= -0.034935 Density= 0.279984 ETOT(band)= 0.006354 trlgG= -0.032690 logG= -0.034935 TDE= -0.268410 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019162 tlogG= -0.014072 logG= -0.033235 Density= 0.276789 ETOT(band)= 0.003170 trlgG= -0.034302 logG= -0.033235 TDE= -0.268634 logGD-logG0= -0.009813 tlogG= -0.005770 logG= -0.015583 Density= 0.142350 ETOT(band)= 0.005136 trlgG= -0.012974 logG= -0.015583 TDE= -0.134998 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009932 tlogG= -0.006859 logG= -0.016791 Density= 0.146203 ETOT(band)= 0.008184 trlgG= -0.010957 logG= -0.016791 TDE= -0.135497 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019321 tlogG= -0.011807 logG= -0.031128 Density= 0.276803 ETOT(band)= 0.003457 trlgG= -0.032462 logG= -0.031128 TDE= -0.268913 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009613 tlogG= -0.006735 logG= -0.016348 Density= 0.140772 ETOT(band)= 0.004113 trlgG= -0.014549 logG= -0.016348 TDE= -0.134282 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003150 tlogG= 0.069682 logG= 0.066532 Density= 0.045663 ETOT(band)= 0.000054 trlgG= 0.065959 logG= 0.066532 TDE= -0.044714 logGD-logG0= -0.003176 tlogG= 0.070360 logG= 0.067183 Density= 0.046132 ETOT(band)= 0.000522 trlgG= 0.067113 logG= 0.067183 TDE= -0.044665 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002362 tlogG= 0.052280 logG= 0.049918 Density= 0.034316 ETOT(band)= 0.000096 trlgG= 0.049553 logG= 0.049918 TDE= -0.033538 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003158 tlogG= 0.069962 logG= 0.066804 Density= 0.046049 ETOT(band)= 0.000410 trlgG= 0.066621 logG= 0.066804 TDE= -0.044698 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009523 tlogG= 0.210957 logG= 0.201434 Density= 0.139075 ETOT(band)= 0.002209 trlgG= 0.201752 logG= 0.201434 TDE= -0.134123 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009468 tlogG= 0.209900 logG= 0.200433 Density= 0.138126 ETOT(band)= 0.001271 trlgG= 0.199837 logG= 0.200433 TDE= -0.134120 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004726 tlogG= 0.104770 logG= 0.100044 Density= 0.068898 ETOT(band)= 0.000448 trlgG= 0.099584 logG= 0.100044 TDE= -0.067063 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009503 tlogG= 0.210598 logG= 0.201096 Density= 0.138689 ETOT(band)= 0.001857 trlgG= 0.201090 logG= 0.201096 TDE= -0.134073 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.77125610632658 eV TrLogG= -11.8775605940520 eV Ratio to renormalize= 0.999999999737 rho-rho_expected= 0.000000004209 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 28) Finished k-point number 29 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 58) Finished k-point number 59 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 93) Finished k-point number 94 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933201297923980 0.930008413197316 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1523577695152 Density= 16.0001350240483 16.0000000000000 EF 12.8802439374016 Density= 15.3661627777689 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96668055 0.94668055 0.135024E-03 -0.633837 1 0.96667629 0.94668055 0.162225E-04 -0.633837 2 0.96667571 0.96667629 -0.192806E-10 0.162225E-04 Absolute convergence of |F(X)|. Difference in EF= -0.0000658687 EF set to : 13.1522919008 new EF (no-mixing): 13.1522919008 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001230 tlogG= -0.001263 logG= -0.002493 Density= 0.018859 ETOT(band)= 0.000978 trlgG= -0.001802 logG= -0.002493 TDE= -0.017540 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009820 tlogG= -0.009640 logG= -0.019460 Density= 0.150771 ETOT(band)= 0.008073 trlgG= -0.013691 logG= -0.019460 TDE= -0.139977 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002453 tlogG= -0.002431 logG= -0.004885 Density= 0.037667 ETOT(band)= 0.002048 trlgG= -0.003417 logG= -0.004885 TDE= -0.034944 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004906 tlogG= -0.004675 logG= -0.009581 Density= 0.075361 ETOT(band)= 0.004118 trlgG= -0.006618 logG= -0.009581 TDE= -0.069886 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002458 tlogG= -0.002110 logG= -0.004568 Density= 0.037212 ETOT(band)= 0.002078 trlgG= -0.003125 logG= -0.004568 TDE= -0.034529 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001602 tlogG= -0.001319 logG= -0.002921 Density= 0.022663 ETOT(band)= -0.000468 trlgG= -0.003726 logG= -0.002921 TDE= -0.022714 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009843 tlogG= -0.008180 logG= -0.018023 Density= 0.149653 ETOT(band)= 0.008475 trlgG= -0.012001 logG= -0.018023 TDE= -0.138645 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009843 tlogG= -0.006813 logG= -0.016656 Density= 0.145371 ETOT(band)= 0.005373 trlgG= -0.013712 logG= -0.016656 TDE= -0.137583 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009848 tlogG= -0.008785 logG= -0.018633 logGD-logG0= -0.004925 tlogG= -0.004253 logG= -0.009178 Density= 0.074997 ETOT(band)= 0.004129 trlgG= -0.006275 logG= -0.009178 TDE= -0.069595 Density= 0.149799 ETOT(band)= 0.008498 trlgG= -0.012594 logG= -0.018633 TDE= -0.138769 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009856 tlogG= -0.008917 logG= -0.018772 Density= 0.150264 ETOT(band)= 0.008505 trlgG= -0.012675 logG= -0.018772 TDE= -0.139159 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009817 tlogG= -0.007924 logG= -0.017741 Density= 0.149157 ETOT(band)= 0.009030 trlgG= -0.011157 logG= -0.017741 TDE= -0.137602 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019685 tlogG= -0.016140 logG= -0.035824 Density= 0.299436 ETOT(band)= 0.016851 trlgG= -0.023881 logG= -0.035824 TDE= -0.277515 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019652 tlogG= -0.015027 logG= -0.034679 Density= 0.298087 ETOT(band)= 0.017583 trlgG= -0.021889 logG= -0.034679 TDE= -0.275364 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009846 tlogG= -0.006769 logG= -0.016614 Density= 0.147359 ETOT(band)= 0.007436 trlgG= -0.011622 logG= -0.016614 TDE= -0.137457 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003153 tlogG= -0.002615 logG= -0.005768 Density= 0.045697 ETOT(band)= 0.000018 trlgG= -0.006319 logG= -0.005768 TDE= -0.044725 logGD-logG0= -0.003199 tlogG= -0.002534 logG= -0.005733 Density= 0.045138 ETOT(band)= -0.000948 trlgG= -0.007400 logG= -0.005733 TDE= -0.045301 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003181 tlogG= -0.002561 logG= -0.005742 Density= 0.045395 ETOT(band)= -0.000517 trlgG= -0.006906 logG= -0.005742 TDE= -0.045046 logGD-logG0= -0.009599 tlogG= -0.007394 logG= -0.016993 Density= 0.135957 ETOT(band)= -0.002405 trlgG= -0.021582 logG= -0.016993 TDE= -0.136015 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009605 tlogG= -0.007478 logG= -0.017083 Density= 0.136100 ETOT(band)= -0.002449 trlgG= -0.021696 logG= -0.017083 TDE= -0.136178 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009584 tlogG= -0.007324 logG= -0.016909 Density= 0.136010 ETOT(band)= -0.002008 trlgG= -0.021073 logG= -0.016909 TDE= -0.135642 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009527 tlogG= -0.007393 logG= -0.016920 Density= 0.136747 ETOT(band)= -0.000642 trlgG= -0.019482 logG= -0.016920 TDE= -0.134751 logGD-logG0= -0.009906 tlogG= -0.007272 logG= -0.017178 Density= 0.147524 ETOT(band)= 0.007957 trlgG= -0.011682 logG= -0.017178 TDE= -0.137113 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009712 tlogG= -0.006416 logG= -0.016127 Density= 0.140404 ETOT(band)= 0.002350 trlgG= -0.016058 logG= -0.016127 TDE= -0.135655 logGD-logG0= -0.009915 tlogG= -0.006569 logG= -0.016484 Density= 0.143517 ETOT(band)= 0.004188 trlgG= -0.014589 logG= -0.016484 TDE= -0.136840 logGD-logG0= -0.009615 tlogG= -0.006697 logG= -0.016312 Density= 0.137434 ETOT(band)= -0.000852 trlgG= -0.019410 logG= -0.016312 TDE= -0.135953 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009851 tlogG= -0.007686 logG= -0.017538 Density= 0.148517 ETOT(band)= 0.009215 trlgG= -0.010779 logG= -0.017538 TDE= -0.136810 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009586 tlogG= -0.006567 logG= -0.016153 logGD-logG0= -0.009622 tlogG= -0.006667 logG= -0.016289 Density= 0.137385 ETOT(band)= -0.000821 trlgG= -0.019389 logG= -0.016289 TDE= -0.135907 Density= 0.137157 ETOT(band)= -0.000634 trlgG= -0.018991 logG= -0.016153 TDE= -0.135424 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009563 tlogG= -0.007356 logG= -0.016918 Density= 0.136259 ETOT(band)= -0.001585 trlgG= -0.020578 logG= -0.016918 TDE= -0.135378 logGD-logG0= -0.009649 tlogG= -0.005663 logG= -0.015312 Density= 0.136755 ETOT(band)= -0.000880 trlgG= -0.018453 logG= -0.015312 TDE= -0.135339 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009670 tlogG= -0.005984 logG= -0.015654 Density= 0.137875 ETOT(band)= -0.000305 trlgG= -0.018188 logG= -0.015654 TDE= -0.135815 logGD-logG0= -0.004858 tlogG= -0.002589 logG= -0.007447 Density= 0.065685 ETOT(band)= -0.002920 trlgG= -0.011368 logG= -0.007447 TDE= -0.067416 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009551 tlogG= -0.006870 logG= -0.016421 Density= 0.138696 ETOT(band)= 0.001490 trlgG= -0.017102 logG= -0.016421 TDE= -0.134755 logGD-logG0= -0.009604 tlogG= -0.006882 logG= -0.016485 Density= 0.138047 ETOT(band)= 0.000125 trlgG= -0.018395 logG= -0.016485 TDE= -0.135356 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004856 tlogG= -0.003107 logG= -0.007964 logGD-logG0= -0.009606 tlogG= -0.006892 logG= -0.016499 Density= 0.136979 ETOT(band)= -0.001373 trlgG= -0.020139 logG= -0.016499 TDE= -0.136054 Density= 0.067269 ETOT(band)= -0.002108 trlgG= -0.011140 logG= -0.007964 TDE= -0.068203 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009802 tlogG= -0.006654 logG= -0.016456 Density= 0.144015 ETOT(band)= 0.006156 trlgG= -0.012556 logG= -0.016456 TDE= -0.135315 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009685 tlogG= -0.006186 logG= -0.015871 Density= 0.138504 ETOT(band)= 0.000287 trlgG= -0.017757 logG= -0.015871 TDE= -0.135775 logGD-logG0= -0.009698 tlogG= -0.005651 logG= -0.015348 Density= 0.133392 ETOT(band)= -0.004557 trlgG= -0.021944 logG= -0.015348 TDE= -0.135543 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009717 tlogG= -0.006046 logG= -0.015764 Density= 0.135417 ETOT(band)= -0.003011 trlgG= -0.020909 logG= -0.015764 TDE= -0.136050 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019202 tlogG= -0.013783 logG= -0.032985 Density= 0.274125 ETOT(band)= -0.002123 trlgG= -0.039519 logG= -0.032985 TDE= -0.271524 logGD-logG0= -0.009919 tlogG= -0.006638 logG= -0.016557 Density= 0.144729 ETOT(band)= 0.004869 trlgG= -0.014096 logG= -0.016557 TDE= -0.137445 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019417 tlogG= -0.010928 logG= -0.030344 Density= 0.271722 ETOT(band)= -0.004014 trlgG= -0.038833 logG= -0.030344 TDE= -0.271155 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019316 tlogG= -0.012064 logG= -0.031380 Density= 0.277582 ETOT(band)= 0.001447 trlgG= -0.034479 logG= -0.031380 TDE= -0.271430 logGD-logG0= -0.019595 tlogG= -0.012184 logG= -0.031779 logGD-logG0= -0.019863 tlogG= -0.012919 logG= -0.032782 Density= 0.287888 ETOT(band)= 0.008720 trlgG= -0.028770 logG= -0.032782 TDE= -0.274283 Density= 0.282445 ETOT(band)= 0.005593 trlgG= -0.030794 logG= -0.031779 TDE= -0.272049 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004948 tlogG= -0.003637 logG= -0.008585 Density= 0.074555 ETOT(band)= 0.004257 trlgG= -0.005535 logG= -0.008585 TDE= -0.069020 logGD-logG0= -0.019438 tlogG= -0.011542 logG= -0.030980 logGD-logG0= -0.019832 tlogG= -0.013013 logG= -0.032845 Density= 0.290863 ETOT(band)= 0.013914 trlgG= -0.023535 logG= -0.032845 TDE= -0.271860 Density= 0.275472 ETOT(band)= -0.000970 trlgG= -0.036326 logG= -0.030980 TDE= -0.271639 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019231 tlogG= -0.012468 logG= -0.031699 Density= 0.278622 ETOT(band)= 0.003903 trlgG= -0.032474 logG= -0.031699 TDE= -0.270112 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009819 tlogG= -0.004858 logG= -0.014677 Density= 0.132694 ETOT(band)= -0.004650 trlgG= -0.021676 logG= -0.014677 TDE= -0.135271 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019229 tlogG= -0.011750 logG= -0.030979 Density= 0.276092 ETOT(band)= 0.001279 trlgG= -0.034105 logG= -0.030979 TDE= -0.270018 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019128 tlogG= -0.013831 logG= -0.032959 Density= 0.274802 ETOT(band)= -0.000294 trlgG= -0.037297 logG= -0.032959 TDE= -0.269982 logGD-logG0= -0.000393 tlogG= 0.008695 logG= 0.008301 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.005692 ETOT(band)= -0.000010 trlgG= 0.008213 logG= 0.008301 TDE= -0.005590 logGD-logG0= -0.019304 tlogG= -0.012366 logG= -0.031670 logGD-logG0= -0.019467 tlogG= -0.010258 logG= -0.029724 Density= 0.266504 ETOT(band)= -0.008141 trlgG= -0.042180 logG= -0.029724 TDE= -0.270078 Density= 0.277647 ETOT(band)= 0.001791 trlgG= -0.034280 logG= -0.031670 TDE= -0.271005 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.009719 tlogG= -0.005476 logG= -0.015194 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.132933 ETOT(band)= -0.004969 trlgG= -0.022154 logG= -0.015194 TDE= -0.135462 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019530 tlogG= -0.010591 logG= -0.030120 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.279850 ETOT(band)= 0.004129 trlgG= -0.030472 logG= -0.030120 TDE= -0.270876 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019339 tlogG= -0.012221 logG= -0.031560 Density= 0.277954 ETOT(band)= 0.001519 trlgG= -0.034616 logG= -0.031560 TDE= -0.271747 logGD-logG0= -0.019460 tlogG= -0.011731 logG= -0.031191 Density= 0.269123 ETOT(band)= -0.007753 trlgG= -0.043221 logG= -0.031191 TDE= -0.272185 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019633 tlogG= -0.011248 logG= -0.030881 Density= 0.279834 ETOT(band)= 0.003098 trlgG= -0.032402 logG= -0.030881 TDE= -0.272030 logGD-logG0= -0.019443 tlogG= -0.010672 logG= -0.030114 Density= 0.277241 ETOT(band)= 0.002486 trlgG= -0.032530 logG= -0.030114 TDE= -0.270417 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009924 tlogG= -0.006109 logG= -0.016033 logGD-logG0= -0.019717 tlogG= -0.012002 logG= -0.031719 Density= 0.144976 ETOT(band)= 0.006276 trlgG= -0.012077 logG= -0.016033 TDE= -0.136188 logGD-logG0= -0.019496 tlogG= -0.010680 logG= -0.030176 Density= 0.272888 ETOT(band)= -0.003474 trlgG= -0.037964 logG= -0.030176 TDE= -0.271583 Density= 0.281720 ETOT(band)= 0.003592 trlgG= -0.032691 logG= -0.031719 TDE= -0.273304 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019519 tlogG= -0.010158 logG= -0.029677 Density= 0.269084 ETOT(band)= -0.006461 trlgG= -0.040431 logG= -0.029677 TDE= -0.270871 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009797 tlogG= -0.005269 logG= -0.015066 Density= 0.140715 ETOT(band)= 0.002569 trlgG= -0.014780 logG= -0.015066 TDE= -0.135739 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009730 tlogG= -0.005521 logG= -0.015251 Density= 0.135521 ETOT(band)= -0.002747 trlgG= -0.020025 logG= -0.015251 TDE= -0.135779 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004870 tlogG= -0.002680 logG= -0.007550 Density= 0.068479 ETOT(band)= -0.000637 trlgG= -0.009278 logG= -0.007550 TDE= -0.067925 logGD-logG0= -0.009715 tlogG= -0.005173 logG= -0.014888 Density= 0.136139 ETOT(band)= -0.001845 trlgG= -0.018801 logG= -0.014888 TDE= -0.135514 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009739 tlogG= -0.005312 logG= -0.015051 Density= 0.136905 ETOT(band)= -0.001213 trlgG= -0.018476 logG= -0.015051 TDE= -0.135768 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002473 tlogG= -0.001902 logG= -0.004374 Density= 0.036998 ETOT(band)= 0.002367 trlgG= -0.002592 logG= -0.004374 TDE= -0.033983 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009525 tlogG= -0.007794 logG= -0.017319 Density= 0.138136 ETOT(band)= 0.001293 trlgG= -0.017899 logG= -0.017319 TDE= -0.134113 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002370 tlogG= -0.002357 logG= -0.004727 Density= 0.034797 ETOT(band)= 0.000567 trlgG= -0.004650 logG= -0.004727 TDE= -0.033560 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009508 tlogG= -0.008026 logG= -0.017534 Density= 0.138427 ETOT(band)= 0.001695 trlgG= -0.017718 logG= -0.017534 TDE= -0.133999 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002422 tlogG= -0.001990 logG= -0.004411 Density= 0.035870 ETOT(band)= 0.001546 trlgG= -0.003401 logG= -0.004411 TDE= -0.033664 logGD-logG0= -0.009573 tlogG= -0.007437 logG= -0.017010 Density= 0.137005 ETOT(band)= -0.000079 trlgG= -0.018966 logG= -0.017010 TDE= -0.134396 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009540 tlogG= -0.008496 logG= -0.018036 logGD-logG0= -0.009850 tlogG= -0.007270 logG= -0.017119 logGD-logG0= -0.004753 tlogG= -0.004050 logG= -0.008803 Density= 0.145353 ETOT(band)= 0.007733 trlgG= -0.011576 logG= -0.017119 TDE= -0.134966 Density= 0.140761 ETOT(band)= 0.003787 trlgG= -0.016316 logG= -0.018036 TDE= -0.134350 Density= 0.069801 ETOT(band)= 0.001428 trlgG= -0.008374 logG= -0.008803 TDE= -0.067046 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009573 tlogG= -0.006939 logG= -0.016512 logGD-logG0= -0.009593 tlogG= -0.007394 logG= -0.016987 Density= 0.139041 ETOT(band)= 0.002457 trlgG= -0.016214 logG= -0.016512 TDE= -0.134110 Density= 0.140976 ETOT(band)= 0.004068 trlgG= -0.015122 logG= -0.016987 TDE= -0.134413 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009628 tlogG= -0.006393 logG= -0.016021 Density= 0.136905 ETOT(band)= 0.000023 trlgG= -0.018151 logG= -0.016021 TDE= -0.134473 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009728 tlogG= -0.005369 logG= -0.015097 Density= 0.134621 ETOT(band)= -0.002169 trlgG= -0.019483 logG= -0.015097 TDE= -0.134521 logGD-logG0= -0.004842 tlogG= -0.002853 logG= -0.007695 Density= 0.068601 ETOT(band)= 0.000414 trlgG= -0.008474 logG= -0.007695 TDE= -0.067094 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019416 tlogG= -0.013383 logG= -0.032798 Density= 0.285298 ETOT(band)= 0.010992 trlgG= -0.026510 logG= -0.032798 TDE= -0.269502 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019055 tlogG= -0.015880 logG= -0.034935 Density= 0.279983 ETOT(band)= 0.006353 trlgG= -0.032691 logG= -0.034935 TDE= -0.268409 logGD-logG0= -0.009801 tlogG= -0.004993 logG= -0.014794 Density= 0.132276 ETOT(band)= -0.004345 trlgG= -0.021509 logG= -0.014794 TDE= -0.134583 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009472 tlogG= -0.009098 logG= -0.018570 Density= 0.139297 ETOT(band)= 0.002395 trlgG= -0.018095 logG= -0.018570 TDE= -0.134180 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019164 tlogG= -0.014075 logG= -0.033239 Density= 0.276788 ETOT(band)= 0.003168 trlgG= -0.034308 logG= -0.033239 TDE= -0.268634 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009644 tlogG= -0.007604 logG= -0.017248 Density= 0.142663 ETOT(band)= 0.005569 trlgG= -0.013869 logG= -0.017248 TDE= -0.134531 logGD-logG0= -0.009932 tlogG= -0.006859 logG= -0.016791 Density= 0.146203 ETOT(band)= 0.008183 trlgG= -0.010957 logG= -0.016791 TDE= -0.135497 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009813 tlogG= -0.005770 logG= -0.015583 Density= 0.142349 ETOT(band)= 0.005134 trlgG= -0.012975 logG= -0.015583 TDE= -0.134997 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019321 tlogG= -0.011809 logG= -0.031130 Density= 0.276805 ETOT(band)= 0.003458 trlgG= -0.032462 logG= -0.031130 TDE= -0.268913 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009612 tlogG= -0.006735 logG= -0.016347 Density= 0.140771 ETOT(band)= 0.004112 trlgG= -0.014549 logG= -0.016347 TDE= -0.134282 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003150 tlogG= 0.069682 logG= 0.066532 Density= 0.045663 ETOT(band)= 0.000053 trlgG= 0.065959 logG= 0.066532 TDE= -0.044714 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003177 tlogG= 0.070359 logG= 0.067183 Density= 0.046132 ETOT(band)= 0.000522 trlgG= 0.067112 logG= 0.067183 TDE= -0.044665 logGD-logG0= -0.003158 tlogG= 0.069962 logG= 0.066805 Density= 0.046049 ETOT(band)= 0.000410 trlgG= 0.066621 logG= 0.066805 TDE= -0.044698 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002362 tlogG= 0.052280 logG= 0.049918 Density= 0.034316 ETOT(band)= 0.000096 trlgG= 0.049552 logG= 0.049918 TDE= -0.033538 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004726 tlogG= 0.104770 logG= 0.100044 Density= 0.068898 ETOT(band)= 0.000448 trlgG= 0.099583 logG= 0.100044 TDE= -0.067063 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009468 tlogG= 0.209899 logG= 0.200431 Density= 0.138126 ETOT(band)= 0.001271 trlgG= 0.199835 logG= 0.200431 TDE= -0.134120 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009502 tlogG= 0.210598 logG= 0.201096 Density= 0.138688 ETOT(band)= 0.001855 trlgG= 0.201090 logG= 0.201096 TDE= -0.134073 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009523 tlogG= 0.210956 logG= 0.201432 Density= 0.139075 ETOT(band)= 0.002209 trlgG= 0.201750 logG= 0.201432 TDE= -0.134123 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.77053926738234 eV TrLogG= -11.8782518514876 eV Ratio to renormalize= 0.999999999739 rho-rho_expected= 0.000000004184 nargs= 1 argi=dmft2.def 15) Finished k-point number 16 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 68) Finished k-point number 69 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 44) Finished k-point number 45 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 28) Finished k-point number 29 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 102) Finished k-point number 103 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 49) Finished k-point number 50 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 80) Finished k-point number 81 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 88) Finished k-point number 89 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 58) Finished k-point number 59 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 89) Finished k-point number 90 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 91) Finished k-point number 92 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933144152290098 0.929981387626095 67) Finished k-point number 68 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 72) Finished k-point number 73 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 39) Finished k-point number 40 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 26 80) Finished k-point number 81 1 with #bands= 20 8) Finished k-point number 9 1 with #bands= 26 40) Finished k-point number 41 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 65) Finished k-point number 66 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 76) Finished k-point number 77 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1522919007767 Density= 16.0007382250723 16.0000000000000 EF 12.8801780686631 Density= 15.3670440201322 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96667571 0.94667571 0.738225E-03 -0.632956 1 0.96665241 0.94667571 0.885162E-04 -0.632956 2 0.96664924 0.96665241 -0.555064E-09 0.885162E-04 3 0.96664924 0.96664924 0.223394E-08 -0.555064E-09 4 0.96664924 0.96664924 0.223394E-08 -0.555064E-09 Absolute convergence of the X interval. Difference in EF= -0.0003601809 EF set to : 13.1519317198 new EF (no-mixing): 13.1519317198 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001230 tlogG= -0.001263 logG= -0.002493 Density= 0.018860 ETOT(band)= 0.000977 trlgG= -0.001802 logG= -0.002493 TDE= -0.017540 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009820 tlogG= -0.009640 logG= -0.019460 Density= 0.150774 ETOT(band)= 0.008072 trlgG= -0.013691 logG= -0.019460 TDE= -0.139977 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002453 tlogG= -0.002431 logG= -0.004885 Density= 0.037667 ETOT(band)= 0.002047 trlgG= -0.003417 logG= -0.004885 TDE= -0.034943 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004906 tlogG= -0.004675 logG= -0.009581 Density= 0.075362 ETOT(band)= 0.004117 trlgG= -0.006618 logG= -0.009581 TDE= -0.069886 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002458 tlogG= -0.002110 logG= -0.004568 Density= 0.037213 ETOT(band)= 0.002078 trlgG= -0.003125 logG= -0.004568 TDE= -0.034529 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009843 tlogG= -0.008181 logG= -0.018024 Density= 0.149656 ETOT(band)= 0.008475 trlgG= -0.012002 logG= -0.018024 TDE= -0.138644 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001602 tlogG= -0.001319 logG= -0.002921 Density= 0.022664 ETOT(band)= -0.000468 trlgG= -0.003727 logG= -0.002921 TDE= -0.022713 logGD-logG0= -0.009848 tlogG= -0.008785 logG= -0.018633 Density= 0.149802 ETOT(band)= 0.008498 trlgG= -0.012594 logG= -0.018633 TDE= -0.138768 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009843 tlogG= -0.006813 logG= -0.016656 Density= 0.145367 ETOT(band)= 0.005366 trlgG= -0.013720 logG= -0.016656 TDE= -0.137582 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004925 tlogG= -0.004253 logG= -0.009178 Density= 0.074999 ETOT(band)= 0.004129 trlgG= -0.006275 logG= -0.009178 TDE= -0.069595 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009817 tlogG= -0.007924 logG= -0.017741 Density= 0.149159 ETOT(band)= 0.009029 trlgG= -0.011157 logG= -0.017741 TDE= -0.137601 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009856 tlogG= -0.008917 logG= -0.018772 Density= 0.150266 ETOT(band)= 0.008504 trlgG= -0.012675 logG= -0.018772 TDE= -0.139158 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019652 tlogG= -0.015027 logG= -0.034679 Density= 0.298091 ETOT(band)= 0.017580 trlgG= -0.021892 logG= -0.034679 TDE= -0.275362 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019685 tlogG= -0.016140 logG= -0.035824 Density= 0.299443 ETOT(band)= 0.016850 trlgG= -0.023881 logG= -0.035824 TDE= -0.277513 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009846 tlogG= -0.006769 logG= -0.016614 Density= 0.147361 ETOT(band)= 0.007435 trlgG= -0.011623 logG= -0.016614 TDE= -0.137456 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003199 tlogG= -0.002534 logG= -0.005734 Density= 0.045139 ETOT(band)= -0.000948 trlgG= -0.007401 logG= -0.005734 TDE= -0.045300 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009606 tlogG= -0.007479 logG= -0.017084 Density= 0.136102 ETOT(band)= -0.002451 trlgG= -0.021699 logG= -0.017084 TDE= -0.136177 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003153 tlogG= -0.002615 logG= -0.005768 Density= 0.045698 ETOT(band)= 0.000018 trlgG= -0.006319 logG= -0.005768 TDE= -0.044725 logGD-logG0= -0.003181 tlogG= -0.002561 logG= -0.005742 Density= 0.045396 ETOT(band)= -0.000518 trlgG= -0.006906 logG= -0.005742 TDE= -0.045046 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009599 tlogG= -0.007395 logG= -0.016994 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.135958 ETOT(band)= -0.002408 trlgG= -0.021585 logG= -0.016994 TDE= -0.136015 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009584 tlogG= -0.007324 logG= -0.016909 Density= 0.136012 ETOT(band)= -0.002010 trlgG= -0.021075 logG= -0.016909 TDE= -0.135642 logGD-logG0= -0.009527 tlogG= -0.007395 logG= -0.016922 Density= 0.136749 ETOT(band)= -0.000644 trlgG= -0.019485 logG= -0.016922 TDE= -0.134751 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009615 tlogG= -0.006699 logG= -0.016313 Density= 0.137436 ETOT(band)= -0.000854 trlgG= -0.019413 logG= -0.016313 TDE= -0.135952 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009906 tlogG= -0.007271 logG= -0.017177 Density= 0.147523 ETOT(band)= 0.007952 trlgG= -0.011686 logG= -0.017177 TDE= -0.137112 logGD-logG0= -0.009562 tlogG= -0.007356 logG= -0.016918 Density= 0.136260 ETOT(band)= -0.001588 trlgG= -0.020579 logG= -0.016918 TDE= -0.135377 logGD-logG0= -0.009851 tlogG= -0.007686 logG= -0.017537 logGD-logG0= -0.009711 tlogG= -0.006417 logG= -0.016128 Density= 0.140403 ETOT(band)= 0.002346 trlgG= -0.016062 logG= -0.016128 TDE= -0.135654 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.148520 ETOT(band)= 0.009213 trlgG= -0.010779 logG= -0.017537 TDE= -0.136809 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009915 tlogG= -0.006569 logG= -0.016484 Density= 0.143514 ETOT(band)= 0.004181 trlgG= -0.014596 logG= -0.016484 TDE= -0.136839 logGD-logG0= -0.009585 tlogG= -0.006566 logG= -0.016151 Density= 0.137158 ETOT(band)= -0.000637 trlgG= -0.018991 logG= -0.016151 TDE= -0.135423 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009670 tlogG= -0.005983 logG= -0.015653 Density= 0.137875 ETOT(band)= -0.000308 trlgG= -0.018191 logG= -0.015653 TDE= -0.135814 logGD-logG0= -0.009621 tlogG= -0.006666 logG= -0.016287 Density= 0.137386 ETOT(band)= -0.000825 trlgG= -0.019390 logG= -0.016287 TDE= -0.135906 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004856 tlogG= -0.003108 logG= -0.007964 Density= 0.067269 ETOT(band)= -0.002109 trlgG= -0.011140 logG= -0.007964 TDE= -0.068203 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009604 tlogG= -0.006881 logG= -0.016484 Density= 0.138048 ETOT(band)= 0.000123 trlgG= -0.018396 logG= -0.016484 TDE= -0.135355 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009551 tlogG= -0.006870 logG= -0.016421 Density= 0.138696 ETOT(band)= 0.001486 trlgG= -0.017105 logG= -0.016421 TDE= -0.134754 logGD-logG0= -0.009698 tlogG= -0.005650 logG= -0.015348 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.133395 ETOT(band)= -0.004558 trlgG= -0.021945 logG= -0.015348 TDE= -0.135542 logGD-logG0= -0.009801 tlogG= -0.006653 logG= -0.016454 Density= 0.144016 ETOT(band)= 0.006154 trlgG= -0.012556 logG= -0.016454 TDE= -0.135315 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004859 tlogG= -0.002590 logG= -0.007449 Density= 0.065677 ETOT(band)= -0.002929 trlgG= -0.011378 logG= -0.007449 TDE= -0.067416 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009606 tlogG= -0.006893 logG= -0.016499 Density= 0.136980 ETOT(band)= -0.001376 trlgG= -0.020142 logG= -0.016499 TDE= -0.136054 logGD-logG0= -0.009649 tlogG= -0.005663 logG= -0.015313 logGD-logG0= -0.009685 tlogG= -0.006187 logG= -0.015871 Density= 0.138504 ETOT(band)= 0.000283 trlgG= -0.017761 logG= -0.015871 TDE= -0.135774 Density= 0.136758 ETOT(band)= -0.000880 trlgG= -0.018455 logG= -0.015313 TDE= -0.135339 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009716 tlogG= -0.006045 logG= -0.015762 Density= 0.135416 ETOT(band)= -0.003015 trlgG= -0.020911 logG= -0.015762 TDE= -0.136049 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009919 tlogG= -0.006638 logG= -0.016557 Density= 0.144727 ETOT(band)= 0.004864 trlgG= -0.014101 logG= -0.016557 TDE= -0.137444 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019336 tlogG= -0.012218 logG= -0.031554 Density= 0.277948 ETOT(band)= 0.001505 trlgG= -0.034622 logG= -0.031554 TDE= -0.271746 logGD-logG0= -0.019232 tlogG= -0.012473 logG= -0.031705 Density= 0.278624 ETOT(band)= 0.003898 trlgG= -0.032485 logG= -0.031705 TDE= -0.270111 logGD-logG0= -0.019316 tlogG= -0.012064 logG= -0.031380 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.277580 ETOT(band)= 0.001438 trlgG= -0.034487 logG= -0.031380 TDE= -0.271429 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019201 tlogG= -0.013786 logG= -0.032986 logGD-logG0= -0.019863 tlogG= -0.012920 logG= -0.032783 Density= 0.274126 ETOT(band)= -0.002131 trlgG= -0.039526 logG= -0.032986 TDE= -0.271523 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.287895 ETOT(band)= 0.008721 trlgG= -0.028771 logG= -0.032783 TDE= -0.274281 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019413 tlogG= -0.010927 logG= -0.030341 Density= 0.271724 ETOT(band)= -0.004021 trlgG= -0.038833 logG= -0.030341 TDE= -0.271154 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019465 tlogG= -0.010256 logG= -0.029721 Density= 0.266478 ETOT(band)= -0.008174 trlgG= -0.042208 logG= -0.029721 TDE= -0.270078 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019439 tlogG= -0.011544 logG= -0.030983 Density= 0.275470 ETOT(band)= -0.000978 trlgG= -0.036337 logG= -0.030983 TDE= -0.271637 logGD-logG0= -0.019129 tlogG= -0.013833 logG= -0.032962 Density= 0.274806 ETOT(band)= -0.000298 trlgG= -0.037303 logG= -0.032962 TDE= -0.269981 logGD-logG0= -0.019596 tlogG= -0.012186 logG= -0.031782 Density= 0.282443 ETOT(band)= 0.005585 trlgG= -0.030805 logG= -0.031782 TDE= -0.272047 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019529 tlogG= -0.010591 logG= -0.030120 Density= 0.279836 ETOT(band)= 0.004109 trlgG= -0.030492 logG= -0.030120 TDE= -0.270875 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004948 tlogG= -0.003637 logG= -0.008585 Density= 0.074556 ETOT(band)= 0.004256 trlgG= -0.005535 logG= -0.008585 TDE= -0.069020 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019305 tlogG= -0.012367 logG= -0.031672 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.277648 ETOT(band)= 0.001785 trlgG= -0.034288 logG= -0.031672 TDE= -0.271004 logGD-logG0= -0.019833 tlogG= -0.013014 logG= -0.032847 Density= 0.290871 ETOT(band)= 0.013915 trlgG= -0.023535 logG= -0.032847 TDE= -0.271859 logGD-logG0= -0.019228 tlogG= -0.011750 logG= -0.030978 Density= 0.276091 ETOT(band)= 0.001271 trlgG= -0.034111 logG= -0.030978 TDE= -0.270017 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009821 tlogG= -0.004861 logG= -0.014682 Density= 0.132702 ETOT(band)= -0.004644 trlgG= -0.021676 logG= -0.014682 TDE= -0.135271 logGD-logG0= -0.009719 tlogG= -0.005477 logG= -0.015195 Density= 0.132931 ETOT(band)= -0.004974 trlgG= -0.022160 logG= -0.015195 TDE= -0.135462 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019442 tlogG= -0.010670 logG= -0.030112 Density= 0.277226 ETOT(band)= 0.002464 trlgG= -0.032548 logG= -0.030112 TDE= -0.270416 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019461 tlogG= -0.011733 logG= -0.031194 logGD-logG0= -0.019496 tlogG= -0.010682 logG= -0.030178 Density= 0.272888 ETOT(band)= -0.003481 trlgG= -0.037973 logG= -0.030178 TDE= -0.271582 Density= 0.269130 ETOT(band)= -0.007752 trlgG= -0.043224 logG= -0.031194 TDE= -0.272184 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019634 tlogG= -0.011250 logG= -0.030884 Density= 0.279846 ETOT(band)= 0.003101 trlgG= -0.032400 logG= -0.030884 TDE= -0.272029 logGD-logG0= -0.019716 tlogG= -0.012001 logG= -0.031717 Density= 0.281713 ETOT(band)= 0.003579 trlgG= -0.032702 logG= -0.031717 TDE= -0.273303 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009798 tlogG= -0.005269 logG= -0.015067 Density= 0.140716 ETOT(band)= 0.002567 trlgG= -0.014783 logG= -0.015067 TDE= -0.135738 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009924 tlogG= -0.006109 logG= -0.016033 Density= 0.144976 ETOT(band)= 0.006273 trlgG= -0.012080 logG= -0.016033 TDE= -0.136188 logGD-logG0= -0.019518 tlogG= -0.010157 logG= -0.029675 Density= 0.269079 ETOT(band)= -0.006473 trlgG= -0.040440 logG= -0.029675 TDE= -0.270870 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009739 tlogG= -0.005313 logG= -0.015051 Density= 0.136905 ETOT(band)= -0.001217 trlgG= -0.018479 logG= -0.015051 TDE= -0.135767 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009716 tlogG= -0.005173 logG= -0.014889 Density= 0.136139 ETOT(band)= -0.001848 trlgG= -0.018804 logG= -0.014889 TDE= -0.135514 logGD-logG0= -0.009729 tlogG= -0.005521 logG= -0.015250 Density= 0.135522 ETOT(band)= -0.002750 trlgG= -0.020027 logG= -0.015250 TDE= -0.135779 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004870 tlogG= -0.002680 logG= -0.007550 Density= 0.068479 ETOT(band)= -0.000639 trlgG= -0.009280 logG= -0.007550 TDE= -0.067925 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000393 tlogG= 0.008694 logG= 0.008301 Density= 0.005692 ETOT(band)= -0.000011 trlgG= 0.008213 logG= 0.008301 TDE= -0.005590 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.002473 tlogG= -0.001902 logG= -0.004374 Density= 0.036998 ETOT(band)= 0.002367 trlgG= -0.002593 logG= -0.004374 TDE= -0.033983 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002370 tlogG= -0.002357 logG= -0.004728 Density= 0.034798 ETOT(band)= 0.000566 trlgG= -0.004651 logG= -0.004728 TDE= -0.033560 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009525 tlogG= -0.007793 logG= -0.017318 Density= 0.138137 ETOT(band)= 0.001290 trlgG= -0.017902 logG= -0.017318 TDE= -0.134113 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009573 tlogG= -0.007438 logG= -0.017010 Density= 0.137007 ETOT(band)= -0.000082 trlgG= -0.018968 logG= -0.017010 TDE= -0.134396 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002422 tlogG= -0.001990 logG= -0.004411 Density= 0.035870 ETOT(band)= 0.001545 trlgG= -0.003402 logG= -0.004411 TDE= -0.033664 logGD-logG0= -0.009593 tlogG= -0.007395 logG= -0.016988 Density= 0.140976 ETOT(band)= 0.004064 trlgG= -0.015126 logG= -0.016988 TDE= -0.134413 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009849 tlogG= -0.007269 logG= -0.017118 Density= 0.145354 ETOT(band)= 0.007730 trlgG= -0.011577 logG= -0.017118 TDE= -0.134965 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004754 tlogG= -0.004050 logG= -0.008804 Density= 0.069801 ETOT(band)= 0.001427 trlgG= -0.008376 logG= -0.008804 TDE= -0.067046 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009540 tlogG= -0.008496 logG= -0.018036 Density= 0.140762 ETOT(band)= 0.003784 trlgG= -0.016318 logG= -0.018036 TDE= -0.134350 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009574 tlogG= -0.006941 logG= -0.016515 Density= 0.139040 ETOT(band)= 0.002454 trlgG= -0.016221 logG= -0.016515 TDE= -0.134110 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009728 tlogG= -0.005367 logG= -0.015095 Density= 0.134606 ETOT(band)= -0.002187 trlgG= -0.019498 logG= -0.015095 TDE= -0.134520 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009508 tlogG= -0.008026 logG= -0.017534 Density= 0.138428 ETOT(band)= 0.001692 trlgG= -0.017722 logG= -0.017534 TDE= -0.133999 logGD-logG0= -0.009627 tlogG= -0.006395 logG= -0.016022 Density= 0.136906 ETOT(band)= 0.000019 trlgG= -0.018154 logG= -0.016022 TDE= -0.134472 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019055 tlogG= -0.015881 logG= -0.034936 Density= 0.279984 ETOT(band)= 0.006346 trlgG= -0.032698 logG= -0.034936 TDE= -0.268408 logGD-logG0= -0.019416 tlogG= -0.013383 logG= -0.032799 Density= 0.285295 ETOT(band)= 0.010983 trlgG= -0.026520 logG= -0.032799 TDE= -0.269500 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004842 tlogG= -0.002853 logG= -0.007696 Density= 0.068599 ETOT(band)= 0.000411 trlgG= -0.008478 logG= -0.007696 TDE= -0.067093 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009801 tlogG= -0.004992 logG= -0.014793 Density= 0.132274 ETOT(band)= -0.004349 trlgG= -0.021513 logG= -0.014793 TDE= -0.134582 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019162 tlogG= -0.014072 logG= -0.033234 Density= 0.276790 ETOT(band)= 0.003162 trlgG= -0.034309 logG= -0.033234 TDE= -0.268633 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009932 tlogG= -0.006859 logG= -0.016791 Density= 0.146204 ETOT(band)= 0.008180 trlgG= -0.010960 logG= -0.016791 TDE= -0.135497 logGD-logG0= -0.009472 tlogG= -0.009098 logG= -0.018570 Density= 0.139298 ETOT(band)= 0.002392 trlgG= -0.018098 logG= -0.018570 TDE= -0.134179 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009644 tlogG= -0.007604 logG= -0.017248 Density= 0.142663 ETOT(band)= 0.005565 trlgG= -0.013873 logG= -0.017248 TDE= -0.134531 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009813 tlogG= -0.005770 logG= -0.015583 Density= 0.142348 ETOT(band)= 0.005130 trlgG= -0.012980 logG= -0.015583 TDE= -0.134997 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009611 tlogG= -0.006734 logG= -0.016345 Density= 0.140770 ETOT(band)= 0.004107 trlgG= -0.014551 logG= -0.016345 TDE= -0.134282 logGD-logG0= -0.019319 tlogG= -0.011808 logG= -0.031127 Density= 0.276806 ETOT(band)= 0.003451 trlgG= -0.032465 logG= -0.031127 TDE= -0.268912 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003150 tlogG= 0.069680 logG= 0.066530 Density= 0.045663 ETOT(band)= 0.000052 trlgG= 0.065956 logG= 0.066530 TDE= -0.044714 logGD-logG0= -0.003158 tlogG= 0.069960 logG= 0.066802 Density= 0.046049 ETOT(band)= 0.000409 trlgG= 0.066617 logG= 0.066802 TDE= -0.044698 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003176 tlogG= 0.070357 logG= 0.067181 Density= 0.046132 ETOT(band)= 0.000521 trlgG= 0.067109 logG= 0.067181 TDE= -0.044665 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002362 tlogG= 0.052278 logG= 0.049916 Density= 0.034316 ETOT(band)= 0.000095 trlgG= 0.049550 logG= 0.049916 TDE= -0.033538 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009523 tlogG= 0.210949 logG= 0.201426 Density= 0.139076 ETOT(band)= 0.002205 trlgG= 0.201741 logG= 0.201426 TDE= -0.134123 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004726 tlogG= 0.104766 logG= 0.100040 Density= 0.068899 ETOT(band)= 0.000447 trlgG= 0.099579 logG= 0.100040 TDE= -0.067063 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009468 tlogG= 0.209893 logG= 0.200425 Density= 0.138127 ETOT(band)= 0.001268 trlgG= 0.199826 logG= 0.200425 TDE= -0.134119 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009502 tlogG= 0.210591 logG= 0.201089 Density= 0.138689 ETOT(band)= 0.001853 trlgG= 0.201080 logG= 0.201089 TDE= -0.134073 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.76496433516258 eV TrLogG= -11.8837350756723 eV Ratio to renormalize= 0.999999999598 rho-rho_expected= 0.000000006437 nargs= 1 argi=dmft2.def 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 69) Finished k-point number 70 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 30) Finished k-point number 31 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 62) Finished k-point number 63 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 60) Finished k-point number 61 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 93) Finished k-point number 94 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 91) Finished k-point number 92 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933128375938728 0.930008241373641 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 75) Finished k-point number 76 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 25) Finished k-point number 26 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1519317198308 Density= 16.0006674366754 16.0000000000000 EF 12.8798178877173 Density= 15.3670708876302 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96664924 0.94664924 0.667437E-03 -0.632929 1 0.96662817 0.94664924 0.800682E-04 -0.632929 2 0.96662530 0.96662817 -0.452728E-09 0.800682E-04 3 0.96662530 0.96662530 0.233562E-08 -0.452728E-09 4 0.96662530 0.96662530 0.233562E-08 -0.452728E-09 Absolute convergence of the X interval. Difference in EF= -0.0003257159 EF set to : 13.1516060040 new EF (no-mixing): 13.1516060040 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001230 tlogG= -0.001263 logG= -0.002493 Density= 0.018860 ETOT(band)= 0.000977 trlgG= -0.001802 logG= -0.002493 TDE= -0.017540 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009820 tlogG= -0.009640 logG= -0.019460 Density= 0.150776 ETOT(band)= 0.008071 trlgG= -0.013691 logG= -0.019460 TDE= -0.139976 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002453 tlogG= -0.002431 logG= -0.004885 Density= 0.037668 ETOT(band)= 0.002047 trlgG= -0.003417 logG= -0.004885 TDE= -0.034943 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004906 tlogG= -0.004675 logG= -0.009581 Density= 0.075363 ETOT(band)= 0.004117 trlgG= -0.006618 logG= -0.009581 TDE= -0.069885 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002458 tlogG= -0.002110 logG= -0.004568 Density= 0.037214 ETOT(band)= 0.002078 trlgG= -0.003125 logG= -0.004568 TDE= -0.034529 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001602 tlogG= -0.001319 logG= -0.002921 Density= 0.022664 ETOT(band)= -0.000469 trlgG= -0.003727 logG= -0.002921 TDE= -0.022713 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009843 tlogG= -0.008180 logG= -0.018023 Density= 0.149659 ETOT(band)= 0.008474 trlgG= -0.012002 logG= -0.018023 TDE= -0.138643 logGD-logG0= -0.009843 tlogG= -0.006814 logG= -0.016657 Density= 0.145367 ETOT(band)= 0.005363 trlgG= -0.013722 logG= -0.016657 TDE= -0.137581 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004924 tlogG= -0.004253 logG= -0.009177 logGD-logG0= -0.009847 tlogG= -0.008785 logG= -0.018632 Density= 0.149805 ETOT(band)= 0.008497 trlgG= -0.012594 logG= -0.018632 TDE= -0.138767 Density= 0.075000 ETOT(band)= 0.004128 trlgG= -0.006276 logG= -0.009177 TDE= -0.069595 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009856 tlogG= -0.008917 logG= -0.018772 Density= 0.150269 ETOT(band)= 0.008504 trlgG= -0.012675 logG= -0.018772 TDE= -0.139157 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019651 tlogG= -0.015026 logG= -0.034677 Density= 0.298094 ETOT(band)= 0.017576 trlgG= -0.021893 logG= -0.034677 TDE= -0.275361 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009817 tlogG= -0.007924 logG= -0.017741 Density= 0.149163 ETOT(band)= 0.009029 trlgG= -0.011157 logG= -0.017741 TDE= -0.137601 logGD-logG0= -0.019685 tlogG= -0.016140 logG= -0.035825 Density= 0.299449 ETOT(band)= 0.016850 trlgG= -0.023881 logG= -0.035825 TDE= -0.277512 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009846 tlogG= -0.006769 logG= -0.016614 Density= 0.147364 ETOT(band)= 0.007434 trlgG= -0.011624 logG= -0.016614 TDE= -0.137455 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003199 tlogG= -0.002534 logG= -0.005733 Density= 0.045139 ETOT(band)= -0.000949 trlgG= -0.007401 logG= -0.005733 TDE= -0.045300 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003153 tlogG= -0.002616 logG= -0.005769 Density= 0.045698 ETOT(band)= 0.000017 trlgG= -0.006321 logG= -0.005769 TDE= -0.044725 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003181 tlogG= -0.002562 logG= -0.005743 Density= 0.045396 ETOT(band)= -0.000519 trlgG= -0.006907 logG= -0.005743 TDE= -0.045046 logGD-logG0= -0.009599 tlogG= -0.007396 logG= -0.016995 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.135960 ETOT(band)= -0.002409 trlgG= -0.021587 logG= -0.016995 TDE= -0.136015 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009606 tlogG= -0.007479 logG= -0.017085 Density= 0.136103 ETOT(band)= -0.002453 trlgG= -0.021701 logG= -0.017085 TDE= -0.136177 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009584 tlogG= -0.007325 logG= -0.016909 Density= 0.136013 ETOT(band)= -0.002012 trlgG= -0.021077 logG= -0.016909 TDE= -0.135642 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009563 tlogG= -0.007356 logG= -0.016919 Density= 0.136262 ETOT(band)= -0.001589 trlgG= -0.020582 logG= -0.016919 TDE= -0.135377 logGD-logG0= -0.009614 tlogG= -0.006699 logG= -0.016313 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137435 ETOT(band)= -0.000858 trlgG= -0.019416 logG= -0.016313 TDE= -0.135952 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009914 tlogG= -0.006567 logG= -0.016482 Density= 0.143512 ETOT(band)= 0.004176 trlgG= -0.014598 logG= -0.016482 TDE= -0.136838 logGD-logG0= -0.009586 tlogG= -0.006567 logG= -0.016152 Density= 0.137159 ETOT(band)= -0.000639 trlgG= -0.018994 logG= -0.016152 TDE= -0.135423 logGD-logG0= -0.009906 tlogG= -0.007271 logG= -0.017178 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.147528 ETOT(band)= 0.007953 trlgG= -0.011685 logG= -0.017178 TDE= -0.137112 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009711 tlogG= -0.006417 logG= -0.016128 Density= 0.140402 ETOT(band)= 0.002342 trlgG= -0.016066 logG= -0.016128 TDE= -0.135654 logGD-logG0= -0.009851 tlogG= -0.007687 logG= -0.017538 Density= 0.148524 ETOT(band)= 0.009214 trlgG= -0.010779 logG= -0.017538 TDE= -0.136808 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009604 tlogG= -0.006882 logG= -0.016486 Density= 0.138048 ETOT(band)= 0.000120 trlgG= -0.018400 logG= -0.016486 TDE= -0.135355 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009685 tlogG= -0.006187 logG= -0.015871 Density= 0.138504 ETOT(band)= 0.000280 trlgG= -0.017764 logG= -0.015871 TDE= -0.135774 logGD-logG0= -0.009670 tlogG= -0.005984 logG= -0.015654 Density= 0.137875 ETOT(band)= -0.000312 trlgG= -0.018194 logG= -0.015654 TDE= -0.135814 logGD-logG0= -0.009622 tlogG= -0.006668 logG= -0.016290 logGD-logG0= -0.004857 tlogG= -0.003108 logG= -0.007965 Density= 0.137385 ETOT(band)= -0.000828 trlgG= -0.019396 logG= -0.016290 TDE= -0.135906 Density= 0.067271 ETOT(band)= -0.002108 trlgG= -0.011141 logG= -0.007965 TDE= -0.068202 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009527 tlogG= -0.007397 logG= -0.016924 Density= 0.136750 ETOT(band)= -0.000647 trlgG= -0.019489 logG= -0.016924 TDE= -0.134751 logGD-logG0= -0.004858 tlogG= -0.002589 logG= -0.007447 Density= 0.065665 ETOT(band)= -0.002943 trlgG= -0.011389 logG= -0.007447 TDE= -0.067416 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009716 tlogG= -0.006047 logG= -0.015763 Density= 0.135417 ETOT(band)= -0.003018 trlgG= -0.020914 logG= -0.015763 TDE= -0.136049 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009698 tlogG= -0.005651 logG= -0.015349 Density= 0.133394 ETOT(band)= -0.004561 trlgG= -0.021949 logG= -0.015349 TDE= -0.135542 logGD-logG0= -0.009801 tlogG= -0.006654 logG= -0.016455 Density= 0.144014 ETOT(band)= 0.006149 trlgG= -0.012562 logG= -0.016455 TDE= -0.135314 logGD-logG0= -0.009606 tlogG= -0.006892 logG= -0.016498 Density= 0.136981 ETOT(band)= -0.001378 trlgG= -0.020142 logG= -0.016498 TDE= -0.136053 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009649 tlogG= -0.005663 logG= -0.015312 Density= 0.136756 ETOT(band)= -0.000885 trlgG= -0.018458 logG= -0.015312 TDE= -0.135338 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009552 tlogG= -0.006870 logG= -0.016422 Density= 0.138697 ETOT(band)= 0.001484 trlgG= -0.017108 logG= -0.016422 TDE= -0.134754 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009919 tlogG= -0.006638 logG= -0.016557 Density= 0.144723 ETOT(band)= 0.004856 trlgG= -0.014108 logG= -0.016557 TDE= -0.137444 logGD-logG0= -0.019862 tlogG= -0.012919 logG= -0.032781 Density= 0.287875 ETOT(band)= 0.008694 trlgG= -0.028794 logG= -0.032781 TDE= -0.274280 logGD-logG0= -0.019336 tlogG= -0.012217 logG= -0.031553 Density= 0.277951 ETOT(band)= 0.001502 trlgG= -0.034624 logG= -0.031553 TDE= -0.271745 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019464 tlogG= -0.010258 logG= -0.029723 Density= 0.266482 ETOT(band)= -0.008177 trlgG= -0.042211 logG= -0.029723 TDE= -0.270077 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019199 tlogG= -0.013785 logG= -0.032984 Density= 0.274128 ETOT(band)= -0.002136 trlgG= -0.039527 logG= -0.032984 TDE= -0.271523 logGD-logG0= -0.019232 tlogG= -0.012473 logG= -0.031705 Density= 0.278624 ETOT(band)= 0.003892 trlgG= -0.032489 logG= -0.031705 TDE= -0.270110 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019317 tlogG= -0.012068 logG= -0.031385 Density= 0.277585 ETOT(band)= 0.001437 trlgG= -0.034492 logG= -0.031385 TDE= -0.271428 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019413 tlogG= -0.010925 logG= -0.030338 Density= 0.271719 ETOT(band)= -0.004033 trlgG= -0.038841 logG= -0.030338 TDE= -0.271153 logGD-logG0= -0.004948 tlogG= -0.003637 logG= -0.008585 Density= 0.074557 ETOT(band)= 0.004256 trlgG= -0.005535 logG= -0.008585 TDE= -0.069020 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019225 tlogG= -0.011750 logG= -0.030975 Density= 0.276081 ETOT(band)= 0.001253 trlgG= -0.034124 logG= -0.030975 TDE= -0.270016 logGD-logG0= -0.019438 tlogG= -0.011546 logG= -0.030984 logGD-logG0= -0.019594 tlogG= -0.012183 logG= -0.031777 Density= 0.282435 ETOT(band)= 0.005570 trlgG= -0.030814 logG= -0.031777 TDE= -0.272046 Density= 0.275471 ETOT(band)= -0.000985 trlgG= -0.036344 logG= -0.030984 TDE= -0.271637 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019833 tlogG= -0.013014 logG= -0.032847 Density= 0.290859 ETOT(band)= 0.013896 trlgG= -0.023553 logG= -0.032847 TDE= -0.271858 logGD-logG0= -0.009718 tlogG= -0.005475 logG= -0.015193 Density= 0.132934 ETOT(band)= -0.004974 trlgG= -0.022158 logG= -0.015193 TDE= -0.135462 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019305 tlogG= -0.012367 logG= -0.031672 Density= 0.277648 ETOT(band)= 0.001779 trlgG= -0.034293 logG= -0.031672 TDE= -0.271003 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019128 tlogG= -0.013834 logG= -0.032962 logGD-logG0= -0.000393 tlogG= 0.008694 logG= 0.008301 logGD-logG0= -0.019528 tlogG= -0.010590 logG= -0.030118 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.274808 ETOT(band)= -0.000303 trlgG= -0.037307 logG= -0.032962 TDE= -0.269981 logGD-logG0= -0.019461 tlogG= -0.011734 logG= -0.031195 Density= 0.269130 ETOT(band)= -0.007758 trlgG= -0.043230 logG= -0.031195 TDE= -0.272183 Density= 0.279833 ETOT(band)= 0.004098 trlgG= -0.030499 logG= -0.030118 TDE= -0.270874 Density= 0.005692 ETOT(band)= -0.000011 trlgG= 0.008213 logG= 0.008301 TDE= -0.005590 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019445 tlogG= -0.010676 logG= -0.030121 logGD-logG0= -0.009819 tlogG= -0.004859 logG= -0.014678 Density= 0.277247 ETOT(band)= 0.002480 trlgG= -0.032543 logG= -0.030121 TDE= -0.270415 logGD-logG0= -0.019716 tlogG= -0.012001 logG= -0.031717 Density= 0.281704 ETOT(band)= 0.003564 trlgG= -0.032716 logG= -0.031717 TDE= -0.273302 Density= 0.132690 ETOT(band)= -0.004660 trlgG= -0.021686 logG= -0.014678 TDE= -0.135270 logGD-logG0= -0.009799 tlogG= -0.005270 logG= -0.015070 Density= 0.140722 ETOT(band)= 0.002570 trlgG= -0.014782 logG= -0.015070 TDE= -0.135738 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019495 tlogG= -0.010679 logG= -0.030174 Density= 0.272878 ETOT(band)= -0.003497 trlgG= -0.037985 logG= -0.030174 TDE= -0.271581 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019633 tlogG= -0.011247 logG= -0.030881 Density= 0.279839 ETOT(band)= 0.003089 trlgG= -0.032409 logG= -0.030881 TDE= -0.272028 logGD-logG0= -0.019518 tlogG= -0.010156 logG= -0.029673 Density= 0.269065 ETOT(band)= -0.006494 trlgG= -0.040458 logG= -0.029673 TDE= -0.270870 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009715 tlogG= -0.005173 logG= -0.014888 Density= 0.136138 ETOT(band)= -0.001853 trlgG= -0.018807 logG= -0.014888 TDE= -0.135514 logGD-logG0= -0.009924 tlogG= -0.006109 logG= -0.016033 Density= 0.144976 ETOT(band)= 0.006270 trlgG= -0.012083 logG= -0.016033 TDE= -0.136187 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004870 tlogG= -0.002680 logG= -0.007550 Density= 0.068479 ETOT(band)= -0.000640 trlgG= -0.009281 logG= -0.007550 TDE= -0.067925 logGD-logG0= -0.009739 tlogG= -0.005313 logG= -0.015052 logGD-logG0= -0.009729 tlogG= -0.005522 logG= -0.015251 Density= 0.136905 ETOT(band)= -0.001220 trlgG= -0.018483 logG= -0.015052 TDE= -0.135767 Density= 0.135523 ETOT(band)= -0.002752 trlgG= -0.020029 logG= -0.015251 TDE= -0.135778 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002473 tlogG= -0.001902 logG= -0.004374 Density= 0.036999 ETOT(band)= 0.002366 trlgG= -0.002593 logG= -0.004374 TDE= -0.033983 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002370 tlogG= -0.002358 logG= -0.004728 Density= 0.034798 ETOT(band)= 0.000565 trlgG= -0.004651 logG= -0.004728 TDE= -0.033560 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009572 tlogG= -0.007437 logG= -0.017010 Density= 0.137008 ETOT(band)= -0.000084 trlgG= -0.018970 logG= -0.017010 TDE= -0.134395 logGD-logG0= -0.009526 tlogG= -0.007795 logG= -0.017320 Density= 0.138138 ETOT(band)= 0.001287 trlgG= -0.017906 logG= -0.017320 TDE= -0.134113 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002422 tlogG= -0.001990 logG= -0.004412 Density= 0.035870 ETOT(band)= 0.001544 trlgG= -0.003402 logG= -0.004412 TDE= -0.033664 logGD-logG0= -0.009593 tlogG= -0.007396 logG= -0.016988 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.140975 ETOT(band)= 0.004060 trlgG= -0.015131 logG= -0.016988 TDE= -0.134412 logGD-logG0= -0.009849 tlogG= -0.007269 logG= -0.017119 Density= 0.145354 ETOT(band)= 0.007726 trlgG= -0.011581 logG= -0.017119 TDE= -0.134965 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004753 tlogG= -0.004052 logG= -0.008805 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.069800 ETOT(band)= 0.001423 trlgG= -0.008380 logG= -0.008805 TDE= -0.067045 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009507 tlogG= -0.008026 logG= -0.017533 logGD-logG0= -0.009540 tlogG= -0.008497 logG= -0.018037 Density= 0.140762 ETOT(band)= 0.003780 trlgG= -0.016323 logG= -0.018037 TDE= -0.134349 Density= 0.138428 ETOT(band)= 0.001689 trlgG= -0.017723 logG= -0.017533 TDE= -0.133999 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009574 tlogG= -0.006943 logG= -0.016517 Density= 0.139040 ETOT(band)= 0.002450 trlgG= -0.016227 logG= -0.016517 TDE= -0.134109 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019055 tlogG= -0.015881 logG= -0.034936 Density= 0.279984 ETOT(band)= 0.006339 trlgG= -0.032704 logG= -0.034936 TDE= -0.268408 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009627 tlogG= -0.006396 logG= -0.016024 Density= 0.136908 ETOT(band)= 0.000018 trlgG= -0.018157 logG= -0.016024 TDE= -0.134472 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004842 tlogG= -0.002852 logG= -0.007694 Density= 0.068596 ETOT(band)= 0.000405 trlgG= -0.008481 logG= -0.007694 TDE= -0.067093 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009726 tlogG= -0.005370 logG= -0.015097 Density= 0.134630 ETOT(band)= -0.002167 trlgG= -0.019480 logG= -0.015097 TDE= -0.134520 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019415 tlogG= -0.013384 logG= -0.032799 Density= 0.285294 ETOT(band)= 0.010975 trlgG= -0.026526 logG= -0.032799 TDE= -0.269500 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009801 tlogG= -0.004992 logG= -0.014793 Density= 0.132268 ETOT(band)= -0.004359 trlgG= -0.021521 logG= -0.014793 TDE= -0.134582 logGD-logG0= -0.009472 tlogG= -0.009098 logG= -0.018571 Density= 0.139298 ETOT(band)= 0.002389 trlgG= -0.018101 logG= -0.018571 TDE= -0.134179 logGD-logG0= -0.019162 tlogG= -0.014067 logG= -0.033229 Density= 0.276792 ETOT(band)= 0.003158 trlgG= -0.034308 logG= -0.033229 TDE= -0.268633 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009932 tlogG= -0.006859 logG= -0.016791 Density= 0.146205 ETOT(band)= 0.008178 trlgG= -0.010961 logG= -0.016791 TDE= -0.135496 logGD-logG0= -0.009644 tlogG= -0.007604 logG= -0.017248 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.142663 ETOT(band)= 0.005561 trlgG= -0.013877 logG= -0.017248 TDE= -0.134530 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009613 tlogG= -0.006736 logG= -0.016349 Density= 0.140772 ETOT(band)= 0.004106 trlgG= -0.014557 logG= -0.016349 TDE= -0.134281 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009813 tlogG= -0.005771 logG= -0.015584 Density= 0.142347 ETOT(band)= 0.005125 trlgG= -0.012984 logG= -0.015584 TDE= -0.134996 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019325 tlogG= -0.011811 logG= -0.031136 Density= 0.276810 ETOT(band)= 0.003451 trlgG= -0.032476 logG= -0.031136 TDE= -0.268911 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003176 tlogG= 0.070355 logG= 0.067179 Density= 0.046132 ETOT(band)= 0.000520 trlgG= 0.067107 logG= 0.067179 TDE= -0.044665 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003158 tlogG= 0.069958 logG= 0.066800 Density= 0.046049 ETOT(band)= 0.000408 trlgG= 0.066615 logG= 0.066800 TDE= -0.044698 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003150 tlogG= 0.069677 logG= 0.066528 Density= 0.045663 ETOT(band)= 0.000052 trlgG= 0.065953 logG= 0.066528 TDE= -0.044714 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002362 tlogG= 0.052277 logG= 0.049915 Density= 0.034316 ETOT(band)= 0.000095 trlgG= 0.049548 logG= 0.049915 TDE= -0.033538 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009523 tlogG= 0.210943 logG= 0.201420 Density= 0.139076 ETOT(band)= 0.002203 trlgG= 0.201732 logG= 0.201420 TDE= -0.134122 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004726 tlogG= 0.104763 logG= 0.100037 Density= 0.068899 ETOT(band)= 0.000445 trlgG= 0.099574 logG= 0.100037 TDE= -0.067063 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009468 tlogG= 0.209887 logG= 0.200419 Density= 0.138128 ETOT(band)= 0.001265 trlgG= 0.199818 logG= 0.200419 TDE= -0.134119 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009502 tlogG= 0.210586 logG= 0.201083 Density= 0.138690 ETOT(band)= 0.001850 trlgG= 0.201072 logG= 0.201083 TDE= -0.134073 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.75978623608117 eV TrLogG= -11.8888897841090 eV Ratio to renormalize= 0.999999999591 rho-rho_expected= 0.000000006538 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 26 65) Finished k-point number 66 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 33) Finished k-point number 34 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 31) Finished k-point number 32 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 59) Finished k-point number 60 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 90) Finished k-point number 91 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 57) Finished k-point number 58 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 88) Finished k-point number 89 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933182485494070 0.929963621345947 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 40) Finished k-point number 41 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 79) Finished k-point number 80 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 26 65) Finished k-point number 66 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 24) Finished k-point number 25 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 58) Finished k-point number 59 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1516060039656 Density= 15.9999911297260 16.0000000000000 EF 13.4237198360792 Density= 16.5151158254065 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98662530 0.96662530 0.515116 -0.887027E-05 1 0.97662530 0.96662532 0.265975 -0.887027E-05 2 0.97162531 0.96662555 0.135917 -0.887028E-05 3 0.96912543 0.96662567 0.687934E-01 -0.887028E-05 4 0.96787555 0.96662537 0.346214E-01 -0.887028E-05 5 0.96725046 0.96662528 0.173653E-01 -0.887027E-05 6 0.96693787 0.96662533 0.869276E-02 -0.887028E-05 7 0.96678160 0.96662554 0.434605E-02 -0.887027E-05 8 0.96670357 0.96662567 0.217292E-02 -0.887028E-05 9 0.96666462 0.96662537 0.108747E-02 -0.887028E-05 10 0.96664499 0.96662552 0.540337E-03 -0.887028E-05 11 0.96663526 0.96662544 0.268843E-03 -0.887027E-05 12 0.96663035 0.96662524 0.132027E-03 -0.887028E-05 13 0.96662780 0.96662558 0.608206E-04 -0.887027E-05 14 0.96662669 0.96662541 0.299387E-04 -0.887028E-05 15 0.96662605 0.96662526 0.121367E-04 -0.887027E-05 16 0.96662566 0.96662557 0.109174E-05 -0.887027E-05 17 0.96662565 0.96662557 0.855117E-06 -0.887027E-05 18 0.96662562 0.96662557 0.742885E-07 -0.887027E-05 19 0.96662562 0.96662557 0.563005E-08 -0.887027E-05 20 0.96662562 0.96662557 0.406075E-10 -0.887027E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0000043278 EF set to : 13.1516103317 new EF (no-mixing): 13.1516103317 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001230 tlogG= -0.001263 logG= -0.002493 Density= 0.018860 ETOT(band)= 0.000977 trlgG= -0.001802 logG= -0.002493 TDE= -0.017540 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002453 tlogG= -0.002431 logG= -0.004884 Density= 0.037668 ETOT(band)= 0.002047 trlgG= -0.003417 logG= -0.004884 TDE= -0.034943 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009820 tlogG= -0.009640 logG= -0.019459 Density= 0.150776 ETOT(band)= 0.008072 trlgG= -0.013691 logG= -0.019459 TDE= -0.139976 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004906 tlogG= -0.004675 logG= -0.009580 Density= 0.075363 ETOT(band)= 0.004117 trlgG= -0.006618 logG= -0.009580 TDE= -0.069885 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.001602 tlogG= -0.001319 logG= -0.002921 Density= 0.022664 ETOT(band)= -0.000468 trlgG= -0.003727 logG= -0.002921 TDE= -0.022713 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009843 tlogG= -0.006813 logG= -0.016656 Density= 0.145373 ETOT(band)= 0.005368 trlgG= -0.013717 logG= -0.016656 TDE= -0.137581 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004924 tlogG= -0.004253 logG= -0.009177 Density= 0.074999 ETOT(band)= 0.004128 trlgG= -0.006276 logG= -0.009177 TDE= -0.069594 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009847 tlogG= -0.008785 logG= -0.018632 Density= 0.149805 ETOT(band)= 0.008498 trlgG= -0.012594 logG= -0.018632 TDE= -0.138767 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.002458 tlogG= -0.002110 logG= -0.004568 Density= 0.037214 ETOT(band)= 0.002078 trlgG= -0.003125 logG= -0.004568 TDE= -0.034529 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009843 tlogG= -0.008180 logG= -0.018023 Density= 0.149659 ETOT(band)= 0.008474 trlgG= -0.012002 logG= -0.018023 TDE= -0.138643 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019651 tlogG= -0.015027 logG= -0.034678 Density= 0.298097 ETOT(band)= 0.017579 trlgG= -0.021890 logG= -0.034678 TDE= -0.275361 logGD-logG0= -0.009817 tlogG= -0.007924 logG= -0.017741 Density= 0.149163 ETOT(band)= 0.009028 trlgG= -0.011157 logG= -0.017741 TDE= -0.137601 logGD-logG0= -0.009856 tlogG= -0.008916 logG= -0.018772 Density= 0.150269 ETOT(band)= 0.008504 trlgG= -0.012675 logG= -0.018772 TDE= -0.139157 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019684 tlogG= -0.016139 logG= -0.035823 Density= 0.299449 ETOT(band)= 0.016850 trlgG= -0.023879 logG= -0.035823 TDE= -0.277511 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009599 tlogG= -0.007395 logG= -0.016994 Density= 0.135960 ETOT(band)= -0.002409 trlgG= -0.021587 logG= -0.016994 TDE= -0.136015 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003199 tlogG= -0.002534 logG= -0.005733 Density= 0.045139 ETOT(band)= -0.000949 trlgG= -0.007401 logG= -0.005733 TDE= -0.045300 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003153 tlogG= -0.002615 logG= -0.005768 Density= 0.045698 ETOT(band)= 0.000017 trlgG= -0.006320 logG= -0.005768 TDE= -0.044725 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009606 tlogG= -0.007479 logG= -0.017085 Density= 0.136103 ETOT(band)= -0.002452 trlgG= -0.021701 logG= -0.017085 TDE= -0.136177 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003181 tlogG= -0.002561 logG= -0.005742 Density= 0.045396 ETOT(band)= -0.000519 trlgG= -0.006907 logG= -0.005742 TDE= -0.045046 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009585 tlogG= -0.007325 logG= -0.016910 Density= 0.136013 ETOT(band)= -0.002011 trlgG= -0.021078 logG= -0.016910 TDE= -0.135642 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009845 tlogG= -0.006768 logG= -0.016614 Density= 0.147364 ETOT(band)= 0.007433 trlgG= -0.011624 logG= -0.016614 TDE= -0.137455 logGD-logG0= -0.009527 tlogG= -0.007395 logG= -0.016922 Density= 0.136750 ETOT(band)= -0.000647 trlgG= -0.019487 logG= -0.016922 TDE= -0.134751 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009906 tlogG= -0.007272 logG= -0.017178 Density= 0.147528 ETOT(band)= 0.007954 trlgG= -0.011685 logG= -0.017178 TDE= -0.137112 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009585 tlogG= -0.006566 logG= -0.016151 Density= 0.137158 ETOT(band)= -0.000640 trlgG= -0.018993 logG= -0.016151 TDE= -0.135423 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009914 tlogG= -0.006569 logG= -0.016484 Density= 0.143511 ETOT(band)= 0.004176 trlgG= -0.014600 logG= -0.016484 TDE= -0.136838 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009712 tlogG= -0.006418 logG= -0.016129 Density= 0.140404 ETOT(band)= 0.002343 trlgG= -0.016066 logG= -0.016129 TDE= -0.135654 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009670 tlogG= -0.005983 logG= -0.015652 Density= 0.137876 ETOT(band)= -0.000311 trlgG= -0.018192 logG= -0.015652 TDE= -0.135814 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009621 tlogG= -0.006669 logG= -0.016290 Density= 0.137384 ETOT(band)= -0.000830 trlgG= -0.019397 logG= -0.016290 TDE= -0.135906 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004856 tlogG= -0.003108 logG= -0.007964 Density= 0.067270 ETOT(band)= -0.002110 trlgG= -0.011142 logG= -0.007964 TDE= -0.068202 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009717 tlogG= -0.006047 logG= -0.015764 Density= 0.135419 ETOT(band)= -0.003017 trlgG= -0.020914 logG= -0.015764 TDE= -0.136049 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004858 tlogG= -0.002588 logG= -0.007447 Density= 0.065664 ETOT(band)= -0.002944 trlgG= -0.011390 logG= -0.007447 TDE= -0.067416 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009697 tlogG= -0.005652 logG= -0.015349 Density= 0.133394 ETOT(band)= -0.004562 trlgG= -0.021949 logG= -0.015349 TDE= -0.135542 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009801 tlogG= -0.006653 logG= -0.016454 Density= 0.144011 ETOT(band)= 0.006146 trlgG= -0.012563 logG= -0.016454 TDE= -0.135314 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009606 tlogG= -0.006892 logG= -0.016498 Density= 0.136981 ETOT(band)= -0.001378 trlgG= -0.020142 logG= -0.016498 TDE= -0.136053 logGD-logG0= -0.019319 tlogG= -0.012071 logG= -0.031390 Density= 0.277582 ETOT(band)= 0.001435 trlgG= -0.034500 logG= -0.031390 TDE= -0.271428 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019335 tlogG= -0.012218 logG= -0.031553 Density= 0.277949 ETOT(band)= 0.001499 trlgG= -0.034626 logG= -0.031553 TDE= -0.271745 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009919 tlogG= -0.006638 logG= -0.016557 Density= 0.144727 ETOT(band)= 0.004861 trlgG= -0.014104 logG= -0.016557 TDE= -0.137443 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004948 tlogG= -0.003637 logG= -0.008585 Density= 0.074557 ETOT(band)= 0.004256 trlgG= -0.005535 logG= -0.008585 TDE= -0.069020 logGD-logG0= -0.019200 tlogG= -0.013782 logG= -0.032982 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019863 tlogG= -0.012918 logG= -0.032781 Density= 0.274130 ETOT(band)= -0.002134 trlgG= -0.039523 logG= -0.032982 TDE= -0.271522 Density= 0.287874 ETOT(band)= 0.008693 trlgG= -0.028794 logG= -0.032781 TDE= -0.274280 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000393 tlogG= 0.008694 logG= 0.008301 Density= 0.005692 ETOT(band)= -0.000011 trlgG= 0.008213 logG= 0.008301 TDE= -0.005590 logGD-logG0= -0.019438 tlogG= -0.011545 logG= -0.030984 logGD-logG0= -0.019413 tlogG= -0.010925 logG= -0.030338 Density= 0.275467 ETOT(band)= -0.000987 trlgG= -0.036347 logG= -0.030984 TDE= -0.271637 logGD-logG0= -0.019231 tlogG= -0.012469 logG= -0.031701 Density= 0.278620 ETOT(band)= 0.003888 trlgG= -0.032490 logG= -0.031701 TDE= -0.270110 Density= 0.271712 ETOT(band)= -0.004039 trlgG= -0.038847 logG= -0.030338 TDE= -0.271153 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019463 tlogG= -0.010256 logG= -0.029719 Density= 0.266483 ETOT(band)= -0.008177 trlgG= -0.042206 logG= -0.029719 TDE= -0.270077 logGD-logG0= -0.019305 tlogG= -0.012370 logG= -0.031675 Density= 0.277647 ETOT(band)= 0.001778 trlgG= -0.034298 logG= -0.031675 TDE= -0.271003 logGD-logG0= -0.019230 tlogG= -0.011752 logG= -0.030981 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.276091 ETOT(band)= 0.001265 trlgG= -0.034121 logG= -0.030981 TDE= -0.270016 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019529 tlogG= -0.010591 logG= -0.030120 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.279825 ETOT(band)= 0.004092 trlgG= -0.030507 logG= -0.030120 TDE= -0.270874 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019460 tlogG= -0.011732 logG= -0.031193 Density= 0.269129 ETOT(band)= -0.007759 trlgG= -0.043229 logG= -0.031193 TDE= -0.272183 logGD-logG0= -0.009818 tlogG= -0.004859 logG= -0.014677 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.132687 ETOT(band)= -0.004664 trlgG= -0.021689 logG= -0.014677 TDE= -0.135270 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009719 tlogG= -0.005480 logG= -0.015199 Density= 0.132940 ETOT(band)= -0.004968 trlgG= -0.022158 logG= -0.015199 TDE= -0.135462 logGD-logG0= -0.019633 tlogG= -0.011248 logG= -0.030881 Density= 0.279835 ETOT(band)= 0.003086 trlgG= -0.032413 logG= -0.030881 TDE= -0.272028 logGD-logG0= -0.019832 tlogG= -0.013012 logG= -0.032845 Density= 0.290871 ETOT(band)= 0.013909 trlgG= -0.023539 logG= -0.032845 TDE= -0.271858 logGD-logG0= -0.019716 tlogG= -0.012002 logG= -0.031718 Density= 0.281713 ETOT(band)= 0.003572 trlgG= -0.032710 logG= -0.031718 TDE= -0.273302 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019444 tlogG= -0.010672 logG= -0.030116 Density= 0.277215 ETOT(band)= 0.002448 trlgG= -0.032568 logG= -0.030116 TDE= -0.270415 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009798 tlogG= -0.005269 logG= -0.015067 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.140718 ETOT(band)= 0.002566 trlgG= -0.014783 logG= -0.015067 TDE= -0.135738 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009614 tlogG= -0.006699 logG= -0.016312 logGD-logG0= -0.019519 tlogG= -0.010157 logG= -0.029676 Density= 0.269075 ETOT(band)= -0.006483 trlgG= -0.040451 logG= -0.029676 TDE= -0.270870 Density= 0.137436 ETOT(band)= -0.000857 trlgG= -0.019415 logG= -0.016312 TDE= -0.135952 logGD-logG0= -0.019496 tlogG= -0.010681 logG= -0.030177 Density= 0.272887 ETOT(band)= -0.003488 trlgG= -0.037978 logG= -0.030177 TDE= -0.271581 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009730 tlogG= -0.005522 logG= -0.015252 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.135523 ETOT(band)= -0.002752 trlgG= -0.020030 logG= -0.015252 TDE= -0.135778 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004870 tlogG= -0.002680 logG= -0.007550 Density= 0.068479 ETOT(band)= -0.000640 trlgG= -0.009281 logG= -0.007550 TDE= -0.067925 logGD-logG0= -0.009604 tlogG= -0.006881 logG= -0.016485 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138049 ETOT(band)= 0.000120 trlgG= -0.018398 logG= -0.016485 TDE= -0.135355 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009739 tlogG= -0.005313 logG= -0.015051 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136905 ETOT(band)= -0.001220 trlgG= -0.018482 logG= -0.015051 TDE= -0.135767 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009715 tlogG= -0.005173 logG= -0.014888 Density= 0.136140 ETOT(band)= -0.001851 trlgG= -0.018805 logG= -0.014888 TDE= -0.135514 logGD-logG0= -0.009924 tlogG= -0.006109 logG= -0.016033 Density= 0.144976 ETOT(band)= 0.006270 trlgG= -0.012083 logG= -0.016033 TDE= -0.136187 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009851 tlogG= -0.007687 logG= -0.017538 Density= 0.148525 ETOT(band)= 0.009215 trlgG= -0.010777 logG= -0.017538 TDE= -0.136808 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009685 tlogG= -0.006187 logG= -0.015872 Density= 0.138504 ETOT(band)= 0.000281 trlgG= -0.017764 logG= -0.015872 TDE= -0.135774 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002473 tlogG= -0.001902 logG= -0.004374 Density= 0.036999 ETOT(band)= 0.002366 trlgG= -0.002593 logG= -0.004374 TDE= -0.033983 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019128 tlogG= -0.013830 logG= -0.032958 Density= 0.274808 ETOT(band)= -0.000303 trlgG= -0.037302 logG= -0.032958 TDE= -0.269981 logGD-logG0= -0.009507 tlogG= -0.008026 logG= -0.017533 Density= 0.138428 ETOT(band)= 0.001689 trlgG= -0.017723 logG= -0.017533 TDE= -0.133999 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002422 tlogG= -0.001990 logG= -0.004411 Density= 0.035870 ETOT(band)= 0.001544 trlgG= -0.003402 logG= -0.004411 TDE= -0.033664 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009573 tlogG= -0.007438 logG= -0.017010 Density= 0.137008 ETOT(band)= -0.000084 trlgG= -0.018970 logG= -0.017010 TDE= -0.134395 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004753 tlogG= -0.004049 logG= -0.008803 Density= 0.069801 ETOT(band)= 0.001425 trlgG= -0.008377 logG= -0.008803 TDE= -0.067045 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019596 tlogG= -0.012184 logG= -0.031780 Density= 0.282445 ETOT(band)= 0.005580 trlgG= -0.030808 logG= -0.031780 TDE= -0.272046 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009649 tlogG= -0.005663 logG= -0.015312 Density= 0.136756 ETOT(band)= -0.000886 trlgG= -0.018459 logG= -0.015312 TDE= -0.135338 logGD-logG0= -0.009627 tlogG= -0.006395 logG= -0.016022 Density= 0.136908 ETOT(band)= 0.000018 trlgG= -0.018155 logG= -0.016022 TDE= -0.134472 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009728 tlogG= -0.005370 logG= -0.015098 Density= 0.134623 ETOT(band)= -0.002173 trlgG= -0.019488 logG= -0.015098 TDE= -0.134520 logGD-logG0= -0.004843 tlogG= -0.002856 logG= -0.007699 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.068599 ETOT(band)= 0.000409 trlgG= -0.008483 logG= -0.007699 TDE= -0.067093 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009525 tlogG= -0.007794 logG= -0.017319 Density= 0.138138 ETOT(band)= 0.001288 trlgG= -0.017905 logG= -0.017319 TDE= -0.134113 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002370 tlogG= -0.002357 logG= -0.004728 Density= 0.034798 ETOT(band)= 0.000565 trlgG= -0.004651 logG= -0.004728 TDE= -0.033560 logGD-logG0= -0.009849 tlogG= -0.007270 logG= -0.017119 Density= 0.145352 ETOT(band)= 0.007725 trlgG= -0.011582 logG= -0.017119 TDE= -0.134965 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009552 tlogG= -0.006869 logG= -0.016421 Density= 0.138697 ETOT(band)= 0.001484 trlgG= -0.017107 logG= -0.016421 TDE= -0.134754 logGD-logG0= -0.019162 tlogG= -0.014072 logG= -0.033234 Density= 0.276792 ETOT(band)= 0.003158 trlgG= -0.034313 logG= -0.033234 TDE= -0.268632 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019416 tlogG= -0.013384 logG= -0.032800 Density= 0.285294 ETOT(band)= 0.010976 trlgG= -0.026526 logG= -0.032800 TDE= -0.269499 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019323 tlogG= -0.011810 logG= -0.031133 Density= 0.276805 ETOT(band)= 0.003446 trlgG= -0.032477 logG= -0.031133 TDE= -0.268911 logGD-logG0= -0.019054 tlogG= -0.015880 logG= -0.034934 Density= 0.279984 ETOT(band)= 0.006339 trlgG= -0.032702 logG= -0.034934 TDE= -0.268408 logGD-logG0= -0.009813 tlogG= -0.005770 logG= -0.015583 Density= 0.142346 ETOT(band)= 0.005125 trlgG= -0.012984 logG= -0.015583 TDE= -0.134996 logGD-logG0= -0.009801 tlogG= -0.004993 logG= -0.014794 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.132267 ETOT(band)= -0.004360 trlgG= -0.021524 logG= -0.014794 TDE= -0.134582 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009932 tlogG= -0.006859 logG= -0.016790 Density= 0.146205 ETOT(band)= 0.008178 trlgG= -0.010961 logG= -0.016790 TDE= -0.135496 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009563 tlogG= -0.007358 logG= -0.016921 Density= 0.136262 ETOT(band)= -0.001589 trlgG= -0.020583 logG= -0.016921 TDE= -0.135377 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009540 tlogG= -0.008496 logG= -0.018036 Density= 0.140762 ETOT(band)= 0.003781 trlgG= -0.016321 logG= -0.018036 TDE= -0.134349 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009472 tlogG= -0.009098 logG= -0.018570 Density= 0.139298 ETOT(band)= 0.002389 trlgG= -0.018100 logG= -0.018570 TDE= -0.134179 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009643 tlogG= -0.007604 logG= -0.017248 Density= 0.142663 ETOT(band)= 0.005561 trlgG= -0.013876 logG= -0.017248 TDE= -0.134530 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003177 tlogG= 0.070355 logG= 0.067179 Density= 0.046132 ETOT(band)= 0.000521 trlgG= 0.067106 logG= 0.067179 TDE= -0.044665 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003158 tlogG= 0.069958 logG= 0.066801 Density= 0.046049 ETOT(band)= 0.000408 trlgG= 0.066615 logG= 0.066801 TDE= -0.044698 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002362 tlogG= 0.052277 logG= 0.049915 Density= 0.034316 ETOT(band)= 0.000095 trlgG= 0.049548 logG= 0.049915 TDE= -0.033538 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009593 tlogG= -0.007395 logG= -0.016987 Density= 0.140976 ETOT(band)= 0.004061 trlgG= -0.015129 logG= -0.016987 TDE= -0.134412 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009523 tlogG= 0.210944 logG= 0.201420 Density= 0.139076 ETOT(band)= 0.002203 trlgG= 0.201733 logG= 0.201420 TDE= -0.134122 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003150 tlogG= 0.069678 logG= 0.066528 Density= 0.045663 ETOT(band)= 0.000052 trlgG= 0.065954 logG= 0.066528 TDE= -0.044714 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009468 tlogG= 0.209887 logG= 0.200420 Density= 0.138128 ETOT(band)= 0.001266 trlgG= 0.199819 logG= 0.200420 TDE= -0.134119 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009575 tlogG= -0.006941 logG= -0.016516 Density= 0.139041 ETOT(band)= 0.002452 trlgG= -0.016225 logG= -0.016516 TDE= -0.134109 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009613 tlogG= -0.006734 logG= -0.016347 Density= 0.140772 ETOT(band)= 0.004106 trlgG= -0.014554 logG= -0.016347 TDE= -0.134281 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009502 tlogG= 0.210587 logG= 0.201085 Density= 0.138690 ETOT(band)= 0.001850 trlgG= 0.201074 logG= 0.201085 TDE= -0.134073 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004726 tlogG= 0.104764 logG= 0.100038 Density= 0.068899 ETOT(band)= 0.000445 trlgG= 0.099576 logG= 0.100038 TDE= -0.067063 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.76000446098531 eV TrLogG= -11.8886018054622 eV Ratio to renormalize= 0.999999999735 rho-rho_expected= 0.000000004243 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 23) Finished k-point number 24 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 28) Finished k-point number 29 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 73) Finished k-point number 74 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 57) Finished k-point number 58 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 59) Finished k-point number 60 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 81) Finished k-point number 82 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 90) Finished k-point number 91 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933190990312395 0.930000093142038 7) Finished k-point number 8 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 25) Finished k-point number 26 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 26) Finished k-point number 27 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 18) Finished k-point number 19 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 30) Finished k-point number 31 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 31) Finished k-point number 32 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 20) Finished k-point number 21 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 67) Finished k-point number 68 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1516103317290 Density= 15.9997613345714 16.0000000000000 EF 13.4237241638425 Density= 16.5149072913342 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98662562 0.96662562 0.514907 -0.238665E-03 1 0.97662562 0.96662564 0.265768 -0.238665E-03 2 0.97162563 0.96662539 0.135701 -0.238665E-03 3 0.96912551 0.96662551 0.685642E-01 -0.238665E-03 4 0.96787551 0.96662545 0.343855E-01 -0.238665E-03 5 0.96725048 0.96662524 0.171292E-01 -0.238665E-03 6 0.96693786 0.96662535 0.845481E-02 -0.238665E-03 7 0.96678160 0.96662553 0.410803E-02 -0.238665E-03 8 0.96670357 0.96662568 0.193444E-02 -0.238665E-03 9 0.96666462 0.96662537 0.848968E-03 -0.238665E-03 10 0.96664499 0.96662552 0.301722E-03 -0.238665E-03 11 0.96663526 0.96662544 0.302221E-04 -0.238665E-03 12 0.96663416 0.96663526 -0.408391E-06 0.302221E-04 13 0.96663417 0.96663416 0.244427E-11 -0.408391E-06 Absolute convergence of |F(X)|. Difference in EF= 0.0001164356 EF set to : 13.1517267673 new EF (no-mixing): 13.1517267673 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001230 tlogG= -0.001263 logG= -0.002493 Density= 0.018860 ETOT(band)= 0.000977 trlgG= -0.001802 logG= -0.002493 TDE= -0.017540 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009820 tlogG= -0.009640 logG= -0.019460 Density= 0.150775 ETOT(band)= 0.008072 trlgG= -0.013691 logG= -0.019460 TDE= -0.139976 logGD-logG0= -0.002453 tlogG= -0.002431 logG= -0.004884 Density= 0.037668 ETOT(band)= 0.002047 trlgG= -0.003417 logG= -0.004884 TDE= -0.034943 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004906 tlogG= -0.004675 logG= -0.009580 Density= 0.075363 ETOT(band)= 0.004117 trlgG= -0.006618 logG= -0.009580 TDE= -0.069886 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002458 tlogG= -0.002110 logG= -0.004568 Density= 0.037214 ETOT(band)= 0.002078 trlgG= -0.003125 logG= -0.004568 TDE= -0.034529 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009843 tlogG= -0.008180 logG= -0.018023 Density= 0.149659 ETOT(band)= 0.008475 trlgG= -0.012002 logG= -0.018023 TDE= -0.138643 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001602 tlogG= -0.001319 logG= -0.002921 Density= 0.022664 ETOT(band)= -0.000468 trlgG= -0.003727 logG= -0.002921 TDE= -0.022713 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009843 tlogG= -0.006813 logG= -0.016657 Density= 0.145367 ETOT(band)= 0.005364 trlgG= -0.013721 logG= -0.016657 TDE= -0.137581 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009847 tlogG= -0.008785 logG= -0.018632 Density= 0.149804 ETOT(band)= 0.008498 trlgG= -0.012594 logG= -0.018632 TDE= -0.138767 logGD-logG0= -0.004924 tlogG= -0.004253 logG= -0.009178 Density= 0.074999 ETOT(band)= 0.004129 trlgG= -0.006275 logG= -0.009178 TDE= -0.069595 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009856 tlogG= -0.008916 logG= -0.018772 Density= 0.150268 ETOT(band)= 0.008504 trlgG= -0.012675 logG= -0.018772 TDE= -0.139158 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009817 tlogG= -0.007924 logG= -0.017741 Density= 0.149161 ETOT(band)= 0.009028 trlgG= -0.011157 logG= -0.017741 TDE= -0.137601 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019684 tlogG= -0.016141 logG= -0.035825 Density= 0.299446 ETOT(band)= 0.016849 trlgG= -0.023882 logG= -0.035825 TDE= -0.277512 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019651 tlogG= -0.015026 logG= -0.034678 Density= 0.298092 ETOT(band)= 0.017577 trlgG= -0.021893 logG= -0.034678 TDE= -0.275361 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009604 tlogG= -0.007477 logG= -0.017082 logGD-logG0= -0.003153 tlogG= -0.002615 logG= -0.005767 Density= 0.045698 ETOT(band)= 0.000017 trlgG= -0.006319 logG= -0.005767 TDE= -0.044725 Density= 0.136102 ETOT(band)= -0.002453 trlgG= -0.021698 logG= -0.017082 TDE= -0.136177 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009599 tlogG= -0.007395 logG= -0.016995 Density= 0.135959 ETOT(band)= -0.002409 trlgG= -0.021586 logG= -0.016995 TDE= -0.136015 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003181 tlogG= -0.002561 logG= -0.005743 Density= 0.045396 ETOT(band)= -0.000518 trlgG= -0.006907 logG= -0.005743 TDE= -0.045046 logGD-logG0= -0.003199 tlogG= -0.002534 logG= -0.005733 Density= 0.045139 ETOT(band)= -0.000949 trlgG= -0.007400 logG= -0.005733 TDE= -0.045300 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009585 tlogG= -0.007325 logG= -0.016910 Density= 0.136013 ETOT(band)= -0.002010 trlgG= -0.021077 logG= -0.016910 TDE= -0.135642 logGD-logG0= -0.009845 tlogG= -0.006769 logG= -0.016614 Density= 0.147363 ETOT(band)= 0.007434 trlgG= -0.011624 logG= -0.016614 TDE= -0.137455 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009914 tlogG= -0.006569 logG= -0.016483 Density= 0.143511 ETOT(band)= 0.004177 trlgG= -0.014599 logG= -0.016483 TDE= -0.136838 logGD-logG0= -0.009562 tlogG= -0.007355 logG= -0.016918 Density= 0.136261 ETOT(band)= -0.001589 trlgG= -0.020580 logG= -0.016918 TDE= -0.135377 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009527 tlogG= -0.007395 logG= -0.016922 Density= 0.136749 ETOT(band)= -0.000646 trlgG= -0.019486 logG= -0.016922 TDE= -0.134751 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009906 tlogG= -0.007271 logG= -0.017178 Density= 0.147526 ETOT(band)= 0.007953 trlgG= -0.011686 logG= -0.017178 TDE= -0.137112 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009711 tlogG= -0.006416 logG= -0.016127 Density= 0.140402 ETOT(band)= 0.002343 trlgG= -0.016064 logG= -0.016127 TDE= -0.135654 logGD-logG0= -0.009851 tlogG= -0.007686 logG= -0.017537 Density= 0.148522 ETOT(band)= 0.009213 trlgG= -0.010779 logG= -0.017537 TDE= -0.136809 logGD-logG0= -0.004856 tlogG= -0.003108 logG= -0.007964 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.067270 ETOT(band)= -0.002109 trlgG= -0.011141 logG= -0.007964 TDE= -0.068203 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009586 tlogG= -0.006566 logG= -0.016152 Density= 0.137158 ETOT(band)= -0.000639 trlgG= -0.018993 logG= -0.016152 TDE= -0.135423 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009684 tlogG= -0.006186 logG= -0.015870 Density= 0.138504 ETOT(band)= 0.000281 trlgG= -0.017762 logG= -0.015870 TDE= -0.135774 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009606 tlogG= -0.006892 logG= -0.016498 Density= 0.136981 ETOT(band)= -0.001377 trlgG= -0.020142 logG= -0.016498 TDE= -0.136053 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009716 tlogG= -0.006048 logG= -0.015764 Density= 0.135418 ETOT(band)= -0.003016 trlgG= -0.020913 logG= -0.015764 TDE= -0.136049 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009919 tlogG= -0.006638 logG= -0.016557 Density= 0.144725 ETOT(band)= 0.004859 trlgG= -0.014105 logG= -0.016557 TDE= -0.137444 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019863 tlogG= -0.012919 logG= -0.032782 Density= 0.287880 ETOT(band)= 0.008702 trlgG= -0.028788 logG= -0.032782 TDE= -0.274280 logGD-logG0= -0.019200 tlogG= -0.013782 logG= -0.032983 Density= 0.274128 ETOT(band)= -0.002132 trlgG= -0.039524 logG= -0.032983 TDE= -0.271523 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019413 tlogG= -0.010925 logG= -0.030339 Density= 0.271719 ETOT(band)= -0.004030 trlgG= -0.038840 logG= -0.030339 TDE= -0.271154 logGD-logG0= -0.019128 tlogG= -0.013835 logG= -0.032963 Density= 0.274806 ETOT(band)= -0.000303 trlgG= -0.037307 logG= -0.032963 TDE= -0.269981 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000393 tlogG= 0.008694 logG= 0.008301 Density= 0.005692 ETOT(band)= -0.000011 trlgG= 0.008213 logG= 0.008301 TDE= -0.005590 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019467 tlogG= -0.010258 logG= -0.029725 Density= 0.266493 ETOT(band)= -0.008162 trlgG= -0.042200 logG= -0.029725 TDE= -0.270077 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019595 tlogG= -0.012184 logG= -0.031779 logGD-logG0= -0.019232 tlogG= -0.012472 logG= -0.031703 Density= 0.278622 ETOT(band)= 0.003892 trlgG= -0.032488 logG= -0.031703 TDE= -0.270111 Density= 0.282441 ETOT(band)= 0.005579 trlgG= -0.030808 logG= -0.031779 TDE= -0.272047 logGD-logG0= -0.019440 tlogG= -0.011547 logG= -0.030986 Density= 0.275472 ETOT(band)= -0.000980 trlgG= -0.036343 logG= -0.030986 TDE= -0.271637 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019529 tlogG= -0.010590 logG= -0.030119 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.279828 ETOT(band)= 0.004096 trlgG= -0.030503 logG= -0.030119 TDE= -0.270874 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019306 tlogG= -0.012370 logG= -0.031675 logGD-logG0= -0.019633 tlogG= -0.011246 logG= -0.030879 Density= 0.277652 ETOT(band)= 0.001785 trlgG= -0.034291 logG= -0.031675 TDE= -0.271004 logGD-logG0= -0.009719 tlogG= -0.005476 logG= -0.015195 Density= 0.132934 ETOT(band)= -0.004973 trlgG= -0.022159 logG= -0.015195 TDE= -0.135462 Density= 0.279833 ETOT(band)= 0.003086 trlgG= -0.032411 logG= -0.030879 TDE= -0.272028 logGD-logG0= -0.019459 tlogG= -0.011731 logG= -0.031190 Density= 0.269127 ETOT(band)= -0.007760 trlgG= -0.043226 logG= -0.031190 TDE= -0.272184 logGD-logG0= -0.019443 tlogG= -0.010670 logG= -0.030113 Density= 0.277225 ETOT(band)= 0.002460 trlgG= -0.032554 logG= -0.030113 TDE= -0.270416 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009801 tlogG= -0.006654 logG= -0.016455 Density= 0.144016 ETOT(band)= 0.006152 trlgG= -0.012559 logG= -0.016455 TDE= -0.135315 logGD-logG0= -0.009818 tlogG= -0.004858 logG= -0.014676 Density= 0.132685 ETOT(band)= -0.004665 trlgG= -0.021689 logG= -0.014676 TDE= -0.135271 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019832 tlogG= -0.013013 logG= -0.032845 Density= 0.290872 ETOT(band)= 0.013912 trlgG= -0.023536 logG= -0.032845 TDE= -0.271858 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019496 tlogG= -0.010681 logG= -0.030177 Density= 0.272885 ETOT(band)= -0.003488 trlgG= -0.037979 logG= -0.030177 TDE= -0.271582 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009798 tlogG= -0.005269 logG= -0.015067 logGD-logG0= -0.019715 tlogG= -0.012000 logG= -0.031716 Density= 0.140715 ETOT(band)= 0.002564 trlgG= -0.014786 logG= -0.015067 TDE= -0.135738 Density= 0.281711 ETOT(band)= 0.003573 trlgG= -0.032706 logG= -0.031716 TDE= -0.273302 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009552 tlogG= -0.006870 logG= -0.016422 logGD-logG0= -0.009924 tlogG= -0.006109 logG= -0.016033 Density= 0.144976 ETOT(band)= 0.006271 trlgG= -0.012082 logG= -0.016033 TDE= -0.136187 Density= 0.138696 ETOT(band)= 0.001485 trlgG= -0.017108 logG= -0.016422 TDE= -0.134754 logGD-logG0= -0.019518 tlogG= -0.010158 logG= -0.029676 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.269074 ETOT(band)= -0.006482 trlgG= -0.040450 logG= -0.029676 TDE= -0.270870 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009716 tlogG= -0.005174 logG= -0.014889 Density= 0.136138 ETOT(band)= -0.001851 trlgG= -0.018807 logG= -0.014889 TDE= -0.135514 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009730 tlogG= -0.005522 logG= -0.015252 Density= 0.135521 ETOT(band)= -0.002753 trlgG= -0.020032 logG= -0.015252 TDE= -0.135778 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004948 tlogG= -0.003637 logG= -0.008585 Density= 0.074557 ETOT(band)= 0.004256 trlgG= -0.005535 logG= -0.008585 TDE= -0.069020 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009604 tlogG= -0.006878 logG= -0.016482 Density= 0.138048 ETOT(band)= 0.000121 trlgG= -0.018395 logG= -0.016482 TDE= -0.135355 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004858 tlogG= -0.002589 logG= -0.007447 Density= 0.065664 ETOT(band)= -0.002943 trlgG= -0.011389 logG= -0.007447 TDE= -0.067416 logGD-logG0= -0.009622 tlogG= -0.006667 logG= -0.016289 Density= 0.137386 ETOT(band)= -0.000826 trlgG= -0.019393 logG= -0.016289 TDE= -0.135906 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009670 tlogG= -0.005983 logG= -0.015654 Density= 0.137876 ETOT(band)= -0.000310 trlgG= -0.018192 logG= -0.015654 TDE= -0.135814 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009698 tlogG= -0.005651 logG= -0.015349 Density= 0.133397 ETOT(band)= -0.004558 trlgG= -0.021945 logG= -0.015349 TDE= -0.135542 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009614 tlogG= -0.006698 logG= -0.016312 Density= 0.137435 ETOT(band)= -0.000857 trlgG= -0.019414 logG= -0.016312 TDE= -0.135952 logGD-logG0= -0.009525 tlogG= -0.007794 logG= -0.017320 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138138 ETOT(band)= 0.001288 trlgG= -0.017904 logG= -0.017320 TDE= -0.134113 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009739 tlogG= -0.005313 logG= -0.015051 Density= 0.136905 ETOT(band)= -0.001219 trlgG= -0.018481 logG= -0.015051 TDE= -0.135767 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009649 tlogG= -0.005663 logG= -0.015312 Density= 0.136758 ETOT(band)= -0.000882 trlgG= -0.018456 logG= -0.015312 TDE= -0.135339 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004870 tlogG= -0.002680 logG= -0.007550 logGD-logG0= -0.009849 tlogG= -0.007269 logG= -0.017118 Density= 0.145354 ETOT(band)= 0.007727 trlgG= -0.011579 logG= -0.017118 TDE= -0.134965 Density= 0.068479 ETOT(band)= -0.000640 trlgG= -0.009280 logG= -0.007550 TDE= -0.067925 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009507 tlogG= -0.008025 logG= -0.017532 Density= 0.138428 ETOT(band)= 0.001690 trlgG= -0.017722 logG= -0.017532 TDE= -0.133999 logGD-logG0= -0.019317 tlogG= -0.012064 logG= -0.031380 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.277583 ETOT(band)= 0.001438 trlgG= -0.034487 logG= -0.031380 TDE= -0.271428 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019231 tlogG= -0.011751 logG= -0.030981 Density= 0.276095 ETOT(band)= 0.001271 trlgG= -0.034115 logG= -0.030981 TDE= -0.270016 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009574 tlogG= -0.006940 logG= -0.016515 Density= 0.139041 ETOT(band)= 0.002453 trlgG= -0.016222 logG= -0.016515 TDE= -0.134109 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019055 tlogG= -0.015880 logG= -0.034935 Density= 0.279984 ETOT(band)= 0.006342 trlgG= -0.032701 logG= -0.034935 TDE= -0.268408 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009472 tlogG= -0.009098 logG= -0.018571 Density= 0.139298 ETOT(band)= 0.002390 trlgG= -0.018099 logG= -0.018571 TDE= -0.134179 logGD-logG0= -0.019416 tlogG= -0.013383 logG= -0.032799 Density= 0.285296 ETOT(band)= 0.010980 trlgG= -0.026523 logG= -0.032799 TDE= -0.269500 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009644 tlogG= -0.007604 logG= -0.017248 Density= 0.142663 ETOT(band)= 0.005562 trlgG= -0.013875 logG= -0.017248 TDE= -0.134530 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009801 tlogG= -0.004990 logG= -0.014791 Density= 0.132271 ETOT(band)= -0.004354 trlgG= -0.021516 logG= -0.014791 TDE= -0.134582 logGD-logG0= -0.019162 tlogG= -0.014073 logG= -0.033235 Density= 0.276791 ETOT(band)= 0.003159 trlgG= -0.034312 logG= -0.033235 TDE= -0.268633 logGD-logG0= -0.009932 tlogG= -0.006859 logG= -0.016791 Density= 0.146204 ETOT(band)= 0.008179 trlgG= -0.010961 logG= -0.016791 TDE= -0.135496 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009813 tlogG= -0.005770 logG= -0.015583 Density= 0.142347 ETOT(band)= 0.005127 trlgG= -0.012982 logG= -0.015583 TDE= -0.134996 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019322 tlogG= -0.011812 logG= -0.031134 Density= 0.276808 ETOT(band)= 0.003450 trlgG= -0.032474 logG= -0.031134 TDE= -0.268911 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009572 tlogG= -0.007438 logG= -0.017010 Density= 0.137008 ETOT(band)= -0.000084 trlgG= -0.018969 logG= -0.017010 TDE= -0.134395 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004753 tlogG= -0.004050 logG= -0.008803 Density= 0.069801 ETOT(band)= 0.001425 trlgG= -0.008377 logG= -0.008803 TDE= -0.067046 logGD-logG0= -0.002422 tlogG= -0.001990 logG= -0.004411 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.035870 ETOT(band)= 0.001544 trlgG= -0.003402 logG= -0.004411 TDE= -0.033664 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002370 tlogG= -0.002357 logG= -0.004728 Density= 0.034798 ETOT(band)= 0.000565 trlgG= -0.004651 logG= -0.004728 TDE= -0.033560 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019337 tlogG= -0.012219 logG= -0.031556 Density= 0.277953 ETOT(band)= 0.001507 trlgG= -0.034622 logG= -0.031556 TDE= -0.271745 logGD-logG0= -0.002473 tlogG= -0.001902 logG= -0.004374 Density= 0.036999 ETOT(band)= 0.002367 trlgG= -0.002593 logG= -0.004374 TDE= -0.033983 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003158 tlogG= 0.069959 logG= 0.066801 Density= 0.046049 ETOT(band)= 0.000408 trlgG= 0.066616 logG= 0.066801 TDE= -0.044698 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003176 tlogG= 0.070356 logG= 0.067180 Density= 0.046132 ETOT(band)= 0.000521 trlgG= 0.067108 logG= 0.067180 TDE= -0.044665 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002362 tlogG= 0.052278 logG= 0.049915 Density= 0.034316 ETOT(band)= 0.000095 trlgG= 0.049549 logG= 0.049915 TDE= -0.033538 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009628 tlogG= -0.006395 logG= -0.016022 Density= 0.136907 ETOT(band)= 0.000018 trlgG= -0.018156 logG= -0.016022 TDE= -0.134472 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003150 tlogG= 0.069678 logG= 0.066529 Density= 0.045663 ETOT(band)= 0.000052 trlgG= 0.065954 logG= 0.066529 TDE= -0.044714 logGD-logG0= -0.004842 tlogG= -0.002853 logG= -0.007695 Density= 0.068601 ETOT(band)= 0.000411 trlgG= -0.008477 logG= -0.007695 TDE= -0.067093 logGD-logG0= -0.009540 tlogG= -0.008496 logG= -0.018036 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Density= 0.140761 ETOT(band)= 0.003781 trlgG= -0.016321 logG= -0.018036 TDE= -0.134349 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009593 tlogG= -0.007394 logG= -0.016987 Density= 0.140976 ETOT(band)= 0.004062 trlgG= -0.015127 logG= -0.016987 TDE= -0.134412 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009523 tlogG= 0.210946 logG= 0.201423 Density= 0.139076 ETOT(band)= 0.002204 trlgG= 0.201736 logG= 0.201423 TDE= -0.134123 logGD-logG0= -0.009728 tlogG= -0.005371 logG= -0.015099 Density= 0.134622 ETOT(band)= -0.002172 trlgG= -0.019489 logG= -0.015099 TDE= -0.134520 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009467 tlogG= 0.209889 logG= 0.200422 Density= 0.138128 ETOT(band)= 0.001266 trlgG= 0.199822 logG= 0.200422 TDE= -0.134119 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009502 tlogG= 0.210588 logG= 0.201086 Density= 0.138690 ETOT(band)= 0.001851 trlgG= 0.201076 logG= 0.201086 TDE= -0.134073 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004726 tlogG= 0.104765 logG= 0.100038 Density= 0.068899 ETOT(band)= 0.000446 trlgG= 0.099576 logG= 0.100038 TDE= -0.067063 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009613 tlogG= -0.006736 logG= -0.016349 Density= 0.140771 ETOT(band)= 0.004106 trlgG= -0.014557 logG= -0.016349 TDE= -0.134281 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Sum of eigenvalues= 2.76186587808307 eV TrLogG= -11.8867790914615 eV Ratio to renormalize= 0.999999999737 rho-rho_expected= 0.000000004205 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 23) Finished k-point number 24 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 33) Finished k-point number 34 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 35) Finished k-point number 36 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 55) Finished k-point number 56 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 80) Finished k-point number 81 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 90) Finished k-point number 91 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 88) Finished k-point number 89 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933210021690091 0.930007749237173 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 1) Finished k-point number 2 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1517267672824 Density= 16.0008324172154 16.0000000000000 EF 12.8796129351689 Density= 15.3673414143555 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96663417 0.94663417 0.832417E-03 -0.632659 1 0.96660789 0.94663417 0.998837E-04 -0.632659 2 0.96660431 0.96660789 -0.695749E-09 0.998837E-04 3 0.96660431 0.96660431 0.209214E-08 -0.695749E-09 4 0.96660431 0.96660431 0.209214E-08 -0.695749E-09 Absolute convergence of the X interval. Difference in EF= -0.0004063077 EF set to : 13.1513204595 new EF (no-mixing): 13.1513204595 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001230 tlogG= -0.001263 logG= -0.002493 Density= 0.018860 ETOT(band)= 0.000977 trlgG= -0.001802 logG= -0.002493 TDE= -0.017539 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002453 tlogG= -0.002431 logG= -0.004884 Density= 0.037669 ETOT(band)= 0.002047 trlgG= -0.003417 logG= -0.004884 TDE= -0.034943 logGD-logG0= -0.009820 tlogG= -0.009639 logG= -0.019459 Density= 0.150778 ETOT(band)= 0.008071 trlgG= -0.013690 logG= -0.019459 TDE= -0.139974 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004906 tlogG= -0.004674 logG= -0.009580 Density= 0.075364 ETOT(band)= 0.004117 trlgG= -0.006617 logG= -0.009580 TDE= -0.069885 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002458 tlogG= -0.002110 logG= -0.004568 Density= 0.037215 ETOT(band)= 0.002078 trlgG= -0.003125 logG= -0.004568 TDE= -0.034529 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009843 tlogG= -0.008181 logG= -0.018024 Density= 0.149665 ETOT(band)= 0.008477 trlgG= -0.011999 logG= -0.018024 TDE= -0.138642 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001602 tlogG= -0.001319 logG= -0.002921 Density= 0.022664 ETOT(band)= -0.000469 trlgG= -0.003727 logG= -0.002921 TDE= -0.022713 logGD-logG0= -0.009843 tlogG= -0.006813 logG= -0.016656 Density= 0.145365 ETOT(band)= 0.005359 trlgG= -0.013725 logG= -0.016656 TDE= -0.137580 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009847 tlogG= -0.008784 logG= -0.018631 Density= 0.149807 ETOT(band)= 0.008497 trlgG= -0.012593 logG= -0.018631 TDE= -0.138766 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004924 tlogG= -0.004253 logG= -0.009177 Density= 0.075000 ETOT(band)= 0.004128 trlgG= -0.006275 logG= -0.009177 TDE= -0.069594 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009855 tlogG= -0.008916 logG= -0.018772 Density= 0.150272 ETOT(band)= 0.008503 trlgG= -0.012674 logG= -0.018772 TDE= -0.139156 logGD-logG0= -0.009817 tlogG= -0.007924 logG= -0.017740 Density= 0.149165 ETOT(band)= 0.009028 trlgG= -0.011156 logG= -0.017740 TDE= -0.137600 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019651 tlogG= -0.015026 logG= -0.034678 Density= 0.298099 ETOT(band)= 0.017576 trlgG= -0.021892 logG= -0.034678 TDE= -0.275358 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019684 tlogG= -0.016139 logG= -0.035823 Density= 0.299454 ETOT(band)= 0.016849 trlgG= -0.023879 logG= -0.035823 TDE= -0.277509 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009845 tlogG= -0.006768 logG= -0.016614 Density= 0.147365 ETOT(band)= 0.007433 trlgG= -0.011624 logG= -0.016614 TDE= -0.137454 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003153 tlogG= -0.002616 logG= -0.005769 Density= 0.045698 ETOT(band)= 0.000016 trlgG= -0.006321 logG= -0.005769 TDE= -0.044724 logGD-logG0= -0.003199 tlogG= -0.002534 logG= -0.005733 logGD-logG0= -0.009606 tlogG= -0.007480 logG= -0.017086 Density= 0.045139 ETOT(band)= -0.000950 trlgG= -0.007401 logG= -0.005733 TDE= -0.045300 Density= 0.136104 ETOT(band)= -0.002455 trlgG= -0.021703 logG= -0.017086 TDE= -0.136176 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009598 tlogG= -0.007394 logG= -0.016992 Density= 0.135961 ETOT(band)= -0.002411 trlgG= -0.021586 logG= -0.016992 TDE= -0.136014 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003181 tlogG= -0.002561 logG= -0.005742 Density= 0.045397 ETOT(band)= -0.000519 trlgG= -0.006907 logG= -0.005742 TDE= -0.045046 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009614 tlogG= -0.006697 logG= -0.016311 Density= 0.137436 ETOT(band)= -0.000860 trlgG= -0.019416 logG= -0.016311 TDE= -0.135951 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009527 tlogG= -0.007396 logG= -0.016923 Density= 0.136751 ETOT(band)= -0.000648 trlgG= -0.019489 logG= -0.016923 TDE= -0.134750 logGD-logG0= -0.009584 tlogG= -0.007324 logG= -0.016908 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136014 ETOT(band)= -0.002013 trlgG= -0.021078 logG= -0.016908 TDE= -0.135641 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009906 tlogG= -0.007270 logG= -0.017176 Density= 0.147527 ETOT(band)= 0.007950 trlgG= -0.011686 logG= -0.017176 TDE= -0.137111 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009851 tlogG= -0.007686 logG= -0.017536 Density= 0.148526 ETOT(band)= 0.009213 trlgG= -0.010778 logG= -0.017536 TDE= -0.136807 logGD-logG0= -0.009562 tlogG= -0.007357 logG= -0.016919 Density= 0.136263 ETOT(band)= -0.001591 trlgG= -0.020583 logG= -0.016919 TDE= -0.135377 logGD-logG0= -0.009914 tlogG= -0.006567 logG= -0.016482 Density= 0.143507 ETOT(band)= 0.004170 trlgG= -0.014604 logG= -0.016482 TDE= -0.136837 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009712 tlogG= -0.006416 logG= -0.016128 logGD-logG0= -0.009586 tlogG= -0.006566 logG= -0.016152 Density= 0.140401 ETOT(band)= 0.002339 trlgG= -0.016069 logG= -0.016128 TDE= -0.135653 Density= 0.137159 ETOT(band)= -0.000642 trlgG= -0.018996 logG= -0.016152 TDE= -0.135422 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009671 tlogG= -0.005985 logG= -0.015656 Density= 0.137876 ETOT(band)= -0.000312 trlgG= -0.018197 logG= -0.015656 TDE= -0.135813 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009697 tlogG= -0.005651 logG= -0.015348 Density= 0.133396 ETOT(band)= -0.004562 trlgG= -0.021949 logG= -0.015348 TDE= -0.135542 logGD-logG0= -0.009552 tlogG= -0.006870 logG= -0.016422 Density= 0.138696 ETOT(band)= 0.001481 trlgG= -0.017111 logG= -0.016422 TDE= -0.134753 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009604 tlogG= -0.006882 logG= -0.016486 logGD-logG0= -0.009650 tlogG= -0.005665 logG= -0.015315 Density= 0.138048 ETOT(band)= 0.000117 trlgG= -0.018402 logG= -0.016486 TDE= -0.135354 Density= 0.136760 ETOT(band)= -0.000883 trlgG= -0.018459 logG= -0.015315 TDE= -0.135338 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004856 tlogG= -0.003108 logG= -0.007964 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.067270 ETOT(band)= -0.002111 trlgG= -0.011143 logG= -0.007964 TDE= -0.068202 logGD-logG0= -0.009717 tlogG= -0.006047 logG= -0.015763 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.135417 ETOT(band)= -0.003020 trlgG= -0.020916 logG= -0.015763 TDE= -0.136048 logGD-logG0= -0.009621 tlogG= -0.006667 logG= -0.016288 Density= 0.137387 ETOT(band)= -0.000830 trlgG= -0.019395 logG= -0.016288 TDE= -0.135905 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004858 tlogG= -0.002588 logG= -0.007447 Density= 0.065669 ETOT(band)= -0.002940 trlgG= -0.011386 logG= -0.007447 TDE= -0.067415 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009801 tlogG= -0.006653 logG= -0.016454 Density= 0.144014 ETOT(band)= 0.006147 trlgG= -0.012563 logG= -0.016454 TDE= -0.135313 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009684 tlogG= -0.006186 logG= -0.015871 Density= 0.138503 ETOT(band)= 0.000276 trlgG= -0.017767 logG= -0.015871 TDE= -0.135773 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019863 tlogG= -0.012918 logG= -0.032781 Density= 0.287876 ETOT(band)= 0.008690 trlgG= -0.028797 logG= -0.032781 TDE= -0.274278 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019316 tlogG= -0.012066 logG= -0.031382 Density= 0.277581 ETOT(band)= 0.001427 trlgG= -0.034498 logG= -0.031382 TDE= -0.271427 logGD-logG0= -0.009606 tlogG= -0.006894 logG= -0.016500 logGD-logG0= -0.009919 tlogG= -0.006638 logG= -0.016557 Density= 0.136982 ETOT(band)= -0.001379 trlgG= -0.020145 logG= -0.016500 TDE= -0.136053 Density= 0.144719 ETOT(band)= 0.004850 trlgG= -0.014114 logG= -0.016557 TDE= -0.137443 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019832 tlogG= -0.013012 logG= -0.032844 Density= 0.290872 ETOT(band)= 0.013905 trlgG= -0.023542 logG= -0.032844 TDE= -0.271856 logGD-logG0= -0.019337 tlogG= -0.012218 logG= -0.031555 Density= 0.277954 ETOT(band)= 0.001500 trlgG= -0.034627 logG= -0.031555 TDE= -0.271743 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019412 tlogG= -0.010925 logG= -0.030337 Density= 0.271715 ETOT(band)= -0.004042 trlgG= -0.038848 logG= -0.030337 TDE= -0.271152 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019202 tlogG= -0.013783 logG= -0.032985 Density= 0.274131 ETOT(band)= -0.002137 trlgG= -0.039530 logG= -0.032985 TDE= -0.271521 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004948 tlogG= -0.003637 logG= -0.008584 Density= 0.074558 ETOT(band)= 0.004255 trlgG= -0.005535 logG= -0.008584 TDE= -0.069019 logGD-logG0= -0.019439 tlogG= -0.011546 logG= -0.030985 Density= 0.275466 ETOT(band)= -0.000994 trlgG= -0.036353 logG= -0.030985 TDE= -0.271635 logGD-logG0= -0.019226 tlogG= -0.011749 logG= -0.030975 logGD-logG0= -0.019595 tlogG= -0.012184 logG= -0.031779 Density= 0.282438 ETOT(band)= 0.005568 trlgG= -0.030818 logG= -0.031779 TDE= -0.272044 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.276082 ETOT(band)= 0.001249 trlgG= -0.034128 logG= -0.030975 TDE= -0.270015 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009818 tlogG= -0.004859 logG= -0.014676 Density= 0.132683 ETOT(band)= -0.004670 trlgG= -0.021694 logG= -0.014676 TDE= -0.135270 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019305 tlogG= -0.012368 logG= -0.031674 Density= 0.277649 ETOT(band)= 0.001775 trlgG= -0.034299 logG= -0.031674 TDE= -0.271002 logGD-logG0= -0.019466 tlogG= -0.010257 logG= -0.029723 Density= 0.266475 ETOT(band)= -0.008188 trlgG= -0.042223 logG= -0.029723 TDE= -0.270076 logGD-logG0= -0.019128 tlogG= -0.013832 logG= -0.032960 Density= 0.274810 ETOT(band)= -0.000306 trlgG= -0.037307 logG= -0.032960 TDE= -0.269980 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019528 tlogG= -0.010594 logG= -0.030122 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019232 tlogG= -0.012473 logG= -0.031704 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278620 ETOT(band)= 0.003883 trlgG= -0.032498 logG= -0.031704 TDE= -0.270109 logGD-logG0= -0.000393 tlogG= 0.008694 logG= 0.008301 Density= 0.005692 ETOT(band)= -0.000011 trlgG= 0.008212 logG= 0.008301 TDE= -0.005590 Density= 0.279844 ETOT(band)= 0.004104 trlgG= -0.030497 logG= -0.030122 TDE= -0.270873 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.009720 tlogG= -0.005478 logG= -0.015197 Density= 0.132940 ETOT(band)= -0.004970 trlgG= -0.022158 logG= -0.015197 TDE= -0.135461 logGD-logG0= -0.009798 tlogG= -0.005269 logG= -0.015066 Density= 0.140711 ETOT(band)= 0.002557 trlgG= -0.014791 logG= -0.015066 TDE= -0.135737 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019715 tlogG= -0.012001 logG= -0.031717 Density= 0.281704 ETOT(band)= 0.003559 trlgG= -0.032720 logG= -0.031717 TDE= -0.273300 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019461 tlogG= -0.011733 logG= -0.031194 Density= 0.269131 ETOT(band)= -0.007762 trlgG= -0.043233 logG= -0.031194 TDE= -0.272182 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019495 tlogG= -0.010680 logG= -0.030175 Density= 0.272882 ETOT(band)= -0.003499 trlgG= -0.037987 logG= -0.030175 TDE= -0.271580 logGD-logG0= -0.019442 tlogG= -0.010674 logG= -0.030116 Density= 0.277227 ETOT(band)= 0.002454 trlgG= -0.032561 logG= -0.030116 TDE= -0.270414 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019517 tlogG= -0.010157 logG= -0.029674 Density= 0.269069 ETOT(band)= -0.006494 trlgG= -0.040459 logG= -0.029674 TDE= -0.270868 logGD-logG0= -0.019633 tlogG= -0.011248 logG= -0.030881 Density= 0.279828 ETOT(band)= 0.003073 trlgG= -0.032425 logG= -0.030881 TDE= -0.272026 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009924 tlogG= -0.006109 logG= -0.016033 Density= 0.144975 ETOT(band)= 0.006266 trlgG= -0.012086 logG= -0.016033 TDE= -0.136186 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009739 tlogG= -0.005313 logG= -0.015051 Density= 0.136904 ETOT(band)= -0.001224 trlgG= -0.018486 logG= -0.015051 TDE= -0.135766 logGD-logG0= -0.009732 tlogG= -0.005523 logG= -0.015255 Density= 0.135524 ETOT(band)= -0.002752 trlgG= -0.020035 logG= -0.015255 TDE= -0.135778 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004869 tlogG= -0.002680 logG= -0.007550 Density= 0.068479 ETOT(band)= -0.000642 trlgG= -0.009282 logG= -0.007550 TDE= -0.067924 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009715 tlogG= -0.005172 logG= -0.014886 Density= 0.136137 ETOT(band)= -0.001857 trlgG= -0.018809 logG= -0.014886 TDE= -0.135513 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002473 tlogG= -0.001902 logG= -0.004374 Density= 0.036999 ETOT(band)= 0.002366 trlgG= -0.002593 logG= -0.004374 TDE= -0.033982 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009571 tlogG= -0.007436 logG= -0.017007 Density= 0.137009 ETOT(band)= -0.000087 trlgG= -0.018969 logG= -0.017007 TDE= -0.134395 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009507 tlogG= -0.008026 logG= -0.017532 Density= 0.138429 ETOT(band)= 0.001687 trlgG= -0.017724 logG= -0.017532 TDE= -0.133998 logGD-logG0= -0.009525 tlogG= -0.007794 logG= -0.017319 Density= 0.138138 ETOT(band)= 0.001285 trlgG= -0.017907 logG= -0.017319 TDE= -0.134112 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002370 tlogG= -0.002357 logG= -0.004728 Density= 0.034798 ETOT(band)= 0.000564 trlgG= -0.004652 logG= -0.004728 TDE= -0.033560 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002422 tlogG= -0.001990 logG= -0.004411 Density= 0.035870 ETOT(band)= 0.001543 trlgG= -0.003403 logG= -0.004411 TDE= -0.033664 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009850 tlogG= -0.007269 logG= -0.017118 Density= 0.145354 ETOT(band)= 0.007724 trlgG= -0.011583 logG= -0.017118 TDE= -0.134964 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009593 tlogG= -0.007395 logG= -0.016988 Density= 0.140975 ETOT(band)= 0.004058 trlgG= -0.015132 logG= -0.016988 TDE= -0.134412 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009540 tlogG= -0.008496 logG= -0.018036 Density= 0.140761 ETOT(band)= 0.003777 trlgG= -0.016324 logG= -0.018036 TDE= -0.134349 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009574 tlogG= -0.006942 logG= -0.016516 Density= 0.139041 ETOT(band)= 0.002449 trlgG= -0.016227 logG= -0.016516 TDE= -0.134109 logGD-logG0= -0.009728 tlogG= -0.005372 logG= -0.015100 Density= 0.134616 ETOT(band)= -0.002183 trlgG= -0.019499 logG= -0.015100 TDE= -0.134520 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004753 tlogG= -0.004050 logG= -0.008803 Density= 0.069801 ETOT(band)= 0.001424 trlgG= -0.008378 logG= -0.008803 TDE= -0.067045 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019055 tlogG= -0.015881 logG= -0.034935 Density= 0.279984 ETOT(band)= 0.006334 trlgG= -0.032708 logG= -0.034935 TDE= -0.268407 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009627 tlogG= -0.006394 logG= -0.016021 Density= 0.136909 ETOT(band)= 0.000016 trlgG= -0.018156 logG= -0.016021 TDE= -0.134471 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019416 tlogG= -0.013383 logG= -0.032799 Density= 0.285292 ETOT(band)= 0.010968 trlgG= -0.026533 logG= -0.032799 TDE= -0.269498 logGD-logG0= -0.004843 tlogG= -0.002854 logG= -0.007697 Density= 0.068604 ETOT(band)= 0.000413 trlgG= -0.008477 logG= -0.007697 TDE= -0.067093 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009802 tlogG= -0.004993 logG= -0.014795 Density= 0.132261 ETOT(band)= -0.004367 trlgG= -0.021532 logG= -0.014795 TDE= -0.134581 logGD-logG0= -0.009472 tlogG= -0.009098 logG= -0.018570 Density= 0.139298 ETOT(band)= 0.002387 trlgG= -0.018103 logG= -0.018570 TDE= -0.134179 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019162 tlogG= -0.014070 logG= -0.033233 Density= 0.276792 ETOT(band)= 0.003153 trlgG= -0.034316 logG= -0.033233 TDE= -0.268631 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009932 tlogG= -0.006858 logG= -0.016790 Density= 0.146205 ETOT(band)= 0.008176 trlgG= -0.010963 logG= -0.016790 TDE= -0.135495 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009643 tlogG= -0.007604 logG= -0.017247 Density= 0.142662 ETOT(band)= 0.005558 trlgG= -0.013879 logG= -0.017247 TDE= -0.134529 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009813 tlogG= -0.005770 logG= -0.015583 Density= 0.142344 ETOT(band)= 0.005120 trlgG= -0.012988 logG= -0.015583 TDE= -0.134995 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019322 tlogG= -0.011812 logG= -0.031134 Density= 0.276807 ETOT(band)= 0.003442 trlgG= -0.032481 logG= -0.031134 TDE= -0.268910 logGD-logG0= -0.009612 tlogG= -0.006735 logG= -0.016348 Density= 0.140770 ETOT(band)= 0.004101 trlgG= -0.014559 logG= -0.016348 TDE= -0.134280 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003176 tlogG= 0.070354 logG= 0.067177 Density= 0.046133 ETOT(band)= 0.000520 trlgG= 0.067104 logG= 0.067177 TDE= -0.044665 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003150 tlogG= 0.069676 logG= 0.066526 Density= 0.045664 ETOT(band)= 0.000051 trlgG= 0.065951 logG= 0.066526 TDE= -0.044713 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002362 tlogG= 0.052276 logG= 0.049913 Density= 0.034317 ETOT(band)= 0.000094 trlgG= 0.049547 logG= 0.049913 TDE= -0.033537 logGD-logG0= -0.009523 tlogG= 0.210939 logG= 0.201415 Density= 0.139077 ETOT(band)= 0.002200 trlgG= 0.201725 logG= 0.201415 TDE= -0.134122 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003158 tlogG= 0.069957 logG= 0.066799 Density= 0.046050 ETOT(band)= 0.000407 trlgG= 0.066613 logG= 0.066799 TDE= -0.044698 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009468 tlogG= 0.209883 logG= 0.200415 Density= 0.138129 ETOT(band)= 0.001263 trlgG= 0.199812 logG= 0.200415 TDE= -0.134119 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004726 tlogG= 0.104761 logG= 0.100035 Density= 0.068900 ETOT(band)= 0.000444 trlgG= 0.099572 logG= 0.100035 TDE= -0.067062 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009502 tlogG= 0.210582 logG= 0.201080 Density= 0.138690 ETOT(band)= 0.001847 trlgG= 0.201066 logG= 0.201080 TDE= -0.134072 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.75602595641572 eV TrLogG= -11.8922319037678 eV Ratio to renormalize= 0.999999999607 rho-rho_expected= 0.000000006294 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 33) Finished k-point number 34 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 16) Finished k-point number 17 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 102) Finished k-point number 103 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 61) Finished k-point number 62 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 60) Finished k-point number 61 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 89) Finished k-point number 90 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 88) Finished k-point number 89 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 90) Finished k-point number 91 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 92) Finished k-point number 93 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933144574195702 0.929958225063295 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 87) Finished k-point number 88 1 with #bands= 18 79) Finished k-point number 80 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 16) Finished k-point number 17 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 73) Finished k-point number 74 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 77) Finished k-point number 78 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 92) Finished k-point number 93 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1513204595420 Density= 15.9946933890258 16.0000000000000 EF 13.4234342916555 Density= 16.5107294805784 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98660431 0.96660431 0.510729 -0.530661E-02 1 0.97660431 0.96660433 0.261303 -0.530661E-02 2 0.97160432 0.96660456 0.130976 -0.530661E-02 3 0.96910444 0.96660468 0.636869E-01 -0.530661E-02 4 0.96785456 0.96660438 0.294227E-01 -0.530661E-02 5 0.96722947 0.96660429 0.121180E-01 -0.530661E-02 6 0.96691688 0.96660434 0.342045E-02 -0.530661E-02 7 0.96679426 0.96660434 0.366157E-06 -0.530661E-02 8 0.96679425 0.96660434 0.208331E-10 -0.530661E-02 Absolute convergence of |F(X)|. Difference in EF= 0.0025841893 EF set to : 13.1539046488 new EF (no-mixing): 13.1539046488 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001230 tlogG= -0.001263 logG= -0.002493 Density= 0.018858 ETOT(band)= 0.000978 trlgG= -0.001802 logG= -0.002493 TDE= -0.017541 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009821 tlogG= -0.009641 logG= -0.019461 Density= 0.150758 ETOT(band)= 0.008076 trlgG= -0.013692 logG= -0.019461 TDE= -0.139983 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002454 tlogG= -0.002431 logG= -0.004885 Density= 0.037663 ETOT(band)= 0.002048 trlgG= -0.003417 logG= -0.004885 TDE= -0.034945 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004906 tlogG= -0.004675 logG= -0.009581 Density= 0.075354 ETOT(band)= 0.004119 trlgG= -0.006618 logG= -0.009581 TDE= -0.069889 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002458 tlogG= -0.002110 logG= -0.004568 Density= 0.037208 ETOT(band)= 0.002078 trlgG= -0.003126 logG= -0.004568 TDE= -0.034531 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001602 tlogG= -0.001319 logG= -0.002921 Density= 0.022662 ETOT(band)= -0.000466 trlgG= -0.003725 logG= -0.002921 TDE= -0.022714 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004925 tlogG= -0.004253 logG= -0.009178 Density= 0.074989 ETOT(band)= 0.004129 trlgG= -0.006277 logG= -0.009178 TDE= -0.069598 logGD-logG0= -0.009844 tlogG= -0.006813 logG= -0.016657 Density= 0.145374 ETOT(band)= 0.005391 trlgG= -0.013698 logG= -0.016657 TDE= -0.137587 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009844 tlogG= -0.008181 logG= -0.018025 logGD-logG0= -0.009848 tlogG= -0.008786 logG= -0.018634 Density= 0.149784 ETOT(band)= 0.008499 trlgG= -0.012597 logG= -0.018634 TDE= -0.138774 Density= 0.149639 ETOT(band)= 0.008477 trlgG= -0.012004 logG= -0.018025 TDE= -0.138650 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019653 tlogG= -0.015029 logG= -0.034682 Density= 0.298062 ETOT(band)= 0.017588 trlgG= -0.021891 logG= -0.034682 TDE= -0.275373 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009856 tlogG= -0.008918 logG= -0.018774 Density= 0.150250 ETOT(band)= 0.008507 trlgG= -0.012677 logG= -0.018774 TDE= -0.139164 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009817 tlogG= -0.007925 logG= -0.017743 Density= 0.149143 ETOT(band)= 0.009031 trlgG= -0.011159 logG= -0.017743 TDE= -0.137607 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019686 tlogG= -0.016142 logG= -0.035828 Density= 0.299410 ETOT(band)= 0.016855 trlgG= -0.023885 logG= -0.035828 TDE= -0.277525 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009846 tlogG= -0.006770 logG= -0.016616 Density= 0.147351 ETOT(band)= 0.007442 trlgG= -0.011619 logG= -0.016616 TDE= -0.137461 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003181 tlogG= -0.002561 logG= -0.005742 Density= 0.045393 ETOT(band)= -0.000514 trlgG= -0.006903 logG= -0.005742 TDE= -0.045047 logGD-logG0= -0.003199 tlogG= -0.002534 logG= -0.005733 Density= 0.045135 ETOT(band)= -0.000945 trlgG= -0.007398 logG= -0.005733 TDE= -0.045301 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009599 tlogG= -0.007395 logG= -0.016994 Density= 0.135951 ETOT(band)= -0.002396 trlgG= -0.021575 logG= -0.016994 TDE= -0.136018 logGD-logG0= -0.003153 tlogG= -0.002615 logG= -0.005768 Density= 0.045695 ETOT(band)= 0.000022 trlgG= -0.006316 logG= -0.005768 TDE= -0.044725 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009606 tlogG= -0.007478 logG= -0.017084 Density= 0.136093 ETOT(band)= -0.002439 trlgG= -0.021690 logG= -0.017084 TDE= -0.136180 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009584 tlogG= -0.007324 logG= -0.016908 Density= 0.136004 ETOT(band)= -0.001998 trlgG= -0.021065 logG= -0.016908 TDE= -0.135645 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009527 tlogG= -0.007394 logG= -0.016921 Density= 0.136742 ETOT(band)= -0.000632 trlgG= -0.019474 logG= -0.016921 TDE= -0.134754 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009615 tlogG= -0.006697 logG= -0.016312 logGD-logG0= -0.009907 tlogG= -0.007272 logG= -0.017179 Density= 0.137432 ETOT(band)= -0.000839 trlgG= -0.019399 logG= -0.016312 TDE= -0.135956 Density= 0.147514 ETOT(band)= 0.007961 trlgG= -0.011681 logG= -0.017179 TDE= -0.137118 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009851 tlogG= -0.007688 logG= -0.017539 Density= 0.148506 ETOT(band)= 0.009219 trlgG= -0.010779 logG= -0.017539 TDE= -0.136814 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009915 tlogG= -0.006567 logG= -0.016482 Density= 0.143525 ETOT(band)= 0.004210 trlgG= -0.014567 logG= -0.016482 TDE= -0.136844 logGD-logG0= -0.009563 tlogG= -0.007355 logG= -0.016918 Density= 0.136253 ETOT(band)= -0.001576 trlgG= -0.020570 logG= -0.016918 TDE= -0.135380 logGD-logG0= -0.009712 tlogG= -0.006416 logG= -0.016128 Density= 0.140409 ETOT(band)= 0.002370 trlgG= -0.016040 logG= -0.016128 TDE= -0.135659 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009585 tlogG= -0.006565 logG= -0.016150 Density= 0.137152 ETOT(band)= -0.000624 trlgG= -0.018979 logG= -0.016150 TDE= -0.135427 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004856 tlogG= -0.003107 logG= -0.007963 Density= 0.067264 ETOT(band)= -0.002104 trlgG= -0.011136 logG= -0.007963 TDE= -0.068204 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009622 tlogG= -0.006668 logG= -0.016289 Density= 0.137380 ETOT(band)= -0.000811 trlgG= -0.019381 logG= -0.016289 TDE= -0.135910 logGD-logG0= -0.009671 tlogG= -0.005983 logG= -0.015654 Density= 0.137877 ETOT(band)= -0.000288 trlgG= -0.018173 logG= -0.015654 TDE= -0.135818 logGD-logG0= -0.009552 tlogG= -0.006869 logG= -0.016420 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138695 ETOT(band)= 0.001505 trlgG= -0.017088 logG= -0.016420 TDE= -0.134758 logGD-logG0= -0.009605 tlogG= -0.006880 logG= -0.016485 Density= 0.138046 ETOT(band)= 0.000141 trlgG= -0.018382 logG= -0.016485 TDE= -0.135359 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009698 tlogG= -0.005650 logG= -0.015348 logGD-logG0= -0.009802 tlogG= -0.006653 logG= -0.016456 Density= 0.144021 ETOT(band)= 0.006178 trlgG= -0.012536 logG= -0.016456 TDE= -0.135319 Density= 0.133389 ETOT(band)= -0.004544 trlgG= -0.021933 logG= -0.015348 TDE= -0.135545 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009685 tlogG= -0.006186 logG= -0.015871 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138507 ETOT(band)= 0.000304 trlgG= -0.017741 logG= -0.015871 TDE= -0.135778 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004858 tlogG= -0.002588 logG= -0.007447 logGD-logG0= -0.009717 tlogG= -0.006046 logG= -0.015763 Density= 0.135415 ETOT(band)= -0.002998 trlgG= -0.020897 logG= -0.015763 TDE= -0.136052 Density= 0.065671 ETOT(band)= -0.002926 trlgG= -0.011373 logG= -0.007447 TDE= -0.067417 logGD-logG0= -0.009607 tlogG= -0.006892 logG= -0.016499 Density= 0.136974 ETOT(band)= -0.001362 trlgG= -0.020130 logG= -0.016499 TDE= -0.136057 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009649 tlogG= -0.005662 logG= -0.015311 Density= 0.136756 ETOT(band)= -0.000864 trlgG= -0.018438 logG= -0.015311 TDE= -0.135342 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019320 tlogG= -0.012065 logG= -0.031386 Density= 0.277593 ETOT(band)= 0.001489 trlgG= -0.034448 logG= -0.031386 TDE= -0.271437 logGD-logG0= -0.019863 tlogG= -0.012921 logG= -0.032784 Density= 0.287919 ETOT(band)= 0.008779 trlgG= -0.028717 logG= -0.032784 TDE= -0.274291 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009919 tlogG= -0.006639 logG= -0.016558 Density= 0.144728 ETOT(band)= 0.004883 trlgG= -0.014085 logG= -0.016558 TDE= -0.137449 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019833 tlogG= -0.013011 logG= -0.032844 Density= 0.290866 ETOT(band)= 0.013947 trlgG= -0.023506 logG= -0.032844 TDE= -0.271869 logGD-logG0= -0.019202 tlogG= -0.013782 logG= -0.032985 Density= 0.274115 ETOT(band)= -0.002102 trlgG= -0.039502 logG= -0.032985 TDE= -0.271530 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019529 tlogG= -0.010590 logG= -0.030120 Density= 0.279854 ETOT(band)= 0.004162 trlgG= -0.030441 logG= -0.030120 TDE= -0.270883 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019417 tlogG= -0.010928 logG= -0.030345 Density= 0.271735 ETOT(band)= -0.003972 trlgG= -0.038794 logG= -0.030345 TDE= -0.271161 logGD-logG0= -0.019337 tlogG= -0.012218 logG= -0.031555 Density= 0.277952 ETOT(band)= 0.001546 trlgG= -0.034587 logG= -0.031555 TDE= -0.271754 logGD-logG0= -0.004948 tlogG= -0.003638 logG= -0.008586 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.074550 ETOT(band)= 0.004259 trlgG= -0.005534 logG= -0.008586 TDE= -0.069023 logGD-logG0= -0.019466 tlogG= -0.010255 logG= -0.029721 Density= 0.266513 ETOT(band)= -0.008103 trlgG= -0.042142 logG= -0.029721 TDE= -0.270084 logGD-logG0= -0.019440 tlogG= -0.011543 logG= -0.030983 Density= 0.275486 ETOT(band)= -0.000927 trlgG= -0.036290 logG= -0.030983 TDE= -0.271645 logGD-logG0= -0.009718 tlogG= -0.005476 logG= -0.015194 Density= 0.132927 ETOT(band)= -0.004960 trlgG= -0.022146 logG= -0.015194 TDE= -0.135464 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019230 tlogG= -0.011751 logG= -0.030981 Density= 0.276090 ETOT(band)= 0.001307 trlgG= -0.034083 logG= -0.030981 TDE= -0.270024 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019128 tlogG= -0.013830 logG= -0.032958 Density= 0.274796 ETOT(band)= -0.000270 trlgG= -0.037274 logG= -0.032958 TDE= -0.269988 logGD-logG0= -0.009818 tlogG= -0.004857 logG= -0.014675 Density= 0.132717 ETOT(band)= -0.004614 trlgG= -0.021640 logG= -0.014675 TDE= -0.135275 logGD-logG0= -0.019306 tlogG= -0.012366 logG= -0.031673 Density= 0.277650 ETOT(band)= 0.001825 trlgG= -0.034254 logG= -0.031673 TDE= -0.271011 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019461 tlogG= -0.011730 logG= -0.031190 Density= 0.269113 ETOT(band)= -0.007733 trlgG= -0.043204 logG= -0.031190 TDE= -0.272190 logGD-logG0= -0.019232 tlogG= -0.012473 logG= -0.031704 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278629 ETOT(band)= 0.003940 trlgG= -0.032446 logG= -0.031704 TDE= -0.270119 logGD-logG0= -0.019595 tlogG= -0.012181 logG= -0.031776 Density= 0.282464 ETOT(band)= 0.005639 trlgG= -0.030748 logG= -0.031776 TDE= -0.272056 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019496 tlogG= -0.010679 logG= -0.030175 Density= 0.272901 ETOT(band)= -0.003432 trlgG= -0.037925 logG= -0.030175 TDE= -0.271589 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019634 tlogG= -0.011245 logG= -0.030879 Density= 0.279862 ETOT(band)= 0.003153 trlgG= -0.032348 logG= -0.030879 TDE= -0.272038 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019443 tlogG= -0.010671 logG= -0.030113 Density= 0.277263 ETOT(band)= 0.002535 trlgG= -0.032482 logG= -0.030113 TDE= -0.270425 logGD-logG0= -0.009797 tlogG= -0.005269 logG= -0.015066 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.140719 ETOT(band)= 0.002588 trlgG= -0.014762 logG= -0.015066 TDE= -0.135743 logGD-logG0= -0.009924 tlogG= -0.006110 logG= -0.016034 Density= 0.144979 ETOT(band)= 0.006294 trlgG= -0.012062 logG= -0.016034 TDE= -0.136193 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019718 tlogG= -0.012000 logG= -0.031718 Density= 0.281735 ETOT(band)= 0.003635 trlgG= -0.032651 logG= -0.031718 TDE= -0.273312 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000393 tlogG= 0.008696 logG= 0.008302 Density= 0.005691 ETOT(band)= -0.000010 trlgG= 0.008215 logG= 0.008302 TDE= -0.005590 logGD-logG0= -0.019518 tlogG= -0.010157 logG= -0.029675 Density= 0.269106 ETOT(band)= -0.006411 trlgG= -0.040382 logG= -0.029675 TDE= -0.270877 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.009716 tlogG= -0.005174 logG= -0.014890 Density= 0.136138 ETOT(band)= -0.001830 trlgG= -0.018789 logG= -0.014890 TDE= -0.135517 logGD-logG0= -0.004870 tlogG= -0.002680 logG= -0.007550 Density= 0.068479 ETOT(band)= -0.000630 trlgG= -0.009272 logG= -0.007550 TDE= -0.067927 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009730 tlogG= -0.005520 logG= -0.015250 Density= 0.135520 ETOT(band)= -0.002733 trlgG= -0.020011 logG= -0.015250 TDE= -0.135782 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009739 tlogG= -0.005312 logG= -0.015051 Density= 0.136909 ETOT(band)= -0.001195 trlgG= -0.018459 logG= -0.015051 TDE= -0.135771 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002473 tlogG= -0.001902 logG= -0.004375 Density= 0.036996 ETOT(band)= 0.002369 trlgG= -0.002591 logG= -0.004375 TDE= -0.033984 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009526 tlogG= -0.007794 logG= -0.017319 Density= 0.138133 ETOT(band)= 0.001306 trlgG= -0.017889 logG= -0.017319 TDE= -0.134116 logGD-logG0= -0.002370 tlogG= -0.002357 logG= -0.004727 Density= 0.034797 ETOT(band)= 0.000570 trlgG= -0.004647 logG= -0.004727 TDE= -0.033561 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002422 tlogG= -0.001990 logG= -0.004412 Density= 0.035871 ETOT(band)= 0.001550 trlgG= -0.003397 logG= -0.004412 TDE= -0.033665 logGD-logG0= -0.009571 tlogG= -0.007436 logG= -0.017007 Density= 0.137001 ETOT(band)= -0.000069 trlgG= -0.018953 logG= -0.017007 TDE= -0.134398 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009506 tlogG= -0.008025 logG= -0.017531 Density= 0.138424 ETOT(band)= 0.001707 trlgG= -0.017705 logG= -0.017531 TDE= -0.134001 logGD-logG0= -0.009850 tlogG= -0.007270 logG= -0.017120 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.145355 ETOT(band)= 0.007749 trlgG= -0.011561 logG= -0.017120 TDE= -0.134970 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009593 tlogG= -0.007394 logG= -0.016987 Density= 0.140979 ETOT(band)= 0.004086 trlgG= -0.015106 logG= -0.016987 TDE= -0.134416 logGD-logG0= -0.004754 tlogG= -0.004050 logG= -0.008804 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.069800 ETOT(band)= 0.001436 trlgG= -0.008368 logG= -0.008804 TDE= -0.067047 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009627 tlogG= -0.006394 logG= -0.016021 Density= 0.136900 ETOT(band)= 0.000033 trlgG= -0.018142 logG= -0.016021 TDE= -0.134475 logGD-logG0= -0.009540 tlogG= -0.008496 logG= -0.018037 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.140762 ETOT(band)= 0.003803 trlgG= -0.016301 logG= -0.018037 TDE= -0.134353 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009728 tlogG= -0.005369 logG= -0.015097 Density= 0.134622 ETOT(band)= -0.002153 trlgG= -0.019468 logG= -0.015097 TDE= -0.134523 logGD-logG0= -0.009574 tlogG= -0.006940 logG= -0.016514 Density= 0.139039 ETOT(band)= 0.002471 trlgG= -0.016204 logG= -0.016514 TDE= -0.134113 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019055 tlogG= -0.015880 logG= -0.034935 Density= 0.279983 ETOT(band)= 0.006383 trlgG= -0.032663 logG= -0.034935 TDE= -0.268414 logGD-logG0= -0.004842 tlogG= -0.002853 logG= -0.007696 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.068600 ETOT(band)= 0.000421 trlgG= -0.008468 logG= -0.007696 TDE= -0.067095 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019417 tlogG= -0.013383 logG= -0.032800 Density= 0.285310 ETOT(band)= 0.011034 trlgG= -0.026473 logG= -0.032800 TDE= -0.269509 logGD-logG0= -0.009472 tlogG= -0.009098 logG= -0.018570 Density= 0.139295 ETOT(band)= 0.002409 trlgG= -0.018082 logG= -0.018570 TDE= -0.134182 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009802 tlogG= -0.004990 logG= -0.014792 Density= 0.132295 ETOT(band)= -0.004312 trlgG= -0.021476 logG= -0.014792 TDE= -0.134586 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009644 tlogG= -0.007604 logG= -0.017248 Density= 0.142667 ETOT(band)= 0.005587 trlgG= -0.013853 logG= -0.017248 TDE= -0.134534 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009932 tlogG= -0.006860 logG= -0.016792 Density= 0.146200 ETOT(band)= 0.008195 trlgG= -0.010948 logG= -0.016792 TDE= -0.135501 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019164 tlogG= -0.014070 logG= -0.033234 Density= 0.276786 ETOT(band)= 0.003198 trlgG= -0.034278 logG= -0.033234 TDE= -0.268639 logGD-logG0= -0.009613 tlogG= -0.006735 logG= -0.016348 Density= 0.140772 ETOT(band)= 0.004127 trlgG= -0.014536 logG= -0.016348 TDE= -0.134285 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019322 tlogG= -0.011807 logG= -0.031130 Density= 0.276815 ETOT(band)= 0.003498 trlgG= -0.032426 logG= -0.031130 TDE= -0.268919 logGD-logG0= -0.009813 tlogG= -0.005771 logG= -0.015584 Density= 0.142360 ETOT(band)= 0.005159 trlgG= -0.012953 logG= -0.015584 TDE= -0.135001 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003176 tlogG= 0.070369 logG= 0.067192 Density= 0.046131 ETOT(band)= 0.000526 trlgG= 0.067125 logG= 0.067192 TDE= -0.044666 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002362 tlogG= 0.052287 logG= 0.049924 Density= 0.034314 ETOT(band)= 0.000099 trlgG= 0.049561 logG= 0.049924 TDE= -0.033538 logGD-logG0= -0.003150 tlogG= 0.069691 logG= 0.066541 Density= 0.045661 ETOT(band)= 0.000057 trlgG= 0.065971 logG= 0.066541 TDE= -0.044714 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003158 tlogG= 0.069971 logG= 0.066813 Density= 0.046047 ETOT(band)= 0.000414 trlgG= 0.066633 logG= 0.066813 TDE= -0.044699 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009523 tlogG= 0.210983 logG= 0.201460 Density= 0.139073 ETOT(band)= 0.002222 trlgG= 0.201790 logG= 0.201460 TDE= -0.134125 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004726 tlogG= 0.104783 logG= 0.100057 Density= 0.068896 ETOT(band)= 0.000454 trlgG= 0.099602 logG= 0.100057 TDE= -0.067064 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009468 tlogG= 0.209926 logG= 0.200458 Density= 0.138122 ETOT(band)= 0.001283 trlgG= 0.199873 logG= 0.200458 TDE= -0.134122 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009502 tlogG= 0.210626 logG= 0.201124 Density= 0.138685 ETOT(band)= 0.001868 trlgG= 0.201129 logG= 0.201124 TDE= -0.134075 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.79388427691257 eV TrLogG= -11.8560913496846 eV Ratio to renormalize= 0.999999999736 rho-rho_expected= 0.000000004225 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 43) Finished k-point number 44 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 67) Finished k-point number 68 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 32) Finished k-point number 33 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 102) Finished k-point number 103 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 62) Finished k-point number 63 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 95) Finished k-point number 96 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933081937878784 0.929883291093734 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1539046488360 Density= 15.9929068729914 16.0000000000000 EF 13.4260184809496 Density= 16.5096866880993 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98679425 0.96679425 0.509687 -0.709313E-02 1 0.97679425 0.96679426 0.259971 -0.709313E-02 2 0.97179426 0.96679402 0.129446 -0.709313E-02 3 0.96929414 0.96679414 0.620303E-01 -0.709313E-02 4 0.96804414 0.96679408 0.276966E-01 -0.709313E-02 5 0.96741911 0.96679435 0.103589E-01 -0.709313E-02 6 0.96710673 0.96679445 0.164941E-02 -0.709312E-02 7 0.96704772 0.96679445 0.874264E-06 -0.709312E-02 8 0.96704769 0.96679445 0.134325E-09 -0.709312E-02 9 0.96704769 0.96704769 -0.266041E-08 0.134325E-09 10 0.96704769 0.96704769 -0.266041E-08 0.134325E-09 Absolute convergence of the X interval. Difference in EF= 0.0034482855 EF set to : 13.1573529343 new EF (no-mixing): 13.1573529343 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001230 tlogG= -0.001263 logG= -0.002493 Density= 0.018855 ETOT(band)= 0.000979 trlgG= -0.001802 logG= -0.002493 TDE= -0.017542 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009822 tlogG= -0.009643 logG= -0.019464 Density= 0.150732 ETOT(band)= 0.008083 trlgG= -0.013693 logG= -0.019464 TDE= -0.139994 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002454 tlogG= -0.002432 logG= -0.004886 Density= 0.037657 ETOT(band)= 0.002050 trlgG= -0.003418 logG= -0.004886 TDE= -0.034948 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004907 tlogG= -0.004676 logG= -0.009583 Density= 0.075341 ETOT(band)= 0.004123 trlgG= -0.006619 logG= -0.009583 TDE= -0.069894 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002459 tlogG= -0.002111 logG= -0.004569 Density= 0.037200 ETOT(band)= 0.002078 trlgG= -0.003128 logG= -0.004569 TDE= -0.034533 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009849 tlogG= -0.008788 logG= -0.018637 Density= 0.149755 ETOT(band)= 0.008503 trlgG= -0.012601 logG= -0.018637 TDE= -0.138784 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009845 tlogG= -0.008183 logG= -0.018027 Density= 0.149611 ETOT(band)= 0.008481 trlgG= -0.012007 logG= -0.018027 TDE= -0.138660 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009844 tlogG= -0.006816 logG= -0.016660 Density= 0.145388 ETOT(band)= 0.005436 trlgG= -0.013659 logG= -0.016660 TDE= -0.137596 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004925 tlogG= -0.004254 logG= -0.009180 Density= 0.074975 ETOT(band)= 0.004131 trlgG= -0.006279 logG= -0.009180 TDE= -0.069603 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001602 tlogG= -0.001318 logG= -0.002920 Density= 0.022660 ETOT(band)= -0.000463 trlgG= -0.003722 logG= -0.002920 TDE= -0.022715 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009857 tlogG= -0.008919 logG= -0.018777 Density= 0.150222 ETOT(band)= 0.008512 trlgG= -0.012679 logG= -0.018777 TDE= -0.139175 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009818 tlogG= -0.007927 logG= -0.017745 Density= 0.149115 ETOT(band)= 0.009036 trlgG= -0.011161 logG= -0.017745 TDE= -0.137617 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019688 tlogG= -0.016145 logG= -0.035833 Density= 0.299352 ETOT(band)= 0.016863 trlgG= -0.023891 logG= -0.035833 TDE= -0.277546 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019654 tlogG= -0.015033 logG= -0.034688 Density= 0.298013 ETOT(band)= 0.017605 trlgG= -0.021888 logG= -0.034688 TDE= -0.275393 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009847 tlogG= -0.006771 logG= -0.016618 Density= 0.147331 ETOT(band)= 0.007455 trlgG= -0.011613 logG= -0.016618 TDE= -0.137471 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003199 tlogG= -0.002533 logG= -0.005733 Density= 0.045130 ETOT(band)= -0.000939 trlgG= -0.007393 logG= -0.005733 TDE= -0.045303 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009606 tlogG= -0.007476 logG= -0.017082 Density= 0.136080 ETOT(band)= -0.002420 trlgG= -0.021673 logG= -0.017082 TDE= -0.136186 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003153 tlogG= -0.002614 logG= -0.005767 Density= 0.045692 ETOT(band)= 0.000030 trlgG= -0.006308 logG= -0.005767 TDE= -0.044727 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003181 tlogG= -0.002560 logG= -0.005741 Density= 0.045388 ETOT(band)= -0.000508 trlgG= -0.006897 logG= -0.005741 TDE= -0.045048 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009599 tlogG= -0.007392 logG= -0.016991 Density= 0.135935 ETOT(band)= -0.002379 trlgG= -0.021558 logG= -0.016991 TDE= -0.136023 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009584 tlogG= -0.007320 logG= -0.016905 Density= 0.135989 ETOT(band)= -0.001980 trlgG= -0.021047 logG= -0.016905 TDE= -0.135650 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009908 tlogG= -0.007273 logG= -0.017181 logGD-logG0= -0.009615 tlogG= -0.006696 logG= -0.016311 Density= 0.147488 ETOT(band)= 0.007967 trlgG= -0.011681 logG= -0.017181 TDE= -0.137127 Density= 0.137424 ETOT(band)= -0.000814 trlgG= -0.019377 logG= -0.016311 TDE= -0.135962 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009852 tlogG= -0.007689 logG= -0.017541 Density= 0.148480 ETOT(band)= 0.009225 trlgG= -0.010778 logG= -0.017541 TDE= -0.136824 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009917 tlogG= -0.006568 logG= -0.016485 Density= 0.143544 ETOT(band)= 0.004261 trlgG= -0.014524 logG= -0.016485 TDE= -0.136852 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009713 tlogG= -0.006415 logG= -0.016128 logGD-logG0= -0.009563 tlogG= -0.007353 logG= -0.016916 Density= 0.140420 ETOT(band)= 0.002413 trlgG= -0.016001 logG= -0.016128 TDE= -0.135666 Density= 0.136239 ETOT(band)= -0.001555 trlgG= -0.020551 logG= -0.016916 TDE= -0.135385 logGD-logG0= -0.009527 tlogG= -0.007394 logG= -0.016921 Density= 0.136730 ETOT(band)= -0.000609 trlgG= -0.019454 logG= -0.016921 TDE= -0.134758 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009623 tlogG= -0.006666 logG= -0.016289 logGD-logG0= -0.009586 tlogG= -0.006564 logG= -0.016150 Density= 0.137144 ETOT(band)= -0.000599 trlgG= -0.018958 logG= -0.016150 TDE= -0.135433 Density= 0.137376 ETOT(band)= -0.000782 trlgG= -0.019356 logG= -0.016289 TDE= -0.135917 logGD-logG0= -0.009672 tlogG= -0.005982 logG= -0.015654 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137880 ETOT(band)= -0.000252 trlgG= -0.018142 logG= -0.015654 TDE= -0.135825 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009551 tlogG= -0.006868 logG= -0.016419 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138693 ETOT(band)= 0.001536 trlgG= -0.017060 logG= -0.016419 TDE= -0.134764 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009698 tlogG= -0.005648 logG= -0.015346 Density= 0.133371 ETOT(band)= -0.004529 trlgG= -0.021919 logG= -0.015346 TDE= -0.135549 logGD-logG0= -0.004856 tlogG= -0.003106 logG= -0.007962 Density= 0.067259 ETOT(band)= -0.002094 trlgG= -0.011127 logG= -0.007962 TDE= -0.068207 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004859 tlogG= -0.002587 logG= -0.007446 Density= 0.065662 ETOT(band)= -0.002919 trlgG= -0.011367 logG= -0.007446 TDE= -0.067419 logGD-logG0= -0.009604 tlogG= -0.006879 logG= -0.016483 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138039 ETOT(band)= 0.000166 trlgG= -0.018357 logG= -0.016483 TDE= -0.135364 logGD-logG0= -0.009718 tlogG= -0.006044 logG= -0.015762 Density= 0.135410 ETOT(band)= -0.002970 trlgG= -0.020871 logG= -0.015762 TDE= -0.136058 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009685 tlogG= -0.006185 logG= -0.015870 Density= 0.138512 ETOT(band)= 0.000341 trlgG= -0.017708 logG= -0.015870 TDE= -0.135785 logGD-logG0= -0.009803 tlogG= -0.006655 logG= -0.016457 Density= 0.144029 ETOT(band)= 0.006217 trlgG= -0.012501 logG= -0.016457 TDE= -0.135327 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009649 tlogG= -0.005660 logG= -0.015310 Density= 0.136755 ETOT(band)= -0.000833 trlgG= -0.018409 logG= -0.015310 TDE= -0.135349 logGD-logG0= -0.009607 tlogG= -0.006890 logG= -0.016497 Density= 0.136966 ETOT(band)= -0.001337 trlgG= -0.020108 logG= -0.016497 TDE= -0.136063 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019319 tlogG= -0.012063 logG= -0.031383 Density= 0.277590 ETOT(band)= 0.001549 trlgG= -0.034391 logG= -0.031383 TDE= -0.271451 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009920 tlogG= -0.006641 logG= -0.016561 Density= 0.144757 ETOT(band)= 0.004943 trlgG= -0.014032 logG= -0.016561 TDE= -0.137458 logGD-logG0= -0.019864 tlogG= -0.012922 logG= -0.032787 Density= 0.287955 ETOT(band)= 0.008877 trlgG= -0.028629 logG= -0.032787 TDE= -0.274309 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019599 tlogG= -0.012183 logG= -0.031782 Density= 0.282497 ETOT(band)= 0.005735 trlgG= -0.030666 logG= -0.031782 TDE= -0.272072 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019414 tlogG= -0.010920 logG= -0.030333 Density= 0.271740 ETOT(band)= -0.003905 trlgG= -0.038722 logG= -0.030333 TDE= -0.271174 logGD-logG0= -0.019338 tlogG= -0.012214 logG= -0.031553 logGD-logG0= -0.019232 tlogG= -0.012468 logG= -0.031700 Density= 0.278633 ETOT(band)= 0.004008 trlgG= -0.032381 logG= -0.031700 TDE= -0.270133 Density= 0.277959 ETOT(band)= 0.001617 trlgG= -0.034522 logG= -0.031553 TDE= -0.271768 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019202 tlogG= -0.013777 logG= -0.032979 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.274096 ETOT(band)= -0.002055 trlgG= -0.039457 logG= -0.032979 TDE= -0.271542 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019440 tlogG= -0.011540 logG= -0.030980 Density= 0.275511 ETOT(band)= -0.000839 trlgG= -0.036206 logG= -0.030980 TDE= -0.271659 logGD-logG0= -0.000393 tlogG= 0.008698 logG= 0.008305 Density= 0.005691 ETOT(band)= -0.000009 trlgG= 0.008218 logG= 0.008305 TDE= -0.005590 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019834 tlogG= -0.013020 logG= -0.032854 Density= 0.290862 ETOT(band)= 0.014007 trlgG= -0.023461 logG= -0.032854 TDE= -0.271885 logGD-logG0= -0.004948 tlogG= -0.003638 logG= -0.008587 Density= 0.074538 ETOT(band)= 0.004264 trlgG= -0.005532 logG= -0.008587 TDE= -0.069028 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019531 tlogG= -0.010594 logG= -0.030126 Density= 0.279916 ETOT(band)= 0.004287 trlgG= -0.030330 logG= -0.030126 TDE= -0.270897 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019231 tlogG= -0.011746 logG= -0.030978 Density= 0.276091 ETOT(band)= 0.001374 trlgG= -0.034020 logG= -0.030978 TDE= -0.270036 logGD-logG0= -0.019308 tlogG= -0.012365 logG= -0.031673 Density= 0.277657 ETOT(band)= 0.001896 trlgG= -0.034190 logG= -0.031673 TDE= -0.271024 logGD-logG0= -0.019128 tlogG= -0.013832 logG= -0.032960 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.274778 ETOT(band)= -0.000221 trlgG= -0.037235 logG= -0.032960 TDE= -0.269998 logGD-logG0= -0.019466 tlogG= -0.010253 logG= -0.029720 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.266554 ETOT(band)= -0.008001 trlgG= -0.042045 logG= -0.029720 TDE= -0.270095 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009820 tlogG= -0.004856 logG= -0.014677 Density= 0.132771 ETOT(band)= -0.004530 trlgG= -0.021562 logG= -0.014677 TDE= -0.135281 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009720 tlogG= -0.005474 logG= -0.015194 Density= 0.132919 ETOT(band)= -0.004934 trlgG= -0.022123 logG= -0.015194 TDE= -0.135468 logGD-logG0= -0.019461 tlogG= -0.011724 logG= -0.031185 Density= 0.269090 ETOT(band)= -0.007691 trlgG= -0.043163 logG= -0.031185 TDE= -0.272201 logGD-logG0= -0.019443 tlogG= -0.010669 logG= -0.030112 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.277305 ETOT(band)= 0.002638 trlgG= -0.032384 logG= -0.030112 TDE= -0.270439 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009924 tlogG= -0.006112 logG= -0.016037 Density= 0.144983 ETOT(band)= 0.006330 trlgG= -0.012032 logG= -0.016037 TDE= -0.136201 logGD-logG0= -0.019721 tlogG= -0.011999 logG= -0.031720 Density= 0.281787 ETOT(band)= 0.003748 trlgG= -0.032547 logG= -0.031720 TDE= -0.273329 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019635 tlogG= -0.011243 logG= -0.030878 Density= 0.279886 ETOT(band)= 0.003238 trlgG= -0.032269 logG= -0.030878 TDE= -0.272054 logGD-logG0= -0.019495 tlogG= -0.010676 logG= -0.030171 Density= 0.272933 ETOT(band)= -0.003339 trlgG= -0.037834 logG= -0.030171 TDE= -0.271602 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019519 tlogG= -0.010156 logG= -0.029675 Density= 0.269167 ETOT(band)= -0.006287 trlgG= -0.040266 logG= -0.029675 TDE= -0.270889 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009798 tlogG= -0.005270 logG= -0.015068 Density= 0.140737 ETOT(band)= 0.002637 trlgG= -0.014719 logG= -0.015068 TDE= -0.135750 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009716 tlogG= -0.005172 logG= -0.014888 Density= 0.136137 ETOT(band)= -0.001800 trlgG= -0.018760 logG= -0.014888 TDE= -0.135523 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009739 tlogG= -0.005311 logG= -0.015050 Density= 0.136916 ETOT(band)= -0.001156 trlgG= -0.018424 logG= -0.015050 TDE= -0.135778 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004870 tlogG= -0.002679 logG= -0.007549 Density= 0.068478 ETOT(band)= -0.000615 trlgG= -0.009258 logG= -0.007549 TDE= -0.067930 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009730 tlogG= -0.005519 logG= -0.015249 Density= 0.135517 ETOT(band)= -0.002703 trlgG= -0.019984 logG= -0.015249 TDE= -0.135787 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002473 tlogG= -0.001902 logG= -0.004375 Density= 0.036992 ETOT(band)= 0.002374 trlgG= -0.002588 logG= -0.004375 TDE= -0.033986 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009525 tlogG= -0.007792 logG= -0.017318 Density= 0.138126 ETOT(band)= 0.001333 trlgG= -0.017862 logG= -0.017318 TDE= -0.134120 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009573 tlogG= -0.007436 logG= -0.017009 Density= 0.136990 ETOT(band)= -0.000045 trlgG= -0.018936 logG= -0.017009 TDE= -0.134402 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009851 tlogG= -0.007271 logG= -0.017122 Density= 0.145358 ETOT(band)= 0.007786 trlgG= -0.011531 logG= -0.017122 TDE= -0.134977 logGD-logG0= -0.002422 tlogG= -0.001990 logG= -0.004412 Density= 0.035872 ETOT(band)= 0.001560 trlgG= -0.003388 logG= -0.004412 TDE= -0.033666 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009507 tlogG= -0.008024 logG= -0.017531 Density= 0.138418 ETOT(band)= 0.001736 trlgG= -0.017680 logG= -0.017531 TDE= -0.134005 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002370 tlogG= -0.002357 logG= -0.004727 Density= 0.034796 ETOT(band)= 0.000577 trlgG= -0.004640 logG= -0.004727 TDE= -0.033562 logGD-logG0= -0.004753 tlogG= -0.004049 logG= -0.008803 Density= 0.069799 ETOT(band)= 0.001451 trlgG= -0.008353 logG= -0.008803 TDE= -0.067049 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009628 tlogG= -0.006393 logG= -0.016021 Density= 0.136891 ETOT(band)= 0.000057 trlgG= -0.018121 logG= -0.016021 TDE= -0.134480 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009541 tlogG= -0.008496 logG= -0.018037 Density= 0.140764 ETOT(band)= 0.003838 trlgG= -0.016270 logG= -0.018037 TDE= -0.134358 logGD-logG0= -0.009593 tlogG= -0.007395 logG= -0.016988 Density= 0.140983 ETOT(band)= 0.004123 trlgG= -0.015073 logG= -0.016988 TDE= -0.134423 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009728 tlogG= -0.005368 logG= -0.015096 Density= 0.134629 ETOT(band)= -0.002114 trlgG= -0.019431 logG= -0.015096 TDE= -0.134528 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009574 tlogG= -0.006939 logG= -0.016514 Density= 0.139037 ETOT(band)= 0.002503 trlgG= -0.016176 logG= -0.016514 TDE= -0.134118 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004842 tlogG= -0.002852 logG= -0.007694 Density= 0.068600 ETOT(band)= 0.000436 trlgG= -0.008453 logG= -0.007694 TDE= -0.067098 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019055 tlogG= -0.015879 logG= -0.034934 Density= 0.279982 ETOT(band)= 0.006449 trlgG= -0.032603 logG= -0.034934 TDE= -0.268424 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019417 tlogG= -0.013384 logG= -0.032802 Density= 0.285330 ETOT(band)= 0.011117 trlgG= -0.026398 logG= -0.032802 TDE= -0.269523 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009472 tlogG= -0.009097 logG= -0.018570 Density= 0.139291 ETOT(band)= 0.002439 trlgG= -0.018054 logG= -0.018570 TDE= -0.134186 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009804 tlogG= -0.004994 logG= -0.014798 Density= 0.132337 ETOT(band)= -0.004240 trlgG= -0.021414 logG= -0.014798 TDE= -0.134591 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009933 tlogG= -0.006862 logG= -0.016795 Density= 0.146193 ETOT(band)= 0.008220 trlgG= -0.010929 logG= -0.016795 TDE= -0.135510 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009644 tlogG= -0.007605 logG= -0.017249 Density= 0.142673 ETOT(band)= 0.005625 trlgG= -0.013819 logG= -0.017249 TDE= -0.134541 logGD-logG0= -0.009814 tlogG= -0.005771 logG= -0.015586 Density= 0.142380 ETOT(band)= 0.005210 trlgG= -0.012907 logG= -0.015586 TDE= -0.135009 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019163 tlogG= -0.014072 logG= -0.033235 Density= 0.276775 ETOT(band)= 0.003253 trlgG= -0.034230 logG= -0.033235 TDE= -0.268649 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019327 tlogG= -0.011813 logG= -0.031139 Density= 0.276821 ETOT(band)= 0.003571 trlgG= -0.032372 logG= -0.031139 TDE= -0.268931 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009613 tlogG= -0.006734 logG= -0.016346 Density= 0.140776 ETOT(band)= 0.004165 trlgG= -0.014500 logG= -0.016346 TDE= -0.134291 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003150 tlogG= 0.069710 logG= 0.066560 Density= 0.045657 ETOT(band)= 0.000065 trlgG= 0.065997 logG= 0.066560 TDE= -0.044716 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002362 tlogG= 0.052302 logG= 0.049939 Density= 0.034312 ETOT(band)= 0.000105 trlgG= 0.049581 logG= 0.049939 TDE= -0.033539 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003177 tlogG= 0.070388 logG= 0.067211 Density= 0.046128 ETOT(band)= 0.000536 trlgG= 0.067152 logG= 0.067211 TDE= -0.044667 logGD-logG0= -0.003158 tlogG= 0.069991 logG= 0.066833 Density= 0.046044 ETOT(band)= 0.000423 trlgG= 0.066660 logG= 0.066833 TDE= -0.044700 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009523 tlogG= 0.211041 logG= 0.201517 Density= 0.139068 ETOT(band)= 0.002251 trlgG= 0.201873 logG= 0.201517 TDE= -0.134129 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009468 tlogG= 0.209985 logG= 0.200517 Density= 0.138114 ETOT(band)= 0.001309 trlgG= 0.199954 logG= 0.200517 TDE= -0.134126 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004726 tlogG= 0.104813 logG= 0.100086 Density= 0.068891 ETOT(band)= 0.000466 trlgG= 0.099642 logG= 0.100086 TDE= -0.067066 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009504 tlogG= 0.210682 logG= 0.201178 Density= 0.138679 ETOT(band)= 0.001898 trlgG= 0.201209 logG= 0.201178 TDE= -0.134079 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.84421649391250 eV TrLogG= -11.8079558957270 eV Ratio to renormalize= 0.999999999903 rho-rho_expected= 0.000000001546 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 44) Finished k-point number 45 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 92) Finished k-point number 93 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 89) Finished k-point number 90 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 75) Finished k-point number 76 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 91) Finished k-point number 92 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 19) Finished k-point number 20 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 78) Finished k-point number 79 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 98) Finished k-point number 99 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 56) Finished k-point number 57 1 with #bands= 18 71) Finished k-point number 72 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933065745429812 0.929907203382755 7) Finished k-point number 8 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 25) Finished k-point number 26 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 26) Finished k-point number 27 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 78) Finished k-point number 79 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1573529343393 Density= 16.0274770322785 16.0000000000000 EF 12.8852391022257 Density= 15.4001400097226 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96704769 0.94704769 0.274770E-01 -0.599860 1 0.96617170 0.94704769 0.337140E-02 -0.599860 2 0.96604987 0.96617170 -0.575239E-06 0.337140E-02 3 0.96604989 0.96604987 0.413277E-09 -0.575239E-06 4 0.96604989 0.96604989 -0.235647E-08 0.413277E-09 5 0.96604989 0.96604989 -0.235647E-08 0.413277E-09 Absolute convergence of the X interval. Difference in EF= -0.0135757543 EF set to : 13.1437771800 new EF (no-mixing): 13.1437771800 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001217 tlogG= -0.001258 logG= -0.002474 Density= 0.018876 ETOT(band)= 0.000999 trlgG= -0.001768 logG= -0.002474 TDE= -0.017529 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002426 tlogG= -0.002421 logG= -0.004848 Density= 0.037700 ETOT(band)= 0.002093 trlgG= -0.003349 logG= -0.004848 TDE= -0.034922 logGD-logG0= -0.009712 tlogG= -0.009601 logG= -0.019313 Density= 0.150904 ETOT(band)= 0.008252 trlgG= -0.013421 logG= -0.019313 TDE= -0.139889 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004852 tlogG= -0.004655 logG= -0.009507 Density= 0.075428 ETOT(band)= 0.004208 trlgG= -0.006482 logG= -0.009507 TDE= -0.069842 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002431 tlogG= -0.002100 logG= -0.004531 Density= 0.037247 ETOT(band)= 0.002124 trlgG= -0.003056 logG= -0.004531 TDE= -0.034507 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001584 tlogG= -0.001314 logG= -0.002898 Density= 0.022674 ETOT(band)= -0.000449 trlgG= -0.003691 logG= -0.002898 TDE= -0.022697 logGD-logG0= -0.009737 tlogG= -0.006773 logG= -0.016510 Density= 0.145239 ETOT(band)= 0.005288 trlgG= -0.013693 logG= -0.016510 TDE= -0.137492 logGD-logG0= -0.009739 tlogG= -0.008745 logG= -0.018485 Density= 0.149946 ETOT(band)= 0.008691 trlgG= -0.012309 logG= -0.018485 TDE= -0.138679 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009735 tlogG= -0.008141 logG= -0.017875 Density= 0.149793 ETOT(band)= 0.008661 trlgG= -0.011723 logG= -0.017875 TDE= -0.138555 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004870 tlogG= -0.004233 logG= -0.009104 Density= 0.075071 ETOT(band)= 0.004226 trlgG= -0.006133 logG= -0.009104 TDE= -0.069551 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009709 tlogG= -0.007884 logG= -0.017593 Density= 0.149279 ETOT(band)= 0.009198 trlgG= -0.010894 logG= -0.017593 TDE= -0.137512 logGD-logG0= -0.009748 tlogG= -0.008877 logG= -0.018625 Density= 0.150407 ETOT(band)= 0.008694 trlgG= -0.012394 logG= -0.018625 TDE= -0.139070 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019435 tlogG= -0.014947 logG= -0.034382 Density= 0.298291 ETOT(band)= 0.017878 trlgG= -0.021401 logG= -0.034382 TDE= -0.275183 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019468 tlogG= -0.016061 logG= -0.035529 Density= 0.299725 ETOT(band)= 0.017232 trlgG= -0.023315 logG= -0.035529 TDE= -0.277336 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009737 tlogG= -0.006728 logG= -0.016465 Density= 0.147388 ETOT(band)= 0.007511 trlgG= -0.011447 logG= -0.016465 TDE= -0.137366 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009490 tlogG= -0.007364 logG= -0.016854 Density= 0.136030 ETOT(band)= -0.002285 trlgG= -0.021361 logG= -0.016854 TDE= -0.135919 logGD-logG0= -0.003145 tlogG= -0.002551 logG= -0.005696 Density= 0.045413 ETOT(band)= -0.000484 trlgG= -0.006838 logG= -0.005696 TDE= -0.045013 logGD-logG0= -0.003163 tlogG= -0.002524 logG= -0.005687 logGD-logG0= -0.003117 tlogG= -0.002605 logG= -0.005723 Density= 0.045705 ETOT(band)= 0.000042 trlgG= -0.006261 logG= -0.005723 TDE= -0.044692 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.045165 ETOT(band)= -0.000905 trlgG= -0.007324 logG= -0.005687 TDE= -0.045268 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009497 tlogG= -0.007449 logG= -0.016946 Density= 0.136169 ETOT(band)= -0.002331 trlgG= -0.021481 logG= -0.016946 TDE= -0.136081 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009476 tlogG= -0.007294 logG= -0.016770 Density= 0.136079 ETOT(band)= -0.001892 trlgG= -0.020857 logG= -0.016770 TDE= -0.135545 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009505 tlogG= -0.006668 logG= -0.016172 Density= 0.137494 ETOT(band)= -0.000743 trlgG= -0.019204 logG= -0.016172 TDE= -0.135857 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009797 tlogG= -0.007232 logG= -0.017029 Density= 0.147534 ETOT(band)= 0.008011 trlgG= -0.011526 logG= -0.017029 TDE= -0.137022 logGD-logG0= -0.009800 tlogG= -0.006538 logG= -0.016338 Density= 0.143389 ETOT(band)= 0.004109 trlgG= -0.014565 logG= -0.016338 TDE= -0.136747 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009742 tlogG= -0.007646 logG= -0.017389 Density= 0.148580 ETOT(band)= 0.009321 trlgG= -0.010572 logG= -0.017389 TDE= -0.136719 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009511 tlogG= -0.006637 logG= -0.016148 logGD-logG0= -0.009419 tlogG= -0.007366 logG= -0.016785 Density= 0.136788 ETOT(band)= -0.000554 trlgG= -0.019294 logG= -0.016785 TDE= -0.134653 Density= 0.137443 ETOT(band)= -0.000715 trlgG= -0.019183 logG= -0.016148 TDE= -0.135812 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009599 tlogG= -0.006386 logG= -0.015985 Density= 0.140391 ETOT(band)= 0.002388 trlgG= -0.015904 logG= -0.015985 TDE= -0.135544 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009495 tlogG= -0.006851 logG= -0.016346 logGD-logG0= -0.009441 tlogG= -0.006837 logG= -0.016278 Density= 0.138706 ETOT(band)= 0.001551 trlgG= -0.016922 logG= -0.016278 TDE= -0.134641 logGD-logG0= -0.009455 tlogG= -0.007326 logG= -0.016781 Density= 0.136318 ETOT(band)= -0.001478 trlgG= -0.020371 logG= -0.016781 TDE= -0.135280 Density= 0.138077 ETOT(band)= 0.000205 trlgG= -0.018214 logG= -0.016346 TDE= -0.135257 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009560 tlogG= -0.005953 logG= -0.015514 logGD-logG0= -0.009476 tlogG= -0.006536 logG= -0.016011 Density= 0.137917 ETOT(band)= -0.000213 trlgG= -0.017999 logG= -0.015514 TDE= -0.135720 Density= 0.137213 ETOT(band)= -0.000530 trlgG= -0.018785 logG= -0.016011 TDE= -0.135328 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004802 tlogG= -0.003092 logG= -0.007894 Density= 0.067309 ETOT(band)= -0.002044 trlgG= -0.011024 logG= -0.007894 TDE= -0.068155 logGD-logG0= -0.004804 tlogG= -0.002573 logG= -0.007376 Density= 0.065591 ETOT(band)= -0.002990 trlgG= -0.011379 logG= -0.007376 TDE= -0.067367 logGD-logG0= -0.009688 tlogG= -0.006623 logG= -0.016310 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.143949 ETOT(band)= 0.006140 trlgG= -0.012453 logG= -0.016310 TDE= -0.135205 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009539 tlogG= -0.005633 logG= -0.015171 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136798 ETOT(band)= -0.000787 trlgG= -0.018261 logG= -0.015171 TDE= -0.135244 logGD-logG0= -0.009588 tlogG= -0.005620 logG= -0.015209 logGD-logG0= -0.009607 tlogG= -0.006016 logG= -0.015623 Density= 0.133432 ETOT(band)= -0.004470 trlgG= -0.021751 logG= -0.015209 TDE= -0.135445 Density= 0.135481 ETOT(band)= -0.002900 trlgG= -0.020694 logG= -0.015623 TDE= -0.135953 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019642 tlogG= -0.012847 logG= -0.032489 Density= 0.287560 ETOT(band)= 0.008491 trlgG= -0.028790 logG= -0.032489 TDE= -0.274099 logGD-logG0= -0.009497 tlogG= -0.006861 logG= -0.016359 Density= 0.137045 ETOT(band)= -0.001257 trlgG= -0.019925 logG= -0.016359 TDE= -0.135959 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019098 tlogG= -0.012006 logG= -0.031104 Density= 0.277703 ETOT(band)= 0.001668 trlgG= -0.034070 logG= -0.031104 TDE= -0.271241 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009574 tlogG= -0.006156 logG= -0.015730 Density= 0.138524 ETOT(band)= 0.000356 trlgG= -0.017578 logG= -0.015730 TDE= -0.135669 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009812 tlogG= -0.006598 logG= -0.016410 Density= 0.144561 ETOT(band)= 0.004749 trlgG= -0.014111 logG= -0.016410 TDE= -0.137354 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019191 tlogG= -0.010863 logG= -0.030055 logGD-logG0= -0.019113 tlogG= -0.012159 logG= -0.031272 Density= 0.278044 ETOT(band)= 0.001707 trlgG= -0.034226 logG= -0.031272 TDE= -0.271558 Density= 0.271759 ETOT(band)= -0.003880 trlgG= -0.038487 logG= -0.030055 TDE= -0.270964 logGD-logG0= -0.019009 tlogG= -0.012409 logG= -0.031417 Density= 0.278645 ETOT(band)= 0.004029 trlgG= -0.032121 logG= -0.031417 TDE= -0.269888 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018982 tlogG= -0.013722 logG= -0.032704 Density= 0.274241 ETOT(band)= -0.001910 trlgG= -0.039107 logG= -0.032704 TDE= -0.271333 logGD-logG0= -0.018907 tlogG= -0.013773 logG= -0.032680 Density= 0.274876 ETOT(band)= -0.000126 trlgG= -0.036924 logG= -0.032680 TDE= -0.269788 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019216 tlogG= -0.011485 logG= -0.030701 Density= 0.275511 ETOT(band)= -0.000829 trlgG= -0.035982 logG= -0.030701 TDE= -0.271438 logGD-logG0= -0.019245 tlogG= -0.010193 logG= -0.029438 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019083 tlogG= -0.012305 logG= -0.031389 Density= 0.277715 ETOT(band)= 0.001960 trlgG= -0.033907 logG= -0.031389 TDE= -0.270805 Density= 0.266098 ETOT(band)= -0.008444 trlgG= -0.042258 logG= -0.029438 TDE= -0.269884 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019368 tlogG= -0.012123 logG= -0.031490 Density= 0.282368 ETOT(band)= 0.005618 trlgG= -0.030541 logG= -0.031490 TDE= -0.271832 logGD-logG0= -0.004893 tlogG= -0.003617 logG= -0.008510 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.074604 ETOT(band)= 0.004329 trlgG= -0.005414 logG= -0.008510 TDE= -0.068975 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019302 tlogG= -0.010526 logG= -0.029828 Density= 0.279845 ETOT(band)= 0.004222 trlgG= -0.030164 logG= -0.029828 TDE= -0.270680 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019616 tlogG= -0.012934 logG= -0.032550 Density= 0.290667 ETOT(band)= 0.013812 trlgG= -0.023420 logG= -0.032550 TDE= -0.271669 logGD-logG0= -0.009611 tlogG= -0.005449 logG= -0.015060 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.132940 ETOT(band)= -0.004914 trlgG= -0.021997 logG= -0.015060 TDE= -0.135364 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019006 tlogG= -0.011687 logG= -0.030693 Density= 0.276172 ETOT(band)= 0.001459 trlgG= -0.033720 logG= -0.030693 TDE= -0.269824 logGD-logG0= -0.009700 tlogG= -0.004833 logG= -0.014533 Density= 0.132363 ETOT(band)= -0.004922 trlgG= -0.021823 logG= -0.014533 TDE= -0.135159 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019239 tlogG= -0.011671 logG= -0.030910 Density= 0.269260 ETOT(band)= -0.007522 trlgG= -0.042783 logG= -0.030910 TDE= -0.271992 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019487 tlogG= -0.011940 logG= -0.031427 Density= 0.281553 ETOT(band)= 0.003527 trlgG= -0.032552 logG= -0.031427 TDE= -0.273119 logGD-logG0= -0.009683 tlogG= -0.005237 logG= -0.014920 Density= 0.140735 ETOT(band)= 0.002637 trlgG= -0.014608 logG= -0.014920 TDE= -0.135645 logGD-logG0= -0.019272 tlogG= -0.010622 logG= -0.029894 Density= 0.272900 ETOT(band)= -0.003361 trlgG= -0.037643 logG= -0.029894 TDE= -0.271384 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019400 tlogG= -0.011179 logG= -0.030580 Density= 0.279592 ETOT(band)= 0.002965 trlgG= -0.032291 logG= -0.030580 TDE= -0.271811 logGD-logG0= -0.019215 tlogG= -0.010612 logG= -0.029827 Density= 0.277060 ETOT(band)= 0.002412 trlgG= -0.032368 logG= -0.029827 TDE= -0.270195 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009815 tlogG= -0.006069 logG= -0.015884 Density= 0.144852 ETOT(band)= 0.006201 trlgG= -0.012038 logG= -0.015884 TDE= -0.136088 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000389 tlogG= 0.008690 logG= 0.008301 Density= 0.005694 ETOT(band)= -0.000006 trlgG= 0.008216 logG= 0.008301 TDE= -0.005586 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019294 tlogG= -0.010097 logG= -0.029391 Density= 0.268886 ETOT(band)= -0.006554 trlgG= -0.040312 logG= -0.029391 TDE= -0.270677 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009619 tlogG= -0.005492 logG= -0.015111 Density= 0.135581 ETOT(band)= -0.002639 trlgG= -0.019815 logG= -0.015111 TDE= -0.135682 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009626 tlogG= -0.005282 logG= -0.014909 Density= 0.136928 ETOT(band)= -0.001139 trlgG= -0.018285 logG= -0.014909 TDE= -0.135656 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004813 tlogG= -0.002665 logG= -0.007479 Density= 0.068502 ETOT(band)= -0.000589 trlgG= -0.009179 logG= -0.007479 TDE= -0.067877 logGD-logG0= -0.009603 tlogG= -0.005144 logG= -0.014747 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136198 ETOT(band)= -0.001738 trlgG= -0.018579 logG= -0.014747 TDE= -0.135406 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002446 tlogG= -0.001892 logG= -0.004337 Density= 0.036986 ETOT(band)= 0.002366 trlgG= -0.002567 logG= -0.004337 TDE= -0.033960 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009416 tlogG= -0.007764 logG= -0.017180 Density= 0.138143 ETOT(band)= 0.001348 trlgG= -0.017725 logG= -0.017180 TDE= -0.133998 logGD-logG0= -0.002393 tlogG= -0.001982 logG= -0.004375 Density= 0.035862 ETOT(band)= 0.001549 trlgG= -0.003367 logG= -0.004375 TDE= -0.033636 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002343 tlogG= -0.002350 logG= -0.004693 Density= 0.034801 ETOT(band)= 0.000582 trlgG= -0.004605 logG= -0.004693 TDE= -0.033531 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009465 tlogG= -0.007409 logG= -0.016874 Density= 0.137036 ETOT(band)= -0.000001 trlgG= -0.018787 logG= -0.016874 TDE= -0.134297 logGD-logG0= -0.009481 tlogG= -0.007364 logG= -0.016845 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.140962 ETOT(band)= 0.004103 trlgG= -0.014969 logG= -0.016845 TDE= -0.134300 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009735 tlogG= -0.007238 logG= -0.016973 Density= 0.145271 ETOT(band)= 0.007696 trlgG= -0.011489 logG= -0.016973 TDE= -0.134855 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009398 tlogG= -0.007995 logG= -0.017393 Density= 0.138432 ETOT(band)= 0.001748 trlgG= -0.017544 logG= -0.017393 TDE= -0.133883 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004698 tlogG= -0.004034 logG= -0.008732 Density= 0.069800 ETOT(band)= 0.001452 trlgG= -0.008290 logG= -0.008732 TDE= -0.066988 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009463 tlogG= -0.006911 logG= -0.016374 Density= 0.139043 ETOT(band)= 0.002510 trlgG= -0.016047 logG= -0.016374 TDE= -0.133995 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009517 tlogG= -0.006365 logG= -0.015882 Density= 0.136951 ETOT(band)= 0.000116 trlgG= -0.017952 logG= -0.015882 TDE= -0.134372 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009430 tlogG= -0.008465 logG= -0.017895 Density= 0.140759 ETOT(band)= 0.003834 trlgG= -0.016151 logG= -0.017895 TDE= -0.134236 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009616 tlogG= -0.005339 logG= -0.014955 Density= 0.134503 ETOT(band)= -0.002239 trlgG= -0.019431 logG= -0.014955 TDE= -0.134412 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004786 tlogG= -0.002838 logG= -0.007624 Density= 0.068564 ETOT(band)= 0.000403 trlgG= -0.008424 logG= -0.007624 TDE= -0.067037 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018835 tlogG= -0.015819 logG= -0.034654 Density= 0.279971 ETOT(band)= 0.006440 trlgG= -0.032368 logG= -0.034654 TDE= -0.268180 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009684 tlogG= -0.004970 logG= -0.014654 Density= 0.132025 ETOT(band)= -0.004541 trlgG= -0.021581 logG= -0.014654 TDE= -0.134469 logGD-logG0= -0.009363 tlogG= -0.009068 logG= -0.018431 Density= 0.139304 ETOT(band)= 0.002451 trlgG= -0.017920 logG= -0.018431 TDE= -0.134064 logGD-logG0= -0.018942 tlogG= -0.014011 logG= -0.032953 Density= 0.276808 ETOT(band)= 0.003287 trlgG= -0.033947 logG= -0.032953 TDE= -0.268405 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019188 tlogG= -0.013322 logG= -0.032510 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.285220 ETOT(band)= 0.011016 trlgG= -0.026252 logG= -0.032510 TDE= -0.269279 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009824 tlogG= -0.006819 logG= -0.016642 Density= 0.146120 ETOT(band)= 0.008145 trlgG= -0.010888 logG= -0.016642 TDE= -0.135405 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009531 tlogG= -0.007573 logG= -0.017104 Density= 0.142637 ETOT(band)= 0.005591 trlgG= -0.013729 logG= -0.017104 TDE= -0.134419 logGD-logG0= -0.009697 tlogG= -0.005739 logG= -0.015436 Density= 0.142280 ETOT(band)= 0.005117 trlgG= -0.012873 logG= -0.015436 TDE= -0.134887 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019097 tlogG= -0.011749 logG= -0.030846 Density= 0.276820 ETOT(band)= 0.003576 trlgG= -0.032110 logG= -0.030846 TDE= -0.268686 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009500 tlogG= -0.006703 logG= -0.016203 Density= 0.140757 ETOT(band)= 0.004148 trlgG= -0.014394 logG= -0.016203 TDE= -0.134169 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003122 tlogG= 0.069925 logG= 0.066803 Density= 0.046055 ETOT(band)= 0.000432 trlgG= 0.066630 logG= 0.066803 TDE= -0.044664 logGD-logG0= -0.003140 tlogG= 0.070322 logG= 0.067182 Density= 0.046134 ETOT(band)= 0.000540 trlgG= 0.067122 logG= 0.067182 TDE= -0.044627 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002336 tlogG= 0.052252 logG= 0.049916 Density= 0.034325 ETOT(band)= 0.000117 trlgG= 0.049563 logG= 0.049916 TDE= -0.033513 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003114 tlogG= 0.069644 logG= 0.066530 Density= 0.045676 ETOT(band)= 0.000084 trlgG= 0.065975 logG= 0.066530 TDE= -0.044681 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004672 tlogG= 0.104713 logG= 0.100041 Density= 0.068911 ETOT(band)= 0.000485 trlgG= 0.099600 logG= 0.100041 TDE= -0.067013 logGD-logG0= -0.009413 tlogG= 0.210843 logG= 0.201429 Density= 0.139078 ETOT(band)= 0.002260 trlgG= 0.201778 logG= 0.201429 TDE= -0.134007 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009359 tlogG= 0.209787 logG= 0.200427 Density= 0.138149 ETOT(band)= 0.001342 trlgG= 0.199870 logG= 0.200427 TDE= -0.134016 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009394 tlogG= 0.210484 logG= 0.201090 Density= 0.138698 ETOT(band)= 0.001915 trlgG= 0.201120 logG= 0.201090 TDE= -0.133959 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.84685342152559 eV TrLogG= -11.6444706440367 eV Ratio to renormalize= 0.999999999885 rho-rho_expected= 0.000000001846 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 30) Finished k-point number 31 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 71) Finished k-point number 72 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 74) Finished k-point number 75 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 88) Finished k-point number 89 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 56) Finished k-point number 57 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 62) Finished k-point number 63 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933117173713046 0.929830725531563 7) Finished k-point number 8 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 20) Finished k-point number 21 1 with #bands= 26 87) Finished k-point number 88 1 with #bands= 18 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 76) Finished k-point number 77 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 41) Finished k-point number 42 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1437771800098 Density= 15.9997283134724 16.0000000000000 EF 13.4158910121234 Density= 16.5091647752728 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98604989 0.96604989 0.509165 -0.271687E-03 1 0.97604989 0.96604991 0.263354 -0.271687E-03 2 0.97104990 0.96605014 0.134574 -0.271686E-03 3 0.96855002 0.96604979 0.680262E-01 -0.271687E-03 4 0.96729990 0.96604996 0.341117E-01 -0.271686E-03 5 0.96667493 0.96605011 0.169824E-01 -0.271686E-03 6 0.96636252 0.96604980 0.837410E-02 -0.271686E-03 7 0.96620616 0.96604972 0.405390E-02 -0.271686E-03 8 0.96612794 0.96604976 0.188970E-02 -0.271686E-03 9 0.96608885 0.96604974 0.807413E-03 -0.271687E-03 10 0.96606929 0.96604975 0.265802E-03 -0.271687E-03 11 0.96605965 0.96606929 -0.143214E-05 0.265802E-03 12 0.96605970 0.96605965 0.812221E-10 -0.143214E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0001334271 EF set to : 13.1439106071 new EF (no-mixing): 13.1439106071 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001217 tlogG= -0.001258 logG= -0.002474 Density= 0.018875 ETOT(band)= 0.000999 trlgG= -0.001769 logG= -0.002474 TDE= -0.017529 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009712 tlogG= -0.009600 logG= -0.019312 Density= 0.150901 ETOT(band)= 0.008251 trlgG= -0.013422 logG= -0.019312 TDE= -0.139889 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002426 tlogG= -0.002421 logG= -0.004848 Density= 0.037700 ETOT(band)= 0.002093 trlgG= -0.003349 logG= -0.004848 TDE= -0.034922 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004852 tlogG= -0.004655 logG= -0.009507 Density= 0.075427 ETOT(band)= 0.004208 trlgG= -0.006482 logG= -0.009507 TDE= -0.069842 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002431 tlogG= -0.002100 logG= -0.004531 Density= 0.037246 ETOT(band)= 0.002124 trlgG= -0.003056 logG= -0.004531 TDE= -0.034507 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009737 tlogG= -0.006773 logG= -0.016509 Density= 0.145232 ETOT(band)= 0.005283 trlgG= -0.013698 logG= -0.016509 TDE= -0.137492 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009735 tlogG= -0.008140 logG= -0.017875 Density= 0.149791 ETOT(band)= 0.008661 trlgG= -0.011723 logG= -0.017875 TDE= -0.138555 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001584 tlogG= -0.001314 logG= -0.002898 Density= 0.022674 ETOT(band)= -0.000449 trlgG= -0.003691 logG= -0.002898 TDE= -0.022697 logGD-logG0= -0.009739 tlogG= -0.008745 logG= -0.018484 Density= 0.149942 ETOT(band)= 0.008690 trlgG= -0.012310 logG= -0.018484 TDE= -0.138680 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004870 tlogG= -0.004233 logG= -0.009103 Density= 0.075068 ETOT(band)= 0.004225 trlgG= -0.006134 logG= -0.009103 TDE= -0.069551 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009748 tlogG= -0.008876 logG= -0.018624 Density= 0.150404 ETOT(band)= 0.008694 trlgG= -0.012394 logG= -0.018624 TDE= -0.139070 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019468 tlogG= -0.016059 logG= -0.035526 Density= 0.299720 ETOT(band)= 0.017230 trlgG= -0.023316 logG= -0.035526 TDE= -0.277336 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009737 tlogG= -0.006728 logG= -0.016464 Density= 0.147384 ETOT(band)= 0.007509 trlgG= -0.011449 logG= -0.016464 TDE= -0.137366 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003163 tlogG= -0.002524 logG= -0.005687 Density= 0.045164 ETOT(band)= -0.000905 trlgG= -0.007323 logG= -0.005687 TDE= -0.045268 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003145 tlogG= -0.002550 logG= -0.005695 Density= 0.045413 ETOT(band)= -0.000484 trlgG= -0.006838 logG= -0.005695 TDE= -0.045013 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003118 tlogG= -0.002605 logG= -0.005723 Density= 0.045705 ETOT(band)= 0.000043 trlgG= -0.006261 logG= -0.005723 TDE= -0.044692 logGD-logG0= -0.019435 tlogG= -0.014945 logG= -0.034379 Density= 0.298284 ETOT(band)= 0.017876 trlgG= -0.021402 logG= -0.034379 TDE= -0.275183 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009490 tlogG= -0.007365 logG= -0.016854 Density= 0.136028 ETOT(band)= -0.002284 trlgG= -0.021361 logG= -0.016854 TDE= -0.135918 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009496 tlogG= -0.007447 logG= -0.016944 Density= 0.136168 ETOT(band)= -0.002331 trlgG= -0.021478 logG= -0.016944 TDE= -0.136081 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009419 tlogG= -0.007365 logG= -0.016785 Density= 0.136788 ETOT(band)= -0.000553 trlgG= -0.019293 logG= -0.016785 TDE= -0.134653 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009797 tlogG= -0.007231 logG= -0.017028 Density= 0.147531 ETOT(band)= 0.008010 trlgG= -0.011527 logG= -0.017028 TDE= -0.137022 logGD-logG0= -0.009476 tlogG= -0.007294 logG= -0.016770 Density= 0.136078 ETOT(band)= -0.001890 trlgG= -0.020856 logG= -0.016770 TDE= -0.135545 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009742 tlogG= -0.007646 logG= -0.017388 Density= 0.148577 ETOT(band)= 0.009321 trlgG= -0.010573 logG= -0.017388 TDE= -0.136719 logGD-logG0= -0.009504 tlogG= -0.006667 logG= -0.016170 Density= 0.137492 ETOT(band)= -0.000744 trlgG= -0.019202 logG= -0.016170 TDE= -0.135857 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009599 tlogG= -0.006385 logG= -0.015985 Density= 0.140392 ETOT(band)= 0.002392 trlgG= -0.015901 logG= -0.015985 TDE= -0.135544 logGD-logG0= -0.009800 tlogG= -0.006536 logG= -0.016336 Density= 0.143385 ETOT(band)= 0.004107 trlgG= -0.014565 logG= -0.016336 TDE= -0.136748 logGD-logG0= -0.004802 tlogG= -0.003092 logG= -0.007894 Density= 0.067310 ETOT(band)= -0.002042 trlgG= -0.011023 logG= -0.007894 TDE= -0.068155 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009560 tlogG= -0.005953 logG= -0.015512 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137918 ETOT(band)= -0.000211 trlgG= -0.017996 logG= -0.015512 TDE= -0.135720 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009494 tlogG= -0.006850 logG= -0.016344 Density= 0.138076 ETOT(band)= 0.000205 trlgG= -0.018211 logG= -0.016344 TDE= -0.135257 logGD-logG0= -0.004804 tlogG= -0.002573 logG= -0.007378 Density= 0.065598 ETOT(band)= -0.002982 trlgG= -0.011372 logG= -0.007378 TDE= -0.067366 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009590 tlogG= -0.005621 logG= -0.015211 Density= 0.133426 ETOT(band)= -0.004473 trlgG= -0.021758 logG= -0.015211 TDE= -0.135444 logGD-logG0= -0.009687 tlogG= -0.006621 logG= -0.016308 Density= 0.143946 ETOT(band)= 0.006138 trlgG= -0.012453 logG= -0.016308 TDE= -0.135205 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009539 tlogG= -0.005634 logG= -0.015173 Density= 0.136801 ETOT(band)= -0.000782 trlgG= -0.018258 logG= -0.015173 TDE= -0.135244 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009497 tlogG= -0.006862 logG= -0.016358 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009441 tlogG= -0.006838 logG= -0.016280 Density= 0.137042 ETOT(band)= -0.001259 trlgG= -0.019926 logG= -0.016358 TDE= -0.135959 Density= 0.138705 ETOT(band)= 0.001552 trlgG= -0.016923 logG= -0.016280 TDE= -0.134641 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009573 tlogG= -0.006155 logG= -0.015728 Density= 0.138522 ETOT(band)= 0.000357 trlgG= -0.017575 logG= -0.015728 TDE= -0.135669 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019009 tlogG= -0.012409 logG= -0.031417 Density= 0.278643 ETOT(band)= 0.004031 trlgG= -0.032119 logG= -0.031417 TDE= -0.269888 logGD-logG0= -0.009811 tlogG= -0.006598 logG= -0.016409 Density= 0.144557 ETOT(band)= 0.004747 trlgG= -0.014112 logG= -0.016409 TDE= -0.137354 logGD-logG0= -0.018981 tlogG= -0.013721 logG= -0.032703 Density= 0.274239 ETOT(band)= -0.001909 trlgG= -0.039104 logG= -0.032703 TDE= -0.271333 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019641 tlogG= -0.012845 logG= -0.032486 Density= 0.287555 ETOT(band)= 0.008489 trlgG= -0.028790 logG= -0.032486 TDE= -0.274099 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004893 tlogG= -0.003617 logG= -0.008510 Density= 0.074603 ETOT(band)= 0.004328 trlgG= -0.005414 logG= -0.008510 TDE= -0.068975 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019217 tlogG= -0.011484 logG= -0.030701 Density= 0.275511 ETOT(band)= -0.000826 trlgG= -0.035979 logG= -0.030701 TDE= -0.271438 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019083 tlogG= -0.012314 logG= -0.031396 Density= 0.277708 ETOT(band)= 0.001955 trlgG= -0.033918 logG= -0.031396 TDE= -0.270804 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019299 tlogG= -0.010531 logG= -0.029830 Density= 0.279854 ETOT(band)= 0.004234 trlgG= -0.030154 logG= -0.029830 TDE= -0.270680 logGD-logG0= -0.018911 tlogG= -0.013771 logG= -0.032682 Density= 0.274878 ETOT(band)= -0.000117 trlgG= -0.036921 logG= -0.032682 TDE= -0.269788 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000389 tlogG= 0.008690 logG= 0.008301 logGD-logG0= -0.009701 tlogG= -0.004835 logG= -0.014536 Density= 0.132370 ETOT(band)= -0.004913 trlgG= -0.021818 logG= -0.014536 TDE= -0.135159 Density= 0.005694 ETOT(band)= -0.000006 trlgG= 0.008216 logG= 0.008301 TDE= -0.005586 logGD-logG0= -0.009455 tlogG= -0.007326 logG= -0.016781 Density= 0.136317 ETOT(band)= -0.001477 trlgG= -0.020371 logG= -0.016781 TDE= -0.135280 logGD-logG0= -0.009512 tlogG= -0.006636 logG= -0.016148 Density= 0.137442 ETOT(band)= -0.000713 trlgG= -0.019182 logG= -0.016148 TDE= -0.135812 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019367 tlogG= -0.012122 logG= -0.031489 Density= 0.282365 ETOT(band)= 0.005619 trlgG= -0.030539 logG= -0.031489 TDE= -0.271832 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019488 tlogG= -0.011940 logG= -0.031429 logGD-logG0= -0.019616 tlogG= -0.012932 logG= -0.032548 Density= 0.281561 ETOT(band)= 0.003539 trlgG= -0.032543 logG= -0.031429 TDE= -0.273119 Density= 0.290666 ETOT(band)= 0.013814 trlgG= -0.023417 logG= -0.032548 TDE= -0.271670 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009815 tlogG= -0.006068 logG= -0.015884 Density= 0.144850 ETOT(band)= 0.006200 trlgG= -0.012038 logG= -0.015884 TDE= -0.136088 logGD-logG0= -0.009610 tlogG= -0.005449 logG= -0.015058 Density= 0.132936 ETOT(band)= -0.004917 trlgG= -0.021998 logG= -0.015058 TDE= -0.135364 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019241 tlogG= -0.011672 logG= -0.030913 Density= 0.269260 ETOT(band)= -0.007517 trlgG= -0.042783 logG= -0.030913 TDE= -0.271991 logGD-logG0= -0.009476 tlogG= -0.006535 logG= -0.016011 Density= 0.137212 ETOT(band)= -0.000529 trlgG= -0.018784 logG= -0.016011 TDE= -0.135328 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019216 tlogG= -0.010611 logG= -0.029828 Density= 0.277061 ETOT(band)= 0.002417 trlgG= -0.032365 logG= -0.029828 TDE= -0.270195 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019405 tlogG= -0.011188 logG= -0.030592 Density= 0.279674 ETOT(band)= 0.003046 trlgG= -0.032222 logG= -0.030592 TDE= -0.271811 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019294 tlogG= -0.010097 logG= -0.029391 Density= 0.268885 ETOT(band)= -0.006552 trlgG= -0.040310 logG= -0.029391 TDE= -0.270677 logGD-logG0= -0.019271 tlogG= -0.010620 logG= -0.029890 Density= 0.272900 ETOT(band)= -0.003358 trlgG= -0.037637 logG= -0.029890 TDE= -0.271384 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009603 tlogG= -0.005142 logG= -0.014745 Density= 0.136196 ETOT(band)= -0.001738 trlgG= -0.018578 logG= -0.014745 TDE= -0.135406 logGD-logG0= -0.004813 tlogG= -0.002665 logG= -0.007478 Density= 0.068502 ETOT(band)= -0.000589 trlgG= -0.009178 logG= -0.007478 TDE= -0.067877 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009709 tlogG= -0.007884 logG= -0.017592 Density= 0.149275 ETOT(band)= 0.009196 trlgG= -0.010895 logG= -0.017592 TDE= -0.137512 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009626 tlogG= -0.005282 logG= -0.014908 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.136928 ETOT(band)= -0.001138 trlgG= -0.018283 logG= -0.014908 TDE= -0.135656 logGD-logG0= -0.009619 tlogG= -0.005491 logG= -0.015110 Density= 0.135579 ETOT(band)= -0.002639 trlgG= -0.019814 logG= -0.015110 TDE= -0.135681 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019094 tlogG= -0.011999 logG= -0.031093 Density= 0.277689 ETOT(band)= 0.001656 trlgG= -0.034070 logG= -0.031093 TDE= -0.271241 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009607 tlogG= -0.006016 logG= -0.015623 Density= 0.135481 ETOT(band)= -0.002898 trlgG= -0.020693 logG= -0.015623 TDE= -0.135953 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002445 tlogG= -0.001891 logG= -0.004337 Density= 0.036985 ETOT(band)= 0.002366 trlgG= -0.002567 logG= -0.004337 TDE= -0.033960 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009416 tlogG= -0.007763 logG= -0.017179 Density= 0.138143 ETOT(band)= 0.001350 trlgG= -0.017723 logG= -0.017179 TDE= -0.133997 logGD-logG0= -0.019008 tlogG= -0.011689 logG= -0.030697 Density= 0.276184 ETOT(band)= 0.001475 trlgG= -0.033710 logG= -0.030697 TDE= -0.269823 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009683 tlogG= -0.005237 logG= -0.014921 Density= 0.140737 ETOT(band)= 0.002640 trlgG= -0.014606 logG= -0.014921 TDE= -0.135645 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009464 tlogG= -0.007407 logG= -0.016871 Density= 0.137036 ETOT(band)= 0.000000 trlgG= -0.018783 logG= -0.016871 TDE= -0.134297 logGD-logG0= -0.002343 tlogG= -0.002350 logG= -0.004692 Density= 0.034801 ETOT(band)= 0.000582 trlgG= -0.004604 logG= -0.004692 TDE= -0.033531 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009398 tlogG= -0.007994 logG= -0.017393 Density= 0.138432 ETOT(band)= 0.001750 trlgG= -0.017542 logG= -0.017393 TDE= -0.133883 logGD-logG0= -0.009481 tlogG= -0.007363 logG= -0.016844 Density= 0.140962 ETOT(band)= 0.004105 trlgG= -0.014967 logG= -0.016844 TDE= -0.134300 logGD-logG0= -0.009735 tlogG= -0.007237 logG= -0.016972 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.145269 ETOT(band)= 0.007697 trlgG= -0.011488 logG= -0.016972 TDE= -0.134855 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019244 tlogG= -0.010194 logG= -0.029438 Density= 0.266111 ETOT(band)= -0.008428 trlgG= -0.042244 logG= -0.029438 TDE= -0.269884 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009616 tlogG= -0.005339 logG= -0.014955 Density= 0.134500 ETOT(band)= -0.002240 trlgG= -0.019432 logG= -0.014955 TDE= -0.134412 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009516 tlogG= -0.006364 logG= -0.015880 Density= 0.136950 ETOT(band)= 0.000117 trlgG= -0.017950 logG= -0.015880 TDE= -0.134372 logGD-logG0= -0.004786 tlogG= -0.002837 logG= -0.007623 Density= 0.068563 ETOT(band)= 0.000402 trlgG= -0.008423 logG= -0.007623 TDE= -0.067037 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018835 tlogG= -0.015818 logG= -0.034652 logGD-logG0= -0.019113 tlogG= -0.012160 logG= -0.031273 Density= 0.279971 ETOT(band)= 0.006443 trlgG= -0.032364 logG= -0.034652 TDE= -0.268180 Density= 0.278038 ETOT(band)= 0.001704 trlgG= -0.034230 logG= -0.031273 TDE= -0.271558 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009429 tlogG= -0.008465 logG= -0.017894 Density= 0.140759 ETOT(band)= 0.003835 trlgG= -0.016149 logG= -0.017894 TDE= -0.134236 logGD-logG0= -0.009684 tlogG= -0.004970 logG= -0.014654 Density= 0.132030 ETOT(band)= -0.004534 trlgG= -0.021574 logG= -0.014654 TDE= -0.134469 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019188 tlogG= -0.013321 logG= -0.032509 Density= 0.285220 ETOT(band)= 0.011018 trlgG= -0.026249 logG= -0.032509 TDE= -0.269279 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009531 tlogG= -0.007573 logG= -0.017104 logGD-logG0= -0.009363 tlogG= -0.009067 logG= -0.018430 Density= 0.139303 ETOT(band)= 0.002453 trlgG= -0.017918 logG= -0.018430 TDE= -0.134063 Density= 0.142636 ETOT(band)= 0.005592 trlgG= -0.013727 logG= -0.017104 TDE= -0.134419 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018941 tlogG= -0.014010 logG= -0.032951 Density= 0.276807 ETOT(band)= 0.003288 trlgG= -0.033943 logG= -0.032951 TDE= -0.268404 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019096 tlogG= -0.011747 logG= -0.030843 Density= 0.276815 ETOT(band)= 0.003574 trlgG= -0.032109 logG= -0.030843 TDE= -0.268686 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009697 tlogG= -0.005739 logG= -0.015435 Density= 0.142280 ETOT(band)= 0.005119 trlgG= -0.012871 logG= -0.015435 TDE= -0.134887 logGD-logG0= -0.009824 tlogG= -0.006818 logG= -0.016642 Density= 0.146118 ETOT(band)= 0.008144 trlgG= -0.010888 logG= -0.016642 TDE= -0.135405 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004699 tlogG= -0.004037 logG= -0.008735 Density= 0.069798 ETOT(band)= 0.001451 trlgG= -0.008294 logG= -0.008735 TDE= -0.066988 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019193 tlogG= -0.010863 logG= -0.030057 Density= 0.271763 ETOT(band)= -0.003871 trlgG= -0.038482 logG= -0.030057 TDE= -0.270964 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009463 tlogG= -0.006910 logG= -0.016373 Density= 0.139042 ETOT(band)= 0.002510 trlgG= -0.016045 logG= -0.016373 TDE= -0.133995 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002393 tlogG= -0.001982 logG= -0.004375 Density= 0.035861 ETOT(band)= 0.001549 trlgG= -0.003367 logG= -0.004375 TDE= -0.033636 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009500 tlogG= -0.006705 logG= -0.016205 Density= 0.140759 ETOT(band)= 0.004152 trlgG= -0.014392 logG= -0.016205 TDE= -0.134169 logGD-logG0= -0.003114 tlogG= 0.069645 logG= 0.066531 Density= 0.045676 ETOT(band)= 0.000084 trlgG= 0.065976 logG= 0.066531 TDE= -0.044681 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003122 tlogG= 0.069926 logG= 0.066804 Density= 0.046054 ETOT(band)= 0.000432 trlgG= 0.066631 logG= 0.066804 TDE= -0.044664 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003140 tlogG= 0.070323 logG= 0.067183 Density= 0.046133 ETOT(band)= 0.000541 trlgG= 0.067124 logG= 0.067183 TDE= -0.044627 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002336 tlogG= 0.052252 logG= 0.049917 Density= 0.034325 ETOT(band)= 0.000118 trlgG= 0.049564 logG= 0.049917 TDE= -0.033513 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009413 tlogG= 0.210846 logG= 0.201433 Density= 0.139077 ETOT(band)= 0.002261 trlgG= 0.201783 logG= 0.201433 TDE= -0.134007 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009359 tlogG= 0.209789 logG= 0.200430 Density= 0.138148 ETOT(band)= 0.001343 trlgG= 0.199873 logG= 0.200430 TDE= -0.134016 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009393 tlogG= 0.210488 logG= 0.201095 Density= 0.138698 ETOT(band)= 0.001916 trlgG= 0.201126 logG= 0.201095 TDE= -0.133959 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004672 tlogG= 0.104715 logG= 0.100042 Density= 0.068911 ETOT(band)= 0.000486 trlgG= 0.099602 logG= 0.100042 TDE= -0.067013 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.84955397083084 eV TrLogG= -11.6416457346674 eV Ratio to renormalize= 0.999999999732 rho-rho_expected= 0.000000004284 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 90) Finished k-point number 91 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 88) Finished k-point number 89 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 91) Finished k-point number 92 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 83) Finished k-point number 84 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 95) Finished k-point number 96 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 77) Finished k-point number 78 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 97) Finished k-point number 98 1 with #bands= 20 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933071730209339 0.929869375644653 56) Finished k-point number 57 1 with #bands= 18 7) Finished k-point number 8 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 12) Finished k-point number 13 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 72) Finished k-point number 73 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 39) Finished k-point number 40 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 86) Finished k-point number 87 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1439106070724 Density= 16.0005962971690 16.0000000000000 EF 12.8717967749588 Density= 15.3652997740055 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96605970 0.94605970 0.596297E-03 -0.634700 1 0.96604092 0.94605970 0.763672E-04 -0.634700 2 0.96603817 0.96604092 -0.530994E-09 0.763672E-04 3 0.96603817 0.96603817 0.223908E-08 -0.530994E-09 4 0.96603817 0.96603817 0.223908E-08 -0.530994E-09 Absolute convergence of the X interval. Difference in EF= -0.0002929180 EF set to : 13.1436176891 new EF (no-mixing): 13.1436176891 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001217 tlogG= -0.001258 logG= -0.002474 Density= 0.018876 ETOT(band)= 0.000999 trlgG= -0.001769 logG= -0.002474 TDE= -0.017529 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009712 tlogG= -0.009600 logG= -0.019313 Density= 0.150903 ETOT(band)= 0.008251 trlgG= -0.013423 logG= -0.019313 TDE= -0.139888 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002426 tlogG= -0.002421 logG= -0.004848 Density= 0.037700 ETOT(band)= 0.002092 trlgG= -0.003349 logG= -0.004848 TDE= -0.034921 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004852 tlogG= -0.004655 logG= -0.009507 Density= 0.075427 ETOT(band)= 0.004207 trlgG= -0.006483 logG= -0.009507 TDE= -0.069842 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002431 tlogG= -0.002100 logG= -0.004531 Density= 0.037247 ETOT(band)= 0.002124 trlgG= -0.003056 logG= -0.004531 TDE= -0.034507 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009737 tlogG= -0.006772 logG= -0.016509 Density= 0.145232 ETOT(band)= 0.005280 trlgG= -0.013701 logG= -0.016509 TDE= -0.137491 logGD-logG0= -0.009740 tlogG= -0.008745 logG= -0.018484 Density= 0.149945 ETOT(band)= 0.008689 trlgG= -0.012311 logG= -0.018484 TDE= -0.138679 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009735 tlogG= -0.008140 logG= -0.017875 Density= 0.149792 ETOT(band)= 0.008659 trlgG= -0.011725 logG= -0.017875 TDE= -0.138555 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004870 tlogG= -0.004233 logG= -0.009104 Density= 0.075070 ETOT(band)= 0.004224 trlgG= -0.006134 logG= -0.009104 TDE= -0.069551 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001584 tlogG= -0.001314 logG= -0.002898 Density= 0.022675 ETOT(band)= -0.000449 trlgG= -0.003691 logG= -0.002898 TDE= -0.022697 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009709 tlogG= -0.007884 logG= -0.017592 Density= 0.149277 ETOT(band)= 0.009195 trlgG= -0.010896 logG= -0.017592 TDE= -0.137511 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009748 tlogG= -0.008876 logG= -0.018624 Density= 0.150406 ETOT(band)= 0.008692 trlgG= -0.012396 logG= -0.018624 TDE= -0.139069 logGD-logG0= -0.019435 tlogG= -0.014946 logG= -0.034380 Density= 0.298287 ETOT(band)= 0.017873 trlgG= -0.021405 logG= -0.034380 TDE= -0.275182 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019468 tlogG= -0.016059 logG= -0.035526 Density= 0.299723 ETOT(band)= 0.017228 trlgG= -0.023317 logG= -0.035526 TDE= -0.277335 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009737 tlogG= -0.006728 logG= -0.016465 Density= 0.147386 ETOT(band)= 0.007507 trlgG= -0.011450 logG= -0.016465 TDE= -0.137365 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003163 tlogG= -0.002525 logG= -0.005688 Density= 0.045165 ETOT(band)= -0.000905 trlgG= -0.007325 logG= -0.005688 TDE= -0.045268 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003118 tlogG= -0.002605 logG= -0.005723 Density= 0.045705 ETOT(band)= 0.000042 trlgG= -0.006262 logG= -0.005723 TDE= -0.044692 logGD-logG0= -0.009497 tlogG= -0.007449 logG= -0.016946 Density= 0.136169 ETOT(band)= -0.002332 trlgG= -0.021482 logG= -0.016946 TDE= -0.136080 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003145 tlogG= -0.002551 logG= -0.005696 Density= 0.045413 ETOT(band)= -0.000484 trlgG= -0.006839 logG= -0.005696 TDE= -0.045013 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009490 tlogG= -0.007365 logG= -0.016855 Density= 0.136029 ETOT(band)= -0.002286 trlgG= -0.021364 logG= -0.016855 TDE= -0.135918 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009419 tlogG= -0.007363 logG= -0.016782 Density= 0.136787 ETOT(band)= -0.000555 trlgG= -0.019293 logG= -0.016782 TDE= -0.134653 logGD-logG0= -0.009476 tlogG= -0.007293 logG= -0.016770 Density= 0.136078 ETOT(band)= -0.001893 trlgG= -0.020858 logG= -0.016770 TDE= -0.135545 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009504 tlogG= -0.006667 logG= -0.016171 Density= 0.137493 ETOT(band)= -0.000745 trlgG= -0.019205 logG= -0.016171 TDE= -0.135857 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009454 tlogG= -0.007326 logG= -0.016780 Density= 0.136317 ETOT(band)= -0.001480 trlgG= -0.020372 logG= -0.016780 TDE= -0.135280 logGD-logG0= -0.009797 tlogG= -0.007231 logG= -0.017028 Density= 0.147532 ETOT(band)= 0.008009 trlgG= -0.011528 logG= -0.017028 TDE= -0.137022 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009475 tlogG= -0.006533 logG= -0.016008 Density= 0.137210 ETOT(band)= -0.000533 trlgG= -0.018785 logG= -0.016008 TDE= -0.135327 logGD-logG0= -0.009800 tlogG= -0.006536 logG= -0.016336 Density= 0.143394 ETOT(band)= 0.004114 trlgG= -0.014559 logG= -0.016336 TDE= -0.136747 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009599 tlogG= -0.006386 logG= -0.015985 logGD-logG0= -0.009742 tlogG= -0.007646 logG= -0.017388 Density= 0.148578 ETOT(band)= 0.009319 trlgG= -0.010574 logG= -0.017388 TDE= -0.136718 Density= 0.140389 ETOT(band)= 0.002385 trlgG= -0.015907 logG= -0.015985 TDE= -0.135543 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009560 tlogG= -0.005954 logG= -0.015514 logGD-logG0= -0.009607 tlogG= -0.006016 logG= -0.015624 Density= 0.137917 ETOT(band)= -0.000215 trlgG= -0.018000 logG= -0.015514 TDE= -0.135719 Density= 0.135482 ETOT(band)= -0.002900 trlgG= -0.020695 logG= -0.015624 TDE= -0.135952 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009441 tlogG= -0.006838 logG= -0.016279 Density= 0.138705 ETOT(band)= 0.001549 trlgG= -0.016925 logG= -0.016279 TDE= -0.134641 logGD-logG0= -0.004802 tlogG= -0.003092 logG= -0.007894 Density= 0.067311 ETOT(band)= -0.002043 trlgG= -0.011023 logG= -0.007894 TDE= -0.068154 logGD-logG0= -0.009494 tlogG= -0.006852 logG= -0.016346 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138076 ETOT(band)= 0.000203 trlgG= -0.018215 logG= -0.016346 TDE= -0.135256 logGD-logG0= -0.009588 tlogG= -0.005621 logG= -0.015210 Density= 0.133433 ETOT(band)= -0.004470 trlgG= -0.021752 logG= -0.015210 TDE= -0.135444 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009687 tlogG= -0.006623 logG= -0.016310 Density= 0.143948 ETOT(band)= 0.006137 trlgG= -0.012455 logG= -0.016310 TDE= -0.135205 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009511 tlogG= -0.006635 logG= -0.016146 Density= 0.137443 ETOT(band)= -0.000715 trlgG= -0.019182 logG= -0.016146 TDE= -0.135811 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009539 tlogG= -0.005632 logG= -0.015171 Density= 0.136799 ETOT(band)= -0.000787 trlgG= -0.018261 logG= -0.015171 TDE= -0.135243 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009497 tlogG= -0.006860 logG= -0.016357 Density= 0.137044 ETOT(band)= -0.001259 trlgG= -0.019926 logG= -0.016357 TDE= -0.135958 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004804 tlogG= -0.002573 logG= -0.007377 Density= 0.065596 ETOT(band)= -0.002985 trlgG= -0.011375 logG= -0.007377 TDE= -0.067366 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019190 tlogG= -0.010862 logG= -0.030052 Density= 0.271766 ETOT(band)= -0.003875 trlgG= -0.038478 logG= -0.030052 TDE= -0.270963 logGD-logG0= -0.018980 tlogG= -0.013722 logG= -0.032702 Density= 0.274238 ETOT(band)= -0.001917 trlgG= -0.039109 logG= -0.032702 TDE= -0.271332 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019095 tlogG= -0.012005 logG= -0.031101 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.277685 ETOT(band)= 0.001648 trlgG= -0.034086 logG= -0.031101 TDE= -0.271240 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009573 tlogG= -0.006156 logG= -0.015729 Density= 0.138523 ETOT(band)= 0.000355 trlgG= -0.017579 logG= -0.015729 TDE= -0.135668 logGD-logG0= -0.009812 tlogG= -0.006598 logG= -0.016410 Density= 0.144556 ETOT(band)= 0.004744 trlgG= -0.014116 logG= -0.016410 TDE= -0.137353 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019367 tlogG= -0.012120 logG= -0.031487 Density= 0.282357 ETOT(band)= 0.005605 trlgG= -0.030550 logG= -0.031487 TDE= -0.271830 logGD-logG0= -0.019246 tlogG= -0.010197 logG= -0.029443 Density= 0.266117 ETOT(band)= -0.008427 trlgG= -0.042246 logG= -0.029443 TDE= -0.269883 logGD-logG0= -0.019219 tlogG= -0.011490 logG= -0.030709 Density= 0.275505 ETOT(band)= -0.000836 trlgG= -0.035998 logG= -0.030709 TDE= -0.271437 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019112 tlogG= -0.012154 logG= -0.031266 Density= 0.278038 ETOT(band)= 0.001698 trlgG= -0.034228 logG= -0.031266 TDE= -0.271557 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019082 tlogG= -0.012305 logG= -0.031387 logGD-logG0= -0.009703 tlogG= -0.004836 logG= -0.014540 Density= 0.277715 ETOT(band)= 0.001958 trlgG= -0.033907 logG= -0.031387 TDE= -0.270803 logGD-logG0= -0.004893 tlogG= -0.003617 logG= -0.008510 Density= 0.074603 ETOT(band)= 0.004328 trlgG= -0.005415 logG= -0.008510 TDE= -0.068975 Density= 0.132368 ETOT(band)= -0.004916 trlgG= -0.021825 logG= -0.014540 TDE= -0.135158 logGD-logG0= -0.019642 tlogG= -0.012847 logG= -0.032489 Density= 0.287551 ETOT(band)= 0.008481 trlgG= -0.028801 logG= -0.032489 TDE= -0.274098 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019616 tlogG= -0.012934 logG= -0.032550 Density= 0.290674 ETOT(band)= 0.013816 trlgG= -0.023416 logG= -0.032550 TDE= -0.271668 logGD-logG0= -0.019008 tlogG= -0.012407 logG= -0.031415 Density= 0.278645 ETOT(band)= 0.004027 trlgG= -0.032120 logG= -0.031415 TDE= -0.269887 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000389 tlogG= 0.008690 logG= 0.008301 Density= 0.005694 ETOT(band)= -0.000006 trlgG= 0.008215 logG= 0.008301 TDE= -0.005586 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019007 tlogG= -0.011689 logG= -0.030696 Density= 0.276175 ETOT(band)= 0.001460 trlgG= -0.033723 logG= -0.030696 TDE= -0.269822 logGD-logG0= -0.019302 tlogG= -0.010529 logG= -0.029830 Density= 0.279847 ETOT(band)= 0.004223 trlgG= -0.030166 logG= -0.029830 TDE= -0.270679 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009610 tlogG= -0.005448 logG= -0.015057 Density= 0.132932 ETOT(band)= -0.004924 trlgG= -0.022003 logG= -0.015057 TDE= -0.135363 logGD-logG0= -0.018911 tlogG= -0.013771 logG= -0.032682 Density= 0.274879 ETOT(band)= -0.000122 trlgG= -0.036924 logG= -0.032682 TDE= -0.269787 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019294 tlogG= -0.010100 logG= -0.029394 Density= 0.268903 ETOT(band)= -0.006540 trlgG= -0.040300 logG= -0.029394 TDE= -0.270676 logGD-logG0= -0.019241 tlogG= -0.011672 logG= -0.030913 Density= 0.269259 ETOT(band)= -0.007523 trlgG= -0.042789 logG= -0.030913 TDE= -0.271991 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019404 tlogG= -0.011185 logG= -0.030588 Density= 0.279658 ETOT(band)= 0.003027 trlgG= -0.032238 logG= -0.030588 TDE= -0.271810 logGD-logG0= -0.019271 tlogG= -0.010618 logG= -0.029889 Density= 0.272894 ETOT(band)= -0.003368 trlgG= -0.037645 logG= -0.029889 TDE= -0.271383 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009683 tlogG= -0.005237 logG= -0.014920 Density= 0.140733 ETOT(band)= 0.002633 trlgG= -0.014611 logG= -0.014920 TDE= -0.135645 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009815 tlogG= -0.006069 logG= -0.015884 Density= 0.144849 ETOT(band)= 0.006197 trlgG= -0.012041 logG= -0.015884 TDE= -0.136088 logGD-logG0= -0.019487 tlogG= -0.011939 logG= -0.031425 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.281545 ETOT(band)= 0.003518 trlgG= -0.032560 logG= -0.031425 TDE= -0.273118 logGD-logG0= -0.019216 tlogG= -0.010613 logG= -0.029829 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.277071 ETOT(band)= 0.002422 trlgG= -0.032361 logG= -0.029829 TDE= -0.270193 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009603 tlogG= -0.005143 logG= -0.014746 Density= 0.136196 ETOT(band)= -0.001740 trlgG= -0.018582 logG= -0.014746 TDE= -0.135406 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009626 tlogG= -0.005282 logG= -0.014908 Density= 0.136927 ETOT(band)= -0.001141 trlgG= -0.018287 logG= -0.014908 TDE= -0.135655 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009618 tlogG= -0.005491 logG= -0.015109 Density= 0.135581 ETOT(band)= -0.002640 trlgG= -0.019814 logG= -0.015109 TDE= -0.135681 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004813 tlogG= -0.002665 logG= -0.007478 Density= 0.068502 ETOT(band)= -0.000590 trlgG= -0.009180 logG= -0.007478 TDE= -0.067877 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002446 tlogG= -0.001891 logG= -0.004337 Density= 0.036985 ETOT(band)= 0.002366 trlgG= -0.002567 logG= -0.004337 TDE= -0.033960 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002343 tlogG= -0.002350 logG= -0.004693 Density= 0.034801 ETOT(band)= 0.000582 trlgG= -0.004605 logG= -0.004693 TDE= -0.033531 logGD-logG0= -0.009416 tlogG= -0.007763 logG= -0.017179 Density= 0.138143 ETOT(band)= 0.001347 trlgG= -0.017725 logG= -0.017179 TDE= -0.133997 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009398 tlogG= -0.007994 logG= -0.017393 Density= 0.138432 ETOT(band)= 0.001747 trlgG= -0.017545 logG= -0.017393 TDE= -0.133882 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002393 tlogG= -0.001982 logG= -0.004375 Density= 0.035861 ETOT(band)= 0.001549 trlgG= -0.003368 logG= -0.004375 TDE= -0.033636 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009464 tlogG= -0.007407 logG= -0.016871 Density= 0.137037 ETOT(band)= -0.000002 trlgG= -0.018785 logG= -0.016871 TDE= -0.134297 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009481 tlogG= -0.007364 logG= -0.016845 Density= 0.140961 ETOT(band)= 0.004102 trlgG= -0.014971 logG= -0.016845 TDE= -0.134300 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009735 tlogG= -0.007237 logG= -0.016972 Density= 0.145268 ETOT(band)= 0.007693 trlgG= -0.011492 logG= -0.016972 TDE= -0.134854 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004699 tlogG= -0.004034 logG= -0.008733 Density= 0.069799 ETOT(band)= 0.001451 trlgG= -0.008292 logG= -0.008733 TDE= -0.066988 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009430 tlogG= -0.008465 logG= -0.017895 Density= 0.140758 ETOT(band)= 0.003832 trlgG= -0.016152 logG= -0.017895 TDE= -0.134235 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009516 tlogG= -0.006364 logG= -0.015880 Density= 0.136949 ETOT(band)= 0.000114 trlgG= -0.017953 logG= -0.015880 TDE= -0.134371 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009616 tlogG= -0.005338 logG= -0.014955 Density= 0.134501 ETOT(band)= -0.002241 trlgG= -0.019433 logG= -0.014955 TDE= -0.134412 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018834 tlogG= -0.015819 logG= -0.034653 Density= 0.279970 ETOT(band)= 0.006437 trlgG= -0.032370 logG= -0.034653 TDE= -0.268179 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009463 tlogG= -0.006910 logG= -0.016373 Density= 0.139041 ETOT(band)= 0.002507 trlgG= -0.016049 logG= -0.016373 TDE= -0.133995 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004786 tlogG= -0.002837 logG= -0.007623 logGD-logG0= -0.009363 tlogG= -0.009067 logG= -0.018430 Density= 0.068563 ETOT(band)= 0.000401 trlgG= -0.008425 logG= -0.007623 TDE= -0.067036 logGD-logG0= -0.018942 tlogG= -0.014008 logG= -0.032950 Density= 0.139303 ETOT(band)= 0.002450 trlgG= -0.017921 logG= -0.018430 TDE= -0.134063 Density= 0.276807 ETOT(band)= 0.003284 trlgG= -0.033947 logG= -0.032950 TDE= -0.268403 logGD-logG0= -0.019187 tlogG= -0.013320 logG= -0.032508 Density= 0.285217 ETOT(band)= 0.011011 trlgG= -0.026255 logG= -0.032508 TDE= -0.269277 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009531 tlogG= -0.007573 logG= -0.017104 Density= 0.142636 ETOT(band)= 0.005589 trlgG= -0.013730 logG= -0.017104 TDE= -0.134418 logGD-logG0= -0.009824 tlogG= -0.006818 logG= -0.016642 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.146118 ETOT(band)= 0.008142 trlgG= -0.010890 logG= -0.016642 TDE= -0.135404 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019096 tlogG= -0.011745 logG= -0.030841 Density= 0.276814 ETOT(band)= 0.003568 trlgG= -0.032113 logG= -0.030841 TDE= -0.268685 logGD-logG0= -0.009684 tlogG= -0.004969 logG= -0.014653 Density= 0.132029 ETOT(band)= -0.004537 trlgG= -0.021576 logG= -0.014653 TDE= -0.134468 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009697 tlogG= -0.005739 logG= -0.015435 Density= 0.142278 ETOT(band)= 0.005115 trlgG= -0.012875 logG= -0.015435 TDE= -0.134886 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009500 tlogG= -0.006704 logG= -0.016204 Density= 0.140759 ETOT(band)= 0.004149 trlgG= -0.014394 logG= -0.016204 TDE= -0.134168 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003121 tlogG= 0.069924 logG= 0.066802 Density= 0.046054 ETOT(band)= 0.000431 trlgG= 0.066629 logG= 0.066802 TDE= -0.044664 logGD-logG0= -0.003114 tlogG= 0.069643 logG= 0.066529 Density= 0.045676 ETOT(band)= 0.000083 trlgG= 0.065974 logG= 0.066529 TDE= -0.044681 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002336 tlogG= 0.052251 logG= 0.049916 Density= 0.034325 ETOT(band)= 0.000117 trlgG= 0.049562 logG= 0.049916 TDE= -0.033513 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009413 tlogG= 0.210841 logG= 0.201427 Density= 0.139077 ETOT(band)= 0.002258 trlgG= 0.201775 logG= 0.201427 TDE= -0.134006 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004672 tlogG= 0.104712 logG= 0.100040 Density= 0.068911 ETOT(band)= 0.000484 trlgG= 0.099598 logG= 0.100040 TDE= -0.067012 logGD-logG0= -0.009359 tlogG= 0.209784 logG= 0.200425 Density= 0.138148 ETOT(band)= 0.001341 trlgG= 0.199866 logG= 0.200425 TDE= -0.134015 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003140 tlogG= 0.070321 logG= 0.067181 Density= 0.046134 ETOT(band)= 0.000540 trlgG= 0.067121 logG= 0.067181 TDE= -0.044627 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009393 tlogG= 0.210483 logG= 0.201091 Density= 0.138698 ETOT(band)= 0.001913 trlgG= 0.201120 logG= 0.201091 TDE= -0.133959 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.84544998661563 eV TrLogG= -11.6456706024263 eV Ratio to renormalize= 0.999999999597 rho-rho_expected= 0.000000006442 nargs= 1 argi=dmft2.def 10) Finished k-point number 11 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 67) Finished k-point number 68 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 81) Finished k-point number 82 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 32) Finished k-point number 33 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 86) Finished k-point number 87 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 79) Finished k-point number 80 1 with #bands= 20 16) Finished k-point number 17 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933054492704621 0.929916716835646 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 87) Finished k-point number 88 1 with #bands= 18 44) Finished k-point number 45 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 41) Finished k-point number 42 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 40) Finished k-point number 41 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 102) Finished k-point number 103 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1436176890827 Density= 16.0003611496400 16.0000000000000 EF 12.8715038569691 Density= 15.3650891369826 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96603817 0.94603817 0.361150E-03 -0.634911 1 0.96602680 0.94603817 0.462570E-04 -0.634911 2 0.96602513 0.96602680 -0.193177E-09 0.462570E-04 3 0.96602513 0.96602513 0.257659E-08 -0.193177E-09 4 0.96602513 0.96602513 0.257659E-08 -0.193177E-09 Absolute convergence of the X interval. Difference in EF= -0.0001774171 EF set to : 13.1434402720 new EF (no-mixing): 13.1434402720 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001217 tlogG= -0.001258 logG= -0.002474 Density= 0.018876 ETOT(band)= 0.000999 trlgG= -0.001769 logG= -0.002474 TDE= -0.017529 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009712 tlogG= -0.009600 logG= -0.019312 Density= 0.150904 ETOT(band)= 0.008250 trlgG= -0.013423 logG= -0.019312 TDE= -0.139888 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002426 tlogG= -0.002421 logG= -0.004848 Density= 0.037701 ETOT(band)= 0.002092 trlgG= -0.003349 logG= -0.004848 TDE= -0.034921 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004852 tlogG= -0.004655 logG= -0.009507 Density= 0.075428 ETOT(band)= 0.004207 trlgG= -0.006483 logG= -0.009507 TDE= -0.069842 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002431 tlogG= -0.002100 logG= -0.004531 Density= 0.037247 ETOT(band)= 0.002124 trlgG= -0.003056 logG= -0.004531 TDE= -0.034507 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001584 tlogG= -0.001314 logG= -0.002898 Density= 0.022675 ETOT(band)= -0.000449 trlgG= -0.003691 logG= -0.002898 TDE= -0.022697 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009739 tlogG= -0.008745 logG= -0.018484 Density= 0.149946 ETOT(band)= 0.008689 trlgG= -0.012311 logG= -0.018484 TDE= -0.138678 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004870 tlogG= -0.004233 logG= -0.009104 Density= 0.075072 ETOT(band)= 0.004226 trlgG= -0.006133 logG= -0.009104 TDE= -0.069550 logGD-logG0= -0.009735 tlogG= -0.008140 logG= -0.017875 Density= 0.149794 ETOT(band)= 0.008659 trlgG= -0.011725 logG= -0.017875 TDE= -0.138554 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009737 tlogG= -0.006773 logG= -0.016510 Density= 0.145233 ETOT(band)= 0.005280 trlgG= -0.013702 logG= -0.016510 TDE= -0.137491 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009709 tlogG= -0.007884 logG= -0.017593 Density= 0.149279 ETOT(band)= 0.009195 trlgG= -0.010896 logG= -0.017593 TDE= -0.137511 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009748 tlogG= -0.008877 logG= -0.018624 Density= 0.150408 ETOT(band)= 0.008692 trlgG= -0.012396 logG= -0.018624 TDE= -0.139069 logGD-logG0= -0.019468 tlogG= -0.016060 logG= -0.035527 Density= 0.299727 ETOT(band)= 0.017227 trlgG= -0.023318 logG= -0.035527 TDE= -0.277334 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019435 tlogG= -0.014946 logG= -0.034381 Density= 0.298292 ETOT(band)= 0.017874 trlgG= -0.021404 logG= -0.034381 TDE= -0.275181 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009737 tlogG= -0.006728 logG= -0.016465 Density= 0.147388 ETOT(band)= 0.007507 trlgG= -0.011450 logG= -0.016465 TDE= -0.137365 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003117 tlogG= -0.002605 logG= -0.005723 Density= 0.045705 ETOT(band)= 0.000042 trlgG= -0.006262 logG= -0.005723 TDE= -0.044692 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009497 tlogG= -0.007449 logG= -0.016945 logGD-logG0= -0.003163 tlogG= -0.002524 logG= -0.005687 Density= 0.045165 ETOT(band)= -0.000906 trlgG= -0.007325 logG= -0.005687 TDE= -0.045268 Density= 0.136170 ETOT(band)= -0.002333 trlgG= -0.021482 logG= -0.016945 TDE= -0.136080 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009490 tlogG= -0.007365 logG= -0.016855 Density= 0.136029 ETOT(band)= -0.002288 trlgG= -0.021365 logG= -0.016855 TDE= -0.135918 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003146 tlogG= -0.002552 logG= -0.005697 Density= 0.045413 ETOT(band)= -0.000484 trlgG= -0.006840 logG= -0.005697 TDE= -0.045013 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009476 tlogG= -0.007294 logG= -0.016770 Density= 0.136078 ETOT(band)= -0.001895 trlgG= -0.020860 logG= -0.016770 TDE= -0.135545 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009504 tlogG= -0.006667 logG= -0.016171 Density= 0.137493 ETOT(band)= -0.000748 trlgG= -0.019206 logG= -0.016171 TDE= -0.135857 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009419 tlogG= -0.007363 logG= -0.016783 Density= 0.136788 ETOT(band)= -0.000557 trlgG= -0.019295 logG= -0.016783 TDE= -0.134653 logGD-logG0= -0.009800 tlogG= -0.006537 logG= -0.016337 Density= 0.143387 ETOT(band)= 0.004105 trlgG= -0.014568 logG= -0.016337 TDE= -0.136747 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009475 tlogG= -0.006535 logG= -0.016010 logGD-logG0= -0.009742 tlogG= -0.007646 logG= -0.017388 Density= 0.137212 ETOT(band)= -0.000533 trlgG= -0.018786 logG= -0.016010 TDE= -0.135327 Density= 0.148580 ETOT(band)= 0.009319 trlgG= -0.010574 logG= -0.017388 TDE= -0.136718 logGD-logG0= -0.009797 tlogG= -0.007231 logG= -0.017028 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.147535 ETOT(band)= 0.008009 trlgG= -0.011527 logG= -0.017028 TDE= -0.137021 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009599 tlogG= -0.006386 logG= -0.015986 Density= 0.140389 ETOT(band)= 0.002384 trlgG= -0.015910 logG= -0.015986 TDE= -0.135543 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009455 tlogG= -0.007326 logG= -0.016781 Density= 0.136318 ETOT(band)= -0.001481 trlgG= -0.020374 logG= -0.016781 TDE= -0.135280 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009512 tlogG= -0.006637 logG= -0.016148 Density= 0.137443 ETOT(band)= -0.000717 trlgG= -0.019186 logG= -0.016148 TDE= -0.135811 logGD-logG0= -0.009442 tlogG= -0.006836 logG= -0.016278 Density= 0.138706 ETOT(band)= 0.001548 trlgG= -0.016925 logG= -0.016278 TDE= -0.134640 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009495 tlogG= -0.006851 logG= -0.016346 Density= 0.138076 ETOT(band)= 0.000201 trlgG= -0.018217 logG= -0.016346 TDE= -0.135256 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009560 tlogG= -0.005953 logG= -0.015513 logGD-logG0= -0.004804 tlogG= -0.002573 logG= -0.007377 Density= 0.065598 ETOT(band)= -0.002985 trlgG= -0.011375 logG= -0.007377 TDE= -0.067366 Density= 0.137918 ETOT(band)= -0.000216 trlgG= -0.018001 logG= -0.015513 TDE= -0.135719 logGD-logG0= -0.009687 tlogG= -0.006622 logG= -0.016310 Density= 0.143949 ETOT(band)= 0.006136 trlgG= -0.012455 logG= -0.016310 TDE= -0.135204 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009589 tlogG= -0.005621 logG= -0.015210 Density= 0.133434 ETOT(band)= -0.004471 trlgG= -0.021753 logG= -0.015210 TDE= -0.135444 logGD-logG0= -0.004802 tlogG= -0.003093 logG= -0.007895 Density= 0.067311 ETOT(band)= -0.002043 trlgG= -0.011025 logG= -0.007895 TDE= -0.068154 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009496 tlogG= -0.006863 logG= -0.016359 Density= 0.137044 ETOT(band)= -0.001262 trlgG= -0.019929 logG= -0.016359 TDE= -0.135958 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009607 tlogG= -0.006016 logG= -0.015623 Density= 0.135480 ETOT(band)= -0.002904 trlgG= -0.020699 logG= -0.015623 TDE= -0.135952 logGD-logG0= -0.009573 tlogG= -0.006155 logG= -0.015728 Density= 0.138522 ETOT(band)= 0.000352 trlgG= -0.017580 logG= -0.015728 TDE= -0.135668 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009537 tlogG= -0.005631 logG= -0.015169 Density= 0.136795 ETOT(band)= -0.000794 trlgG= -0.018265 logG= -0.015169 TDE= -0.135243 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019092 tlogG= -0.012003 logG= -0.031094 Density= 0.277675 ETOT(band)= 0.001632 trlgG= -0.034093 logG= -0.031094 TDE= -0.271239 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009812 tlogG= -0.006598 logG= -0.016410 Density= 0.144558 ETOT(band)= 0.004743 trlgG= -0.014117 logG= -0.016410 TDE= -0.137353 logGD-logG0= -0.019641 tlogG= -0.012846 logG= -0.032487 logGD-logG0= -0.018981 tlogG= -0.013721 logG= -0.032703 Density= 0.274241 ETOT(band)= -0.001916 trlgG= -0.039110 logG= -0.032703 TDE= -0.271331 Density= 0.287549 ETOT(band)= 0.008475 trlgG= -0.028805 logG= -0.032487 TDE= -0.274097 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019113 tlogG= -0.012155 logG= -0.031268 Density= 0.278040 ETOT(band)= 0.001697 trlgG= -0.034231 logG= -0.031268 TDE= -0.271557 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019192 tlogG= -0.010864 logG= -0.030056 Density= 0.271763 ETOT(band)= -0.003881 trlgG= -0.038489 logG= -0.030056 TDE= -0.270963 logGD-logG0= -0.019005 tlogG= -0.011686 logG= -0.030691 Density= 0.276173 ETOT(band)= 0.001454 trlgG= -0.033723 logG= -0.030691 TDE= -0.269822 logGD-logG0= -0.019216 tlogG= -0.011485 logG= -0.030701 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.275508 ETOT(band)= -0.000838 trlgG= -0.035990 logG= -0.030701 TDE= -0.271437 logGD-logG0= -0.018912 tlogG= -0.013772 logG= -0.032684 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.274879 ETOT(band)= -0.000125 trlgG= -0.036929 logG= -0.032684 TDE= -0.269786 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019367 tlogG= -0.012123 logG= -0.031490 logGD-logG0= -0.019245 tlogG= -0.010197 logG= -0.029442 Density= 0.266101 ETOT(band)= -0.008446 trlgG= -0.042264 logG= -0.029442 TDE= -0.269883 Density= 0.282361 ETOT(band)= 0.005606 trlgG= -0.030552 logG= -0.031490 TDE= -0.271830 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004893 tlogG= -0.003617 logG= -0.008510 Density= 0.074604 ETOT(band)= 0.004328 trlgG= -0.005415 logG= -0.008510 TDE= -0.068975 logGD-logG0= -0.019009 tlogG= -0.012408 logG= -0.031417 Density= 0.278646 ETOT(band)= 0.004025 trlgG= -0.032124 logG= -0.031417 TDE= -0.269886 logGD-logG0= -0.000389 tlogG= 0.008690 logG= 0.008301 Density= 0.005694 ETOT(band)= -0.000006 trlgG= 0.008215 logG= 0.008301 TDE= -0.005586 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019301 tlogG= -0.010528 logG= -0.029829 Density= 0.279836 ETOT(band)= 0.004208 trlgG= -0.030179 logG= -0.029829 TDE= -0.270678 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019082 tlogG= -0.012306 logG= -0.031388 Density= 0.277713 ETOT(band)= 0.001952 trlgG= -0.033913 logG= -0.031388 TDE= -0.270803 logGD-logG0= -0.019617 tlogG= -0.012935 logG= -0.032551 Density= 0.290680 ETOT(band)= 0.013820 trlgG= -0.023415 logG= -0.032551 TDE= -0.271668 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009610 tlogG= -0.005450 logG= -0.015060 Density= 0.132943 ETOT(band)= -0.004914 trlgG= -0.021997 logG= -0.015060 TDE= -0.135363 logGD-logG0= -0.019240 tlogG= -0.011672 logG= -0.030912 Density= 0.269261 ETOT(band)= -0.007526 trlgG= -0.042789 logG= -0.030912 TDE= -0.271990 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009684 tlogG= -0.005237 logG= -0.014921 logGD-logG0= -0.009700 tlogG= -0.004833 logG= -0.014532 Density= 0.140735 ETOT(band)= 0.002634 trlgG= -0.014612 logG= -0.014921 TDE= -0.135644 Density= 0.132355 ETOT(band)= -0.004932 trlgG= -0.021832 logG= -0.014532 TDE= -0.135158 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019218 tlogG= -0.010615 logG= -0.029832 Density= 0.277059 ETOT(band)= 0.002407 trlgG= -0.032380 logG= -0.029832 TDE= -0.270193 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019405 tlogG= -0.011187 logG= -0.030591 Density= 0.279667 ETOT(band)= 0.003031 trlgG= -0.032236 logG= -0.030591 TDE= -0.271809 logGD-logG0= -0.019487 tlogG= -0.011940 logG= -0.031427 Density= 0.281552 ETOT(band)= 0.003521 trlgG= -0.032558 logG= -0.031427 TDE= -0.273117 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009815 tlogG= -0.006069 logG= -0.015884 Density= 0.144850 ETOT(band)= 0.006196 trlgG= -0.012043 logG= -0.015884 TDE= -0.136087 logGD-logG0= -0.019293 tlogG= -0.010096 logG= -0.029389 Density= 0.268883 ETOT(band)= -0.006564 trlgG= -0.040317 logG= -0.029389 TDE= -0.270676 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019271 tlogG= -0.010622 logG= -0.029893 Density= 0.272897 ETOT(band)= -0.003369 trlgG= -0.037650 logG= -0.029893 TDE= -0.271383 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009618 tlogG= -0.005491 logG= -0.015110 Density= 0.135580 ETOT(band)= -0.002643 trlgG= -0.019817 logG= -0.015110 TDE= -0.135681 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009602 tlogG= -0.005143 logG= -0.014745 Density= 0.136197 ETOT(band)= -0.001741 trlgG= -0.018581 logG= -0.014745 TDE= -0.135406 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009626 tlogG= -0.005282 logG= -0.014909 Density= 0.136927 ETOT(band)= -0.001143 trlgG= -0.018289 logG= -0.014909 TDE= -0.135655 logGD-logG0= -0.004813 tlogG= -0.002665 logG= -0.007478 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.068502 ETOT(band)= -0.000591 trlgG= -0.009180 logG= -0.007478 TDE= -0.067877 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002446 tlogG= -0.001892 logG= -0.004337 Density= 0.036986 ETOT(band)= 0.002365 trlgG= -0.002568 logG= -0.004337 TDE= -0.033960 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002393 tlogG= -0.001982 logG= -0.004375 Density= 0.035861 ETOT(band)= 0.001548 trlgG= -0.003368 logG= -0.004375 TDE= -0.033636 logGD-logG0= -0.002343 tlogG= -0.002350 logG= -0.004693 Density= 0.034801 ETOT(band)= 0.000581 trlgG= -0.004605 logG= -0.004693 TDE= -0.033531 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009417 tlogG= -0.007764 logG= -0.017181 Density= 0.138143 ETOT(band)= 0.001346 trlgG= -0.017728 logG= -0.017181 TDE= -0.133997 logGD-logG0= -0.009464 tlogG= -0.007407 logG= -0.016872 Density= 0.137037 ETOT(band)= -0.000004 trlgG= -0.018787 logG= -0.016872 TDE= -0.134297 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009398 tlogG= -0.007995 logG= -0.017393 Density= 0.138432 ETOT(band)= 0.001746 trlgG= -0.017547 logG= -0.017393 TDE= -0.133882 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009430 tlogG= -0.008465 logG= -0.017895 Density= 0.140758 ETOT(band)= 0.003830 trlgG= -0.016154 logG= -0.017895 TDE= -0.134235 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009481 tlogG= -0.007363 logG= -0.016844 Density= 0.140960 ETOT(band)= 0.004099 trlgG= -0.014972 logG= -0.016844 TDE= -0.134299 logGD-logG0= -0.009735 tlogG= -0.007238 logG= -0.016973 Density= 0.145269 ETOT(band)= 0.007692 trlgG= -0.011493 logG= -0.016973 TDE= -0.134854 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004699 tlogG= -0.004034 logG= -0.008733 Density= 0.069799 ETOT(band)= 0.001450 trlgG= -0.008293 logG= -0.008733 TDE= -0.066988 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009464 tlogG= -0.006911 logG= -0.016375 Density= 0.139043 ETOT(band)= 0.002507 trlgG= -0.016051 logG= -0.016375 TDE= -0.133995 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009615 tlogG= -0.005339 logG= -0.014954 Density= 0.134493 ETOT(band)= -0.002252 trlgG= -0.019442 logG= -0.014954 TDE= -0.134412 logGD-logG0= -0.009683 tlogG= -0.004969 logG= -0.014652 Density= 0.132029 ETOT(band)= -0.004540 trlgG= -0.021577 logG= -0.014652 TDE= -0.134468 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009517 tlogG= -0.006364 logG= -0.015881 Density= 0.136950 ETOT(band)= 0.000113 trlgG= -0.017954 logG= -0.015881 TDE= -0.134371 logGD-logG0= -0.019188 tlogG= -0.013323 logG= -0.032510 Density= 0.285221 ETOT(band)= 0.011010 trlgG= -0.026257 logG= -0.032510 TDE= -0.269277 logGD-logG0= -0.018834 tlogG= -0.015819 logG= -0.034653 Density= 0.279970 ETOT(band)= 0.006432 trlgG= -0.032374 logG= -0.034653 TDE= -0.268178 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004786 tlogG= -0.002838 logG= -0.007624 Density= 0.068565 ETOT(band)= 0.000403 trlgG= -0.008425 logG= -0.007624 TDE= -0.067036 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009824 tlogG= -0.006818 logG= -0.016642 Density= 0.146119 ETOT(band)= 0.008141 trlgG= -0.010891 logG= -0.016642 TDE= -0.135404 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009363 tlogG= -0.009068 logG= -0.018431 Density= 0.139304 ETOT(band)= 0.002448 trlgG= -0.017923 logG= -0.018431 TDE= -0.134063 logGD-logG0= -0.009531 tlogG= -0.007573 logG= -0.017104 Density= 0.142635 ETOT(band)= 0.005587 trlgG= -0.013732 logG= -0.017104 TDE= -0.134418 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009697 tlogG= -0.005739 logG= -0.015436 Density= 0.142278 ETOT(band)= 0.005112 trlgG= -0.012878 logG= -0.015436 TDE= -0.134886 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009501 tlogG= -0.006704 logG= -0.016205 Density= 0.140758 ETOT(band)= 0.004147 trlgG= -0.014397 logG= -0.016205 TDE= -0.134168 logGD-logG0= -0.018942 tlogG= -0.014006 logG= -0.032947 Density= 0.276809 ETOT(band)= 0.003282 trlgG= -0.033946 logG= -0.032947 TDE= -0.268403 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019097 tlogG= -0.011748 logG= -0.030846 Density= 0.276820 ETOT(band)= 0.003571 trlgG= -0.032115 logG= -0.030846 TDE= -0.268685 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003140 tlogG= 0.070320 logG= 0.067180 Density= 0.046134 ETOT(band)= 0.000539 trlgG= 0.067119 logG= 0.067180 TDE= -0.044627 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003122 tlogG= 0.069923 logG= 0.066801 Density= 0.046055 ETOT(band)= 0.000431 trlgG= 0.066627 logG= 0.066801 TDE= -0.044664 logGD-logG0= -0.003114 tlogG= 0.069642 logG= 0.066528 logGD-logG0= -0.009413 tlogG= 0.210838 logG= 0.201425 Density= 0.139077 ETOT(band)= 0.002257 trlgG= 0.201771 logG= 0.201425 TDE= -0.134006 Density= 0.045676 ETOT(band)= 0.000083 trlgG= 0.065972 logG= 0.066528 TDE= -0.044681 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009359 tlogG= 0.209781 logG= 0.200422 Density= 0.138148 ETOT(band)= 0.001339 trlgG= 0.199861 logG= 0.200422 TDE= -0.134015 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002336 tlogG= 0.052250 logG= 0.049915 Density= 0.034325 ETOT(band)= 0.000117 trlgG= 0.049561 logG= 0.049915 TDE= -0.033513 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004672 tlogG= 0.104711 logG= 0.100039 Density= 0.068911 ETOT(band)= 0.000484 trlgG= 0.099596 logG= 0.100039 TDE= -0.067012 logGD-logG0= -0.009394 tlogG= 0.210479 logG= 0.201086 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Density= 0.138698 ETOT(band)= 0.001912 trlgG= 0.201113 logG= 0.201086 TDE= -0.133959 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.84251043298876 eV TrLogG= -11.6486235251027 eV Ratio to renormalize= 0.999999999576 rho-rho_expected= 0.000000006779 nargs= 1 argi=dmft2.def 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 35) Finished k-point number 36 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 44) Finished k-point number 45 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 75) Finished k-point number 76 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 80) Finished k-point number 81 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 77) Finished k-point number 78 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 32) Finished k-point number 33 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 64) Finished k-point number 65 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 55) Finished k-point number 56 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933105515154674 0.929877166693495 7) Finished k-point number 8 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 18) Finished k-point number 19 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 13) Finished k-point number 14 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 16) Finished k-point number 17 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 20) Finished k-point number 21 1 with #bands= 26 50) Finished k-point number 51 1 with #bands= 20 19) Finished k-point number 20 1 with #bands= 26 49) Finished k-point number 50 1 with #bands= 20 26) Finished k-point number 27 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 24) Finished k-point number 25 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 97) Finished k-point number 98 1 with #bands= 20 8) Finished k-point number 9 1 with #bands= 26 52) Finished k-point number 53 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1434402720171 Density= 15.9999968029858 16.0000000000000 EF 13.4155541041307 Density= 16.5092669185324 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98602513 0.96602513 0.509267 -0.319701E-05 1 0.97602513 0.96602515 0.263521 -0.319701E-05 2 0.97102514 0.96602490 0.134785 -0.319701E-05 3 0.96852502 0.96602502 0.682577E-01 -0.319701E-05 4 0.96727502 0.96602496 0.343612E-01 -0.319701E-05 5 0.96664999 0.96602523 0.172380E-01 -0.319702E-05 6 0.96633761 0.96602533 0.863447E-02 -0.319701E-05 7 0.96618147 0.96602528 0.432244E-02 -0.319701E-05 8 0.96610338 0.96602507 0.216275E-02 -0.319701E-05 9 0.96606422 0.96602518 0.107922E-02 -0.319701E-05 10 0.96604470 0.96602512 0.538734E-03 -0.319701E-05 11 0.96603491 0.96602515 0.267711E-03 -0.319701E-05 12 0.96603003 0.96602490 0.132555E-03 -0.319701E-05 13 0.96602746 0.96602526 0.614896E-04 -0.319702E-05 14 0.96602636 0.96602508 0.309997E-04 -0.319701E-05 15 0.96602572 0.96602493 0.132327E-04 -0.319701E-05 16 0.96602533 0.96602524 0.230889E-05 -0.319701E-05 17 0.96602530 0.96602524 0.144464E-05 -0.319701E-05 18 0.96602526 0.96602524 0.420885E-06 -0.319701E-05 19 0.96602525 0.96602524 0.224339E-06 -0.319701E-05 20 0.96602525 0.96602524 0.126066E-06 -0.319701E-05 21 0.96602525 0.96602524 0.769296E-07 -0.319701E-05 22 0.96602525 0.96602524 0.523613E-07 -0.319701E-05 23 0.96602525 0.96602524 0.400772E-07 -0.319701E-05 24 0.96602524 0.96602524 0.339351E-07 -0.319701E-05 25 0.96602524 0.96602524 0.308641E-07 -0.319701E-05 26 0.96602524 0.96602524 0.280948E-07 -0.319701E-05 Absolute convergence of the X interval. Difference in EF= 0.0000015845 EF set to : 13.1434418565 new EF (no-mixing): 13.1434418565 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001217 tlogG= -0.001258 logG= -0.002474 Density= 0.018876 ETOT(band)= 0.000999 trlgG= -0.001769 logG= -0.002474 TDE= -0.017529 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009712 tlogG= -0.009600 logG= -0.019312 Density= 0.150904 ETOT(band)= 0.008250 trlgG= -0.013423 logG= -0.019312 TDE= -0.139888 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002426 tlogG= -0.002421 logG= -0.004848 Density= 0.037701 ETOT(band)= 0.002092 trlgG= -0.003349 logG= -0.004848 TDE= -0.034921 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.001584 tlogG= -0.001314 logG= -0.002898 Density= 0.022675 ETOT(band)= -0.000449 trlgG= -0.003691 logG= -0.002898 TDE= -0.022697 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004870 tlogG= -0.004233 logG= -0.009103 Density= 0.075071 ETOT(band)= 0.004225 trlgG= -0.006133 logG= -0.009103 TDE= -0.069550 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.002431 tlogG= -0.002100 logG= -0.004531 Density= 0.037247 ETOT(band)= 0.002124 trlgG= -0.003056 logG= -0.004531 TDE= -0.034507 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009709 tlogG= -0.007884 logG= -0.017592 Density= 0.149279 ETOT(band)= 0.009195 trlgG= -0.010896 logG= -0.017592 TDE= -0.137511 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009737 tlogG= -0.006728 logG= -0.016464 Density= 0.147387 ETOT(band)= 0.007507 trlgG= -0.011450 logG= -0.016464 TDE= -0.137365 logGD-logG0= -0.009739 tlogG= -0.008745 logG= -0.018484 Density= 0.149947 ETOT(band)= 0.008689 trlgG= -0.012310 logG= -0.018484 TDE= -0.138678 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009747 tlogG= -0.008876 logG= -0.018624 Density= 0.150408 ETOT(band)= 0.008692 trlgG= -0.012395 logG= -0.018624 TDE= -0.139069 logGD-logG0= -0.019468 tlogG= -0.016059 logG= -0.035526 Density= 0.299727 ETOT(band)= 0.017228 trlgG= -0.023317 logG= -0.035526 TDE= -0.277334 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004852 tlogG= -0.004655 logG= -0.009507 Density= 0.075428 ETOT(band)= 0.004207 trlgG= -0.006483 logG= -0.009507 TDE= -0.069842 logGD-logG0= -0.009735 tlogG= -0.008140 logG= -0.017875 Density= 0.149793 ETOT(band)= 0.008658 trlgG= -0.011725 logG= -0.017875 TDE= -0.138554 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003117 tlogG= -0.002605 logG= -0.005722 Density= 0.045705 ETOT(band)= 0.000042 trlgG= -0.006261 logG= -0.005722 TDE= -0.044692 logGD-logG0= -0.003163 tlogG= -0.002524 logG= -0.005687 Density= 0.045165 ETOT(band)= -0.000906 trlgG= -0.007324 logG= -0.005687 TDE= -0.045268 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009737 tlogG= -0.006773 logG= -0.016509 logGD-logG0= -0.003146 tlogG= -0.002551 logG= -0.005697 Density= 0.145230 ETOT(band)= 0.005277 trlgG= -0.013704 logG= -0.016509 TDE= -0.137491 Density= 0.045413 ETOT(band)= -0.000484 trlgG= -0.006840 logG= -0.005697 TDE= -0.045013 logGD-logG0= -0.009490 tlogG= -0.007365 logG= -0.016855 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136030 ETOT(band)= -0.002287 trlgG= -0.021365 logG= -0.016855 TDE= -0.135918 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009476 tlogG= -0.007292 logG= -0.016768 logGD-logG0= -0.009497 tlogG= -0.007449 logG= -0.016946 Density= 0.136169 ETOT(band)= -0.002334 trlgG= -0.021483 logG= -0.016946 TDE= -0.136080 Density= 0.136079 ETOT(band)= -0.001893 trlgG= -0.020857 logG= -0.016768 TDE= -0.135545 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009512 tlogG= -0.006638 logG= -0.016150 Density= 0.137443 ETOT(band)= -0.000717 trlgG= -0.019188 logG= -0.016150 TDE= -0.135811 logGD-logG0= -0.009455 tlogG= -0.007326 logG= -0.016781 logGD-logG0= -0.009419 tlogG= -0.007365 logG= -0.016784 Density= 0.136789 ETOT(band)= -0.000556 trlgG= -0.019295 logG= -0.016784 TDE= -0.134653 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136318 ETOT(band)= -0.001481 trlgG= -0.020373 logG= -0.016781 TDE= -0.135280 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009742 tlogG= -0.007646 logG= -0.017388 Density= 0.148580 ETOT(band)= 0.009319 trlgG= -0.010574 logG= -0.017388 TDE= -0.136718 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009559 tlogG= -0.005952 logG= -0.015511 Density= 0.137916 ETOT(band)= -0.000217 trlgG= -0.018000 logG= -0.015511 TDE= -0.135719 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009493 tlogG= -0.006851 logG= -0.016344 Density= 0.138076 ETOT(band)= 0.000200 trlgG= -0.018215 logG= -0.016344 TDE= -0.135256 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009599 tlogG= -0.006386 logG= -0.015984 Density= 0.140390 ETOT(band)= 0.002384 trlgG= -0.015908 logG= -0.015984 TDE= -0.135543 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019434 tlogG= -0.014946 logG= -0.034380 Density= 0.298292 ETOT(band)= 0.017873 trlgG= -0.021404 logG= -0.034380 TDE= -0.275181 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019092 tlogG= -0.012003 logG= -0.031096 Density= 0.277683 ETOT(band)= 0.001640 trlgG= -0.034086 logG= -0.031096 TDE= -0.271239 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009573 tlogG= -0.006155 logG= -0.015728 Density= 0.138522 ETOT(band)= 0.000353 trlgG= -0.017580 logG= -0.015728 TDE= -0.135668 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019193 tlogG= -0.010862 logG= -0.030056 Density= 0.271767 ETOT(band)= -0.003876 trlgG= -0.038485 logG= -0.030056 TDE= -0.270963 logGD-logG0= -0.009797 tlogG= -0.007228 logG= -0.017026 Density= 0.147522 ETOT(band)= 0.007996 trlgG= -0.011537 logG= -0.017026 TDE= -0.137021 logGD-logG0= -0.019245 tlogG= -0.010196 logG= -0.029441 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019009 tlogG= -0.012408 logG= -0.031417 Density= 0.278644 ETOT(band)= 0.004023 trlgG= -0.032127 logG= -0.031417 TDE= -0.269886 Density= 0.266104 ETOT(band)= -0.008443 trlgG= -0.042261 logG= -0.029441 TDE= -0.269883 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019114 tlogG= -0.012157 logG= -0.031270 Density= 0.278044 ETOT(band)= 0.001701 trlgG= -0.034230 logG= -0.031270 TDE= -0.271557 logGD-logG0= -0.018983 tlogG= -0.013724 logG= -0.032708 logGD-logG0= -0.009699 tlogG= -0.004832 logG= -0.014532 Density= 0.274242 ETOT(band)= -0.001914 trlgG= -0.039115 logG= -0.032708 TDE= -0.271331 Density= 0.132360 ETOT(band)= -0.004928 trlgG= -0.021827 logG= -0.014532 TDE= -0.135158 logGD-logG0= -0.019367 tlogG= -0.012121 logG= -0.031487 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.282358 ETOT(band)= 0.005603 trlgG= -0.030552 logG= -0.031487 TDE= -0.271830 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019217 tlogG= -0.011486 logG= -0.030702 Density= 0.275509 ETOT(band)= -0.000837 trlgG= -0.035990 logG= -0.030702 TDE= -0.271437 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000389 tlogG= 0.008690 logG= 0.008301 Density= 0.005694 ETOT(band)= -0.000006 trlgG= 0.008215 logG= 0.008301 TDE= -0.005586 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.018910 tlogG= -0.013768 logG= -0.032678 Density= 0.274879 ETOT(band)= -0.000126 trlgG= -0.036924 logG= -0.032678 TDE= -0.269786 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009815 tlogG= -0.006069 logG= -0.015884 Density= 0.144850 ETOT(band)= 0.006196 trlgG= -0.012043 logG= -0.015884 TDE= -0.136087 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009683 tlogG= -0.005239 logG= -0.014922 Density= 0.140731 ETOT(band)= 0.002630 trlgG= -0.014617 logG= -0.014922 TDE= -0.135644 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019404 tlogG= -0.011186 logG= -0.030590 Density= 0.279653 ETOT(band)= 0.003019 trlgG= -0.032247 logG= -0.030590 TDE= -0.271809 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009604 tlogG= -0.005143 logG= -0.014747 Density= 0.136195 ETOT(band)= -0.001743 trlgG= -0.018585 logG= -0.014747 TDE= -0.135406 logGD-logG0= -0.009607 tlogG= -0.006017 logG= -0.015624 Density= 0.135481 ETOT(band)= -0.002903 trlgG= -0.020698 logG= -0.015624 TDE= -0.135952 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009626 tlogG= -0.005282 logG= -0.014908 Density= 0.136927 ETOT(band)= -0.001143 trlgG= -0.018288 logG= -0.014908 TDE= -0.135655 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004813 tlogG= -0.002665 logG= -0.007478 Density= 0.068502 ETOT(band)= -0.000591 trlgG= -0.009180 logG= -0.007478 TDE= -0.067877 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009812 tlogG= -0.006598 logG= -0.016410 Density= 0.144556 ETOT(band)= 0.004742 trlgG= -0.014117 logG= -0.016410 TDE= -0.137353 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009617 tlogG= -0.005489 logG= -0.015107 Density= 0.135581 ETOT(band)= -0.002643 trlgG= -0.019814 logG= -0.015107 TDE= -0.135681 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019005 tlogG= -0.011688 logG= -0.030693 Density= 0.276170 ETOT(band)= 0.001451 trlgG= -0.033728 logG= -0.030693 TDE= -0.269822 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019301 tlogG= -0.010531 logG= -0.029833 Density= 0.279848 ETOT(band)= 0.004220 trlgG= -0.030171 logG= -0.029833 TDE= -0.270678 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019616 tlogG= -0.012933 logG= -0.032549 Density= 0.290665 ETOT(band)= 0.013805 trlgG= -0.023427 logG= -0.032549 TDE= -0.271668 logGD-logG0= -0.004802 tlogG= -0.003093 logG= -0.007896 Density= 0.067311 ETOT(band)= -0.002043 trlgG= -0.011025 logG= -0.007896 TDE= -0.068154 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019083 tlogG= -0.012307 logG= -0.031390 Density= 0.277715 ETOT(band)= 0.001954 trlgG= -0.033913 logG= -0.031390 TDE= -0.270803 logGD-logG0= -0.009800 tlogG= -0.006537 logG= -0.016337 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.143386 ETOT(band)= 0.004104 trlgG= -0.014569 logG= -0.016337 TDE= -0.136747 logGD-logG0= -0.009504 tlogG= -0.006668 logG= -0.016172 Density= 0.137494 ETOT(band)= -0.000746 trlgG= -0.019206 logG= -0.016172 TDE= -0.135857 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019487 tlogG= -0.011940 logG= -0.031427 Density= 0.281548 ETOT(band)= 0.003517 trlgG= -0.032561 logG= -0.031427 TDE= -0.273117 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009441 tlogG= -0.006837 logG= -0.016278 Density= 0.138706 ETOT(band)= 0.001547 trlgG= -0.016926 logG= -0.016278 TDE= -0.134641 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009497 tlogG= -0.006863 logG= -0.016359 Density= 0.137044 ETOT(band)= -0.001261 trlgG= -0.019929 logG= -0.016359 TDE= -0.135958 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019271 tlogG= -0.010620 logG= -0.029891 Density= 0.272896 ETOT(band)= -0.003370 trlgG= -0.037649 logG= -0.029891 TDE= -0.271383 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019294 tlogG= -0.010097 logG= -0.029391 Density= 0.268884 ETOT(band)= -0.006562 trlgG= -0.040319 logG= -0.029391 TDE= -0.270676 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009589 tlogG= -0.005621 logG= -0.015209 Density= 0.133433 ETOT(band)= -0.004472 trlgG= -0.021753 logG= -0.015209 TDE= -0.135444 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009609 tlogG= -0.005446 logG= -0.015054 Density= 0.132928 ETOT(band)= -0.004930 trlgG= -0.022006 logG= -0.015054 TDE= -0.135363 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009417 tlogG= -0.007764 logG= -0.017180 Density= 0.138143 ETOT(band)= 0.001346 trlgG= -0.017727 logG= -0.017180 TDE= -0.133997 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009735 tlogG= -0.007237 logG= -0.016972 Density= 0.145269 ETOT(band)= 0.007692 trlgG= -0.011492 logG= -0.016972 TDE= -0.134854 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009481 tlogG= -0.007364 logG= -0.016845 Density= 0.140961 ETOT(band)= 0.004101 trlgG= -0.014972 logG= -0.016845 TDE= -0.134299 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004893 tlogG= -0.003617 logG= -0.008510 Density= 0.074604 ETOT(band)= 0.004327 trlgG= -0.005415 logG= -0.008510 TDE= -0.068975 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009517 tlogG= -0.006366 logG= -0.015883 Density= 0.136952 ETOT(band)= 0.000115 trlgG= -0.017956 logG= -0.015883 TDE= -0.134371 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004804 tlogG= -0.002572 logG= -0.007376 Density= 0.065589 ETOT(band)= -0.002993 trlgG= -0.011382 logG= -0.007376 TDE= -0.067366 logGD-logG0= -0.009476 tlogG= -0.006536 logG= -0.016012 Density= 0.137214 ETOT(band)= -0.000531 trlgG= -0.018787 logG= -0.016012 TDE= -0.135327 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009617 tlogG= -0.005340 logG= -0.014957 Density= 0.134502 ETOT(band)= -0.002242 trlgG= -0.019436 logG= -0.014957 TDE= -0.134412 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002343 tlogG= -0.002350 logG= -0.004693 Density= 0.034801 ETOT(band)= 0.000581 trlgG= -0.004605 logG= -0.004693 TDE= -0.033531 logGD-logG0= -0.018834 tlogG= -0.015818 logG= -0.034652 Density= 0.279970 ETOT(band)= 0.006433 trlgG= -0.032373 logG= -0.034652 TDE= -0.268178 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019188 tlogG= -0.013321 logG= -0.032509 Density= 0.285218 ETOT(band)= 0.011008 trlgG= -0.026258 logG= -0.032509 TDE= -0.269277 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018942 tlogG= -0.014010 logG= -0.032952 Density= 0.276808 ETOT(band)= 0.003281 trlgG= -0.033952 logG= -0.032952 TDE= -0.268403 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009398 tlogG= -0.007995 logG= -0.017394 Density= 0.138432 ETOT(band)= 0.001746 trlgG= -0.017547 logG= -0.017394 TDE= -0.133882 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009687 tlogG= -0.006622 logG= -0.016310 Density= 0.143948 ETOT(band)= 0.006136 trlgG= -0.012456 logG= -0.016310 TDE= -0.135204 logGD-logG0= -0.009683 tlogG= -0.004970 logG= -0.014653 Density= 0.132025 ETOT(band)= -0.004544 trlgG= -0.021581 logG= -0.014653 TDE= -0.134468 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009538 tlogG= -0.005632 logG= -0.015170 Density= 0.136795 ETOT(band)= -0.000793 trlgG= -0.018265 logG= -0.015170 TDE= -0.135243 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009697 tlogG= -0.005739 logG= -0.015435 Density= 0.142278 ETOT(band)= 0.005112 trlgG= -0.012878 logG= -0.015435 TDE= -0.134886 logGD-logG0= -0.019101 tlogG= -0.011755 logG= -0.030856 Density= 0.276836 ETOT(band)= 0.003587 trlgG= -0.032110 logG= -0.030856 TDE= -0.268685 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019213 tlogG= -0.010612 logG= -0.029825 Density= 0.277073 ETOT(band)= 0.002419 trlgG= -0.032359 logG= -0.029825 TDE= -0.270193 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009824 tlogG= -0.006818 logG= -0.016642 Density= 0.146119 ETOT(band)= 0.008141 trlgG= -0.010891 logG= -0.016642 TDE= -0.135404 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003140 tlogG= 0.070320 logG= 0.067180 logGD-logG0= -0.019642 tlogG= -0.012846 logG= -0.032488 Density= 0.046134 ETOT(band)= 0.000539 trlgG= 0.067119 logG= 0.067180 TDE= -0.044627 Density= 0.287561 ETOT(band)= 0.008487 trlgG= -0.028794 logG= -0.032488 TDE= -0.274097 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009500 tlogG= -0.006704 logG= -0.016204 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Density= 0.140759 ETOT(band)= 0.004147 trlgG= -0.014396 logG= -0.016204 TDE= -0.134168 logGD-logG0= -0.002445 tlogG= -0.001891 logG= -0.004337 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.036986 ETOT(band)= 0.002365 trlgG= -0.002567 logG= -0.004337 TDE= -0.033960 logGD-logG0= -0.003121 tlogG= 0.069923 logG= 0.066802 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.046055 ETOT(band)= 0.000431 trlgG= 0.066627 logG= 0.066802 TDE= -0.044664 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002336 tlogG= 0.052250 logG= 0.049915 Density= 0.034325 ETOT(band)= 0.000117 trlgG= 0.049561 logG= 0.049915 TDE= -0.033513 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003114 tlogG= 0.069642 logG= 0.066528 Density= 0.045677 ETOT(band)= 0.000083 trlgG= 0.065972 logG= 0.066528 TDE= -0.044681 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009363 tlogG= -0.009067 logG= -0.018430 Density= 0.139304 ETOT(band)= 0.002448 trlgG= -0.017923 logG= -0.018430 TDE= -0.134063 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009359 tlogG= 0.209781 logG= 0.200422 Density= 0.138149 ETOT(band)= 0.001339 trlgG= 0.199861 logG= 0.200422 TDE= -0.134015 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009413 tlogG= 0.210838 logG= 0.201424 Density= 0.139078 ETOT(band)= 0.002257 trlgG= 0.201771 logG= 0.201424 TDE= -0.134006 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009464 tlogG= -0.007408 logG= -0.016872 Density= 0.137038 ETOT(band)= -0.000003 trlgG= -0.018787 logG= -0.016872 TDE= -0.134297 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009531 tlogG= -0.007573 logG= -0.017104 Density= 0.142636 ETOT(band)= 0.005587 trlgG= -0.013732 logG= -0.017104 TDE= -0.134418 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009430 tlogG= -0.008465 logG= -0.017895 Density= 0.140758 ETOT(band)= 0.003831 trlgG= -0.016153 logG= -0.017895 TDE= -0.134235 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004698 tlogG= -0.004034 logG= -0.008732 Density= 0.069799 ETOT(band)= 0.001450 trlgG= -0.008292 logG= -0.008732 TDE= -0.066988 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009463 tlogG= -0.006905 logG= -0.016368 Density= 0.139044 ETOT(band)= 0.002508 trlgG= -0.016043 logG= -0.016368 TDE= -0.133995 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004786 tlogG= -0.002837 logG= -0.007623 Density= 0.068563 ETOT(band)= 0.000401 trlgG= -0.008426 logG= -0.007623 TDE= -0.067036 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019241 tlogG= -0.011672 logG= -0.030913 Density= 0.269263 ETOT(band)= -0.007523 trlgG= -0.042789 logG= -0.030913 TDE= -0.271990 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002393 tlogG= -0.001982 logG= -0.004375 Density= 0.035861 ETOT(band)= 0.001548 trlgG= -0.003368 logG= -0.004375 TDE= -0.033636 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004672 tlogG= 0.104710 logG= 0.100038 Density= 0.068911 ETOT(band)= 0.000484 trlgG= 0.099596 logG= 0.100038 TDE= -0.067012 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009393 tlogG= 0.210479 logG= 0.201086 Density= 0.138698 ETOT(band)= 0.001912 trlgG= 0.201114 logG= 0.201086 TDE= -0.133959 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.84259650408085 eV TrLogG= -11.6485006589296 eV Ratio to renormalize= 0.999999997981 rho-rho_expected= 0.000000032297 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 88) Finished k-point number 89 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 74) Finished k-point number 75 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 93) Finished k-point number 94 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 61) Finished k-point number 62 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933096166583561 0.929870191087205 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 15) Finished k-point number 16 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 12) Finished k-point number 13 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 41) Finished k-point number 42 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 26 64) Finished k-point number 65 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 78) Finished k-point number 79 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 51) Finished k-point number 52 1 with #bands= 20 72) Finished k-point number 73 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 39) Finished k-point number 40 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 26 87) Finished k-point number 88 1 with #bands= 18 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 22) Finished k-point number 23 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 102) Finished k-point number 103 1 with #bands= 22 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1434418565358 Density= 15.9997858518645 16.0000000000000 EF 13.4155556886493 Density= 16.5091283183112 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98602524 0.96602524 0.509128 -0.214148E-03 1 0.97602524 0.96602526 0.263360 -0.214148E-03 2 0.97102525 0.96602502 0.134603 -0.214148E-03 3 0.96852513 0.96602514 0.680620E-01 -0.214148E-03 4 0.96727514 0.96602508 0.341581E-01 -0.214148E-03 5 0.96665011 0.96602535 0.170311E-01 -0.214148E-03 6 0.96633773 0.96602497 0.842554E-02 -0.214148E-03 7 0.96618135 0.96602492 0.410591E-02 -0.214148E-03 8 0.96610314 0.96602495 0.194241E-02 -0.214148E-03 9 0.96606404 0.96602493 0.860267E-03 -0.214148E-03 10 0.96604449 0.96602494 0.318832E-03 -0.214148E-03 11 0.96603471 0.96602494 0.481566E-04 -0.214148E-03 12 0.96603294 0.96603471 -0.938898E-06 0.481566E-04 13 0.96603298 0.96603294 0.964917E-11 -0.938898E-06 Absolute convergence of |F(X)|. Difference in EF= 0.0001051925 EF set to : 13.1435470491 new EF (no-mixing): 13.1435470491 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001217 tlogG= -0.001258 logG= -0.002474 Density= 0.018876 ETOT(band)= 0.000999 trlgG= -0.001769 logG= -0.002474 TDE= -0.017529 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002426 tlogG= -0.002421 logG= -0.004848 Density= 0.037701 ETOT(band)= 0.002092 trlgG= -0.003349 logG= -0.004848 TDE= -0.034921 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009712 tlogG= -0.009600 logG= -0.019312 Density= 0.150904 ETOT(band)= 0.008250 trlgG= -0.013422 logG= -0.019312 TDE= -0.139888 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004852 tlogG= -0.004655 logG= -0.009507 Density= 0.075428 ETOT(band)= 0.004207 trlgG= -0.006483 logG= -0.009507 TDE= -0.069842 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002431 tlogG= -0.002100 logG= -0.004531 Density= 0.037247 ETOT(band)= 0.002124 trlgG= -0.003056 logG= -0.004531 TDE= -0.034507 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009739 tlogG= -0.008745 logG= -0.018484 Density= 0.149946 ETOT(band)= 0.008690 trlgG= -0.012310 logG= -0.018484 TDE= -0.138679 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009737 tlogG= -0.006772 logG= -0.016508 Density= 0.145235 ETOT(band)= 0.005282 trlgG= -0.013698 logG= -0.016508 TDE= -0.137491 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001584 tlogG= -0.001314 logG= -0.002898 Density= 0.022675 ETOT(band)= -0.000449 trlgG= -0.003691 logG= -0.002898 TDE= -0.022697 logGD-logG0= -0.009735 tlogG= -0.008140 logG= -0.017875 Density= 0.149794 ETOT(band)= 0.008660 trlgG= -0.011724 logG= -0.017875 TDE= -0.138555 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009747 tlogG= -0.008876 logG= -0.018624 Density= 0.150407 ETOT(band)= 0.008692 trlgG= -0.012395 logG= -0.018624 TDE= -0.139069 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019435 tlogG= -0.014945 logG= -0.034380 logGD-logG0= -0.019468 tlogG= -0.016059 logG= -0.035527 Density= 0.298290 ETOT(band)= 0.017874 trlgG= -0.021403 logG= -0.034380 TDE= -0.275182 Density= 0.299725 ETOT(band)= 0.017228 trlgG= -0.023318 logG= -0.035527 TDE= -0.277335 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004870 tlogG= -0.004233 logG= -0.009103 Density= 0.075070 ETOT(band)= 0.004224 trlgG= -0.006134 logG= -0.009103 TDE= -0.069551 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009737 tlogG= -0.006728 logG= -0.016465 Density= 0.147387 ETOT(band)= 0.007508 trlgG= -0.011449 logG= -0.016465 TDE= -0.137365 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009709 tlogG= -0.007884 logG= -0.017592 Density= 0.149279 ETOT(band)= 0.009195 trlgG= -0.010896 logG= -0.017592 TDE= -0.137511 logGD-logG0= -0.003163 tlogG= -0.002524 logG= -0.005687 Density= 0.045165 ETOT(band)= -0.000906 trlgG= -0.007324 logG= -0.005687 TDE= -0.045268 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009498 tlogG= -0.007446 logG= -0.016944 Density= 0.136170 ETOT(band)= -0.002332 trlgG= -0.021480 logG= -0.016944 TDE= -0.136080 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009490 tlogG= -0.007365 logG= -0.016854 Density= 0.136029 ETOT(band)= -0.002287 trlgG= -0.021363 logG= -0.016854 TDE= -0.135918 logGD-logG0= -0.003118 tlogG= -0.002605 logG= -0.005723 Density= 0.045705 ETOT(band)= 0.000042 trlgG= -0.006262 logG= -0.005723 TDE= -0.044692 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003145 tlogG= -0.002551 logG= -0.005697 Density= 0.045413 ETOT(band)= -0.000484 trlgG= -0.006839 logG= -0.005697 TDE= -0.045013 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009476 tlogG= -0.007293 logG= -0.016768 Density= 0.136079 ETOT(band)= -0.001893 trlgG= -0.020857 logG= -0.016768 TDE= -0.135545 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009419 tlogG= -0.007364 logG= -0.016784 Density= 0.136788 ETOT(band)= -0.000555 trlgG= -0.019295 logG= -0.016784 TDE= -0.134653 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009476 tlogG= -0.006536 logG= -0.016012 Density= 0.137213 ETOT(band)= -0.000531 trlgG= -0.018787 logG= -0.016012 TDE= -0.135327 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009797 tlogG= -0.007231 logG= -0.017028 Density= 0.147533 ETOT(band)= 0.008008 trlgG= -0.011528 logG= -0.017028 TDE= -0.137022 logGD-logG0= -0.009800 tlogG= -0.006538 logG= -0.016338 Density= 0.143387 ETOT(band)= 0.004106 trlgG= -0.014568 logG= -0.016338 TDE= -0.136747 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009743 tlogG= -0.007646 logG= -0.017388 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.148579 ETOT(band)= 0.009320 trlgG= -0.010574 logG= -0.017388 TDE= -0.136718 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009599 tlogG= -0.006385 logG= -0.015984 Density= 0.140390 ETOT(band)= 0.002386 trlgG= -0.015906 logG= -0.015984 TDE= -0.135543 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009455 tlogG= -0.007326 logG= -0.016781 Density= 0.136318 ETOT(band)= -0.001480 trlgG= -0.020373 logG= -0.016781 TDE= -0.135280 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009607 tlogG= -0.006016 logG= -0.015623 Density= 0.135482 ETOT(band)= -0.002901 trlgG= -0.020696 logG= -0.015623 TDE= -0.135953 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009589 tlogG= -0.005620 logG= -0.015209 Density= 0.133432 ETOT(band)= -0.004472 trlgG= -0.021753 logG= -0.015209 TDE= -0.135444 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009561 tlogG= -0.005954 logG= -0.015515 Density= 0.137918 ETOT(band)= -0.000214 trlgG= -0.018001 logG= -0.015515 TDE= -0.135720 logGD-logG0= -0.004802 tlogG= -0.003093 logG= -0.007895 Density= 0.067311 ETOT(band)= -0.002043 trlgG= -0.011024 logG= -0.007895 TDE= -0.068154 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009574 tlogG= -0.006156 logG= -0.015730 Density= 0.138523 ETOT(band)= 0.000354 trlgG= -0.017580 logG= -0.015730 TDE= -0.135668 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009497 tlogG= -0.006863 logG= -0.016359 Density= 0.137043 ETOT(band)= -0.001261 trlgG= -0.019929 logG= -0.016359 TDE= -0.135958 logGD-logG0= -0.009503 tlogG= -0.006666 logG= -0.016170 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137492 ETOT(band)= -0.000747 trlgG= -0.019204 logG= -0.016170 TDE= -0.135857 logGD-logG0= -0.004893 tlogG= -0.003617 logG= -0.008510 Density= 0.074604 ETOT(band)= 0.004328 trlgG= -0.005415 logG= -0.008510 TDE= -0.068975 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019093 tlogG= -0.012004 logG= -0.031098 Density= 0.277686 ETOT(band)= 0.001645 trlgG= -0.034084 logG= -0.031098 TDE= -0.271240 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019082 tlogG= -0.012306 logG= -0.031388 Density= 0.277713 ETOT(band)= 0.001953 trlgG= -0.033912 logG= -0.031388 TDE= -0.270804 logGD-logG0= -0.018982 tlogG= -0.013722 logG= -0.032703 Density= 0.274240 ETOT(band)= -0.001915 trlgG= -0.039110 logG= -0.032703 TDE= -0.271332 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000389 tlogG= 0.008690 logG= 0.008301 Density= 0.005694 ETOT(band)= -0.000006 trlgG= 0.008215 logG= 0.008301 TDE= -0.005586 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019216 tlogG= -0.011484 logG= -0.030699 Density= 0.275510 ETOT(band)= -0.000834 trlgG= -0.035984 logG= -0.030699 TDE= -0.271437 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009701 tlogG= -0.004834 logG= -0.014535 Density= 0.132365 ETOT(band)= -0.004922 trlgG= -0.021825 logG= -0.014535 TDE= -0.135158 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019300 tlogG= -0.010532 logG= -0.029833 Density= 0.279854 ETOT(band)= 0.004227 trlgG= -0.030163 logG= -0.029833 TDE= -0.270679 logGD-logG0= -0.009610 tlogG= -0.005450 logG= -0.015061 Density= 0.132940 ETOT(band)= -0.004916 trlgG= -0.021999 logG= -0.015061 TDE= -0.135364 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018910 tlogG= -0.013778 logG= -0.032688 Density= 0.274877 ETOT(band)= -0.000128 trlgG= -0.036935 logG= -0.032688 TDE= -0.269787 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019616 tlogG= -0.012934 logG= -0.032550 Density= 0.290671 ETOT(band)= 0.013811 trlgG= -0.023420 logG= -0.032550 TDE= -0.271668 logGD-logG0= -0.019192 tlogG= -0.010863 logG= -0.030055 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.271764 ETOT(band)= -0.003878 trlgG= -0.038486 logG= -0.030055 TDE= -0.270963 logGD-logG0= -0.009683 tlogG= -0.005237 logG= -0.014920 Density= 0.140734 ETOT(band)= 0.002634 trlgG= -0.014612 logG= -0.014920 TDE= -0.135645 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009494 tlogG= -0.006851 logG= -0.016345 Density= 0.138076 ETOT(band)= 0.000202 trlgG= -0.018215 logG= -0.016345 TDE= -0.135256 logGD-logG0= -0.019241 tlogG= -0.011675 logG= -0.030916 Density= 0.269264 ETOT(band)= -0.007521 trlgG= -0.042789 logG= -0.030916 TDE= -0.271991 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009603 tlogG= -0.005142 logG= -0.014745 Density= 0.136196 ETOT(band)= -0.001741 trlgG= -0.018581 logG= -0.014745 TDE= -0.135406 logGD-logG0= -0.019294 tlogG= -0.010096 logG= -0.029390 Density= 0.268882 ETOT(band)= -0.006562 trlgG= -0.040318 logG= -0.029390 TDE= -0.270677 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019272 tlogG= -0.010620 logG= -0.029891 logGD-logG0= -0.009687 tlogG= -0.006622 logG= -0.016309 Density= 0.272892 ETOT(band)= -0.003372 trlgG= -0.037652 logG= -0.029891 TDE= -0.271383 Density= 0.143946 ETOT(band)= 0.006134 trlgG= -0.012457 logG= -0.016309 TDE= -0.135205 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009815 tlogG= -0.006069 logG= -0.015884 logGD-logG0= -0.019487 tlogG= -0.011940 logG= -0.031428 Density= 0.144850 ETOT(band)= 0.006197 trlgG= -0.012041 logG= -0.015884 TDE= -0.136088 Density= 0.281556 ETOT(band)= 0.003527 trlgG= -0.032553 logG= -0.031428 TDE= -0.273118 logGD-logG0= -0.019403 tlogG= -0.011185 logG= -0.030589 logGD-logG0= -0.009538 tlogG= -0.005632 logG= -0.015171 Density= 0.279657 ETOT(band)= 0.003024 trlgG= -0.032240 logG= -0.030589 TDE= -0.271810 Density= 0.136797 ETOT(band)= -0.000790 trlgG= -0.018263 logG= -0.015171 TDE= -0.135243 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009626 tlogG= -0.005282 logG= -0.014908 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136928 ETOT(band)= -0.001142 trlgG= -0.018287 logG= -0.014908 TDE= -0.135656 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004813 tlogG= -0.002665 logG= -0.007478 Density= 0.068502 ETOT(band)= -0.000590 trlgG= -0.009180 logG= -0.007478 TDE= -0.067877 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009619 tlogG= -0.005492 logG= -0.015111 Density= 0.135580 ETOT(band)= -0.002642 trlgG= -0.019818 logG= -0.015111 TDE= -0.135681 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019113 tlogG= -0.012155 logG= -0.031268 Density= 0.278042 ETOT(band)= 0.001702 trlgG= -0.034228 logG= -0.031268 TDE= -0.271557 logGD-logG0= -0.019642 tlogG= -0.012846 logG= -0.032488 Density= 0.287549 ETOT(band)= 0.008477 trlgG= -0.028804 logG= -0.032488 TDE= -0.274098 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004804 tlogG= -0.002574 logG= -0.007378 Density= 0.065597 ETOT(band)= -0.002985 trlgG= -0.011375 logG= -0.007378 TDE= -0.067366 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019245 tlogG= -0.010194 logG= -0.029439 Density= 0.266103 ETOT(band)= -0.008442 trlgG= -0.042258 logG= -0.029439 TDE= -0.269883 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019008 tlogG= -0.012410 logG= -0.031419 Density= 0.278643 ETOT(band)= 0.004023 trlgG= -0.032127 logG= -0.031419 TDE= -0.269887 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019010 tlogG= -0.011692 logG= -0.030701 Density= 0.276180 ETOT(band)= 0.001464 trlgG= -0.033725 logG= -0.030701 TDE= -0.269823 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009511 tlogG= -0.006637 logG= -0.016148 Density= 0.137443 ETOT(band)= -0.000717 trlgG= -0.019185 logG= -0.016148 TDE= -0.135811 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002445 tlogG= -0.001892 logG= -0.004337 Density= 0.036986 ETOT(band)= 0.002366 trlgG= -0.002567 logG= -0.004337 TDE= -0.033960 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009418 tlogG= -0.007765 logG= -0.017183 Density= 0.138143 ETOT(band)= 0.001347 trlgG= -0.017729 logG= -0.017183 TDE= -0.133997 logGD-logG0= -0.009442 tlogG= -0.006838 logG= -0.016280 Density= 0.138706 ETOT(band)= 0.001548 trlgG= -0.016927 logG= -0.016280 TDE= -0.134641 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002393 tlogG= -0.001982 logG= -0.004375 Density= 0.035861 ETOT(band)= 0.001548 trlgG= -0.003368 logG= -0.004375 TDE= -0.033636 logGD-logG0= -0.002343 tlogG= -0.002350 logG= -0.004693 Density= 0.034801 ETOT(band)= 0.000582 trlgG= -0.004605 logG= -0.004693 TDE= -0.033531 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019367 tlogG= -0.012121 logG= -0.031488 Density= 0.282356 ETOT(band)= 0.005603 trlgG= -0.030553 logG= -0.031488 TDE= -0.271830 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009481 tlogG= -0.007363 logG= -0.016844 Density= 0.140961 ETOT(band)= 0.004101 trlgG= -0.014971 logG= -0.016844 TDE= -0.134300 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009465 tlogG= -0.007408 logG= -0.016873 Density= 0.137037 ETOT(band)= -0.000002 trlgG= -0.018788 logG= -0.016873 TDE= -0.134297 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009399 tlogG= -0.007995 logG= -0.017394 Density= 0.138432 ETOT(band)= 0.001747 trlgG= -0.017547 logG= -0.017394 TDE= -0.133883 logGD-logG0= -0.009735 tlogG= -0.007238 logG= -0.016972 Density= 0.145269 ETOT(band)= 0.007693 trlgG= -0.011492 logG= -0.016972 TDE= -0.134854 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009429 tlogG= -0.008465 logG= -0.017894 Density= 0.140759 ETOT(band)= 0.003831 trlgG= -0.016152 logG= -0.017894 TDE= -0.134235 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004786 tlogG= -0.002838 logG= -0.007624 Density= 0.068562 ETOT(band)= 0.000400 trlgG= -0.008427 logG= -0.007624 TDE= -0.067036 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018834 tlogG= -0.015818 logG= -0.034652 Density= 0.279970 ETOT(band)= 0.006435 trlgG= -0.032370 logG= -0.034652 TDE= -0.268179 logGD-logG0= -0.009683 tlogG= -0.004970 logG= -0.014653 Density= 0.132030 ETOT(band)= -0.004538 trlgG= -0.021576 logG= -0.014653 TDE= -0.134469 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009363 tlogG= -0.009067 logG= -0.018431 Density= 0.139304 ETOT(band)= 0.002449 trlgG= -0.017922 logG= -0.018431 TDE= -0.134063 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009824 tlogG= -0.006818 logG= -0.016642 Density= 0.146119 ETOT(band)= 0.008142 trlgG= -0.010890 logG= -0.016642 TDE= -0.135404 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009812 tlogG= -0.006597 logG= -0.016409 Density= 0.144554 ETOT(band)= 0.004741 trlgG= -0.014118 logG= -0.016409 TDE= -0.137353 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018940 tlogG= -0.014007 logG= -0.032947 Density= 0.276809 ETOT(band)= 0.003283 trlgG= -0.033945 logG= -0.032947 TDE= -0.268404 logGD-logG0= -0.009531 tlogG= -0.007573 logG= -0.017104 Density= 0.142636 ETOT(band)= 0.005588 trlgG= -0.013731 logG= -0.017104 TDE= -0.134418 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009499 tlogG= -0.006703 logG= -0.016202 logGD-logG0= -0.009697 tlogG= -0.005739 logG= -0.015435 Density= 0.140755 ETOT(band)= 0.004144 trlgG= -0.014397 logG= -0.016202 TDE= -0.134168 Density= 0.142278 ETOT(band)= 0.005114 trlgG= -0.012876 logG= -0.015435 TDE= -0.134886 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009517 tlogG= -0.006365 logG= -0.015882 Density= 0.136951 ETOT(band)= 0.000115 trlgG= -0.017954 logG= -0.015882 TDE= -0.134371 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019094 tlogG= -0.011746 logG= -0.030840 Density= 0.276816 ETOT(band)= 0.003566 trlgG= -0.032112 logG= -0.030840 TDE= -0.268685 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019188 tlogG= -0.013320 logG= -0.032508 Density= 0.285219 ETOT(band)= 0.011011 trlgG= -0.026255 logG= -0.032508 TDE= -0.269278 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019214 tlogG= -0.010610 logG= -0.029824 Density= 0.277052 ETOT(band)= 0.002400 trlgG= -0.032376 logG= -0.029824 TDE= -0.270194 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004698 tlogG= -0.004034 logG= -0.008732 Density= 0.069799 ETOT(band)= 0.001450 trlgG= -0.008292 logG= -0.008732 TDE= -0.066988 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009617 tlogG= -0.005340 logG= -0.014957 Density= 0.134501 ETOT(band)= -0.002242 trlgG= -0.019436 logG= -0.014957 TDE= -0.134412 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003114 tlogG= 0.069643 logG= 0.066529 logGD-logG0= -0.003140 tlogG= 0.070321 logG= 0.067181 Density= 0.046134 ETOT(band)= 0.000540 trlgG= 0.067120 logG= 0.067181 TDE= -0.044627 Density= 0.045676 ETOT(band)= 0.000083 trlgG= 0.065973 logG= 0.066529 TDE= -0.044681 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003122 tlogG= 0.069923 logG= 0.066802 Density= 0.046055 ETOT(band)= 0.000431 trlgG= 0.066628 logG= 0.066802 TDE= -0.044664 logGD-logG0= -0.002336 tlogG= 0.052251 logG= 0.049915 Density= 0.034325 ETOT(band)= 0.000117 trlgG= 0.049562 logG= 0.049915 TDE= -0.033513 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009413 tlogG= 0.210840 logG= 0.201426 Density= 0.139077 ETOT(band)= 0.002258 trlgG= 0.201773 logG= 0.201426 TDE= -0.134006 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009359 tlogG= 0.209783 logG= 0.200424 Density= 0.138149 ETOT(band)= 0.001340 trlgG= 0.199865 logG= 0.200424 TDE= -0.134015 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009464 tlogG= -0.006910 logG= -0.016374 Density= 0.139042 ETOT(band)= 0.002508 trlgG= -0.016049 logG= -0.016374 TDE= -0.133995 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009393 tlogG= 0.210482 logG= 0.201089 Density= 0.138698 ETOT(band)= 0.001913 trlgG= 0.201117 logG= 0.201089 TDE= -0.133959 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004672 tlogG= 0.104711 logG= 0.100039 Density= 0.068911 ETOT(band)= 0.000484 trlgG= 0.099597 logG= 0.100039 TDE= -0.067012 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.84395076508141 eV TrLogG= -11.6472443719472 eV Ratio to renormalize= 0.999999999737 rho-rho_expected= 0.000000004212 nargs= 1 argi=dmft2.def 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 25) Finished k-point number 26 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 33) Finished k-point number 34 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 45) Finished k-point number 46 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 89) Finished k-point number 90 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 91) Finished k-point number 92 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 55) Finished k-point number 56 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 58) Finished k-point number 59 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 61) Finished k-point number 62 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933084910827740 0.929944929621205 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 79) Finished k-point number 80 1 with #bands= 20 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 71) Finished k-point number 72 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 81) Finished k-point number 82 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 87) Finished k-point number 88 1 with #bands= 18 28) Finished k-point number 29 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 61) Finished k-point number 62 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1435470490549 Density= 16.0000410460968 16.0000000000000 EF 12.8714332169414 Density= 15.3647862459737 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96603298 0.94603298 0.410461E-04 -0.635214 1 0.96603168 0.94603298 0.525313E-05 -0.635214 2 0.96603149 0.96603168 -0.245315E-11 0.525313E-05 Absolute convergence of |F(X)|. Difference in EF= -0.0000201627 EF set to : 13.1435268864 new EF (no-mixing): 13.1435268864 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001217 tlogG= -0.001258 logG= -0.002474 Density= 0.018876 ETOT(band)= 0.000999 trlgG= -0.001769 logG= -0.002474 TDE= -0.017529 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009712 tlogG= -0.009601 logG= -0.019313 Density= 0.150906 ETOT(band)= 0.008251 trlgG= -0.013422 logG= -0.019313 TDE= -0.139889 logGD-logG0= -0.002426 tlogG= -0.002421 logG= -0.004848 Density= 0.037701 ETOT(band)= 0.002092 trlgG= -0.003349 logG= -0.004848 TDE= -0.034921 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004852 tlogG= -0.004655 logG= -0.009507 Density= 0.075428 ETOT(band)= 0.004207 trlgG= -0.006483 logG= -0.009507 TDE= -0.069842 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002431 tlogG= -0.002100 logG= -0.004531 Density= 0.037247 ETOT(band)= 0.002124 trlgG= -0.003056 logG= -0.004531 TDE= -0.034507 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001584 tlogG= -0.001314 logG= -0.002898 Density= 0.022675 ETOT(band)= -0.000449 trlgG= -0.003691 logG= -0.002898 TDE= -0.022697 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009735 tlogG= -0.008141 logG= -0.017875 Density= 0.149794 ETOT(band)= 0.008660 trlgG= -0.011724 logG= -0.017875 TDE= -0.138555 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004870 tlogG= -0.004233 logG= -0.009104 logGD-logG0= -0.009739 tlogG= -0.008745 logG= -0.018485 Density= 0.149947 ETOT(band)= 0.008690 trlgG= -0.012310 logG= -0.018485 TDE= -0.138679 Density= 0.075071 ETOT(band)= 0.004225 trlgG= -0.006133 logG= -0.009104 TDE= -0.069551 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009737 tlogG= -0.006773 logG= -0.016510 Density= 0.145235 ETOT(band)= 0.005282 trlgG= -0.013700 logG= -0.016510 TDE= -0.137491 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009709 tlogG= -0.007884 logG= -0.017593 Density= 0.149280 ETOT(band)= 0.009196 trlgG= -0.010895 logG= -0.017593 TDE= -0.137511 logGD-logG0= -0.009748 tlogG= -0.008877 logG= -0.018624 Density= 0.150408 ETOT(band)= 0.008693 trlgG= -0.012395 logG= -0.018624 TDE= -0.139070 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019468 tlogG= -0.016061 logG= -0.035529 Density= 0.299728 ETOT(band)= 0.017230 trlgG= -0.023317 logG= -0.035529 TDE= -0.277335 logGD-logG0= -0.019435 tlogG= -0.014947 logG= -0.034382 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.298293 ETOT(band)= 0.017876 trlgG= -0.021404 logG= -0.034382 TDE= -0.275182 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009737 tlogG= -0.006728 logG= -0.016465 Density= 0.147389 ETOT(band)= 0.007509 trlgG= -0.011449 logG= -0.016465 TDE= -0.137365 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009498 tlogG= -0.007450 logG= -0.016947 Density= 0.136170 ETOT(band)= -0.002332 trlgG= -0.021484 logG= -0.016947 TDE= -0.136081 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009491 tlogG= -0.007366 logG= -0.016856 Density= 0.136030 ETOT(band)= -0.002286 trlgG= -0.021365 logG= -0.016856 TDE= -0.135918 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003163 tlogG= -0.002525 logG= -0.005688 Density= 0.045166 ETOT(band)= -0.000905 trlgG= -0.007325 logG= -0.005688 TDE= -0.045268 logGD-logG0= -0.003117 tlogG= -0.002605 logG= -0.005722 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.045706 ETOT(band)= 0.000042 trlgG= -0.006261 logG= -0.005722 TDE= -0.044692 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003145 tlogG= -0.002551 logG= -0.005697 Density= 0.045413 ETOT(band)= -0.000484 trlgG= -0.006840 logG= -0.005697 TDE= -0.045013 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009476 tlogG= -0.007292 logG= -0.016767 Density= 0.136079 ETOT(band)= -0.001893 trlgG= -0.020856 logG= -0.016767 TDE= -0.135545 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009504 tlogG= -0.006665 logG= -0.016170 Density= 0.137495 ETOT(band)= -0.000745 trlgG= -0.019203 logG= -0.016170 TDE= -0.135857 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009798 tlogG= -0.007233 logG= -0.017030 Density= 0.147538 ETOT(band)= 0.008013 trlgG= -0.011526 logG= -0.017030 TDE= -0.137022 logGD-logG0= -0.009419 tlogG= -0.007365 logG= -0.016785 Density= 0.136789 ETOT(band)= -0.000556 trlgG= -0.019296 logG= -0.016785 TDE= -0.134653 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009742 tlogG= -0.007647 logG= -0.017389 logGD-logG0= -0.009476 tlogG= -0.006537 logG= -0.016013 Density= 0.148582 ETOT(band)= 0.009321 trlgG= -0.010573 logG= -0.017389 TDE= -0.136718 Density= 0.137214 ETOT(band)= -0.000531 trlgG= -0.018788 logG= -0.016013 TDE= -0.135327 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009455 tlogG= -0.007324 logG= -0.016779 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136318 ETOT(band)= -0.001480 trlgG= -0.020371 logG= -0.016779 TDE= -0.135280 logGD-logG0= -0.009800 tlogG= -0.006538 logG= -0.016338 Density= 0.143388 ETOT(band)= 0.004106 trlgG= -0.014568 logG= -0.016338 TDE= -0.136747 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009599 tlogG= -0.006386 logG= -0.015985 Density= 0.140391 ETOT(band)= 0.002386 trlgG= -0.015906 logG= -0.015985 TDE= -0.135543 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004803 tlogG= -0.003094 logG= -0.007897 logGD-logG0= -0.009442 tlogG= -0.006840 logG= -0.016282 Density= 0.067312 ETOT(band)= -0.002042 trlgG= -0.011026 logG= -0.007897 TDE= -0.068154 Density= 0.138706 ETOT(band)= 0.001548 trlgG= -0.016929 logG= -0.016282 TDE= -0.134641 logGD-logG0= -0.009560 tlogG= -0.005953 logG= -0.015513 Density= 0.137917 ETOT(band)= -0.000216 trlgG= -0.018000 logG= -0.015513 TDE= -0.135720 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009494 tlogG= -0.006852 logG= -0.016346 logGD-logG0= -0.009537 tlogG= -0.005631 logG= -0.015168 Density= 0.138076 ETOT(band)= 0.000201 trlgG= -0.018217 logG= -0.016346 TDE= -0.135256 Density= 0.136794 ETOT(band)= -0.000794 trlgG= -0.018264 logG= -0.015168 TDE= -0.135243 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009608 tlogG= -0.006018 logG= -0.015626 logGD-logG0= -0.009512 tlogG= -0.006637 logG= -0.016150 Density= 0.135482 ETOT(band)= -0.002900 trlgG= -0.020698 logG= -0.015626 TDE= -0.135953 Density= 0.137444 ETOT(band)= -0.000716 trlgG= -0.019186 logG= -0.016150 TDE= -0.135811 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009687 tlogG= -0.006623 logG= -0.016310 logGD-logG0= -0.004804 tlogG= -0.002573 logG= -0.007377 Density= 0.065589 ETOT(band)= -0.002993 trlgG= -0.011381 logG= -0.007377 TDE= -0.067366 Density= 0.143949 ETOT(band)= 0.006136 trlgG= -0.012456 logG= -0.016310 TDE= -0.135205 logGD-logG0= -0.009589 tlogG= -0.005620 logG= -0.015209 Density= 0.133433 ETOT(band)= -0.004471 trlgG= -0.021752 logG= -0.015209 TDE= -0.135444 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009497 tlogG= -0.006857 logG= -0.016354 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137045 ETOT(band)= -0.001259 trlgG= -0.019922 logG= -0.016354 TDE= -0.135958 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009574 tlogG= -0.006157 logG= -0.015730 Density= 0.138523 ETOT(band)= 0.000354 trlgG= -0.017581 logG= -0.015730 TDE= -0.135668 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019642 tlogG= -0.012848 logG= -0.032489 Density= 0.287554 ETOT(band)= 0.008481 trlgG= -0.028801 logG= -0.032489 TDE= -0.274098 logGD-logG0= -0.019095 tlogG= -0.012004 logG= -0.031099 Density= 0.277690 ETOT(band)= 0.001650 trlgG= -0.034082 logG= -0.031099 TDE= -0.271240 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009812 tlogG= -0.006598 logG= -0.016410 Density= 0.144556 ETOT(band)= 0.004742 trlgG= -0.014117 logG= -0.016410 TDE= -0.137353 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018981 tlogG= -0.013723 logG= -0.032704 Density= 0.274239 ETOT(band)= -0.001918 trlgG= -0.039113 logG= -0.032704 TDE= -0.271332 logGD-logG0= -0.019113 tlogG= -0.012156 logG= -0.031269 Density= 0.278041 ETOT(band)= 0.001699 trlgG= -0.034230 logG= -0.031269 TDE= -0.271558 logGD-logG0= -0.019009 tlogG= -0.012411 logG= -0.031420 Density= 0.278646 ETOT(band)= 0.004026 trlgG= -0.032127 logG= -0.031420 TDE= -0.269887 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004893 tlogG= -0.003617 logG= -0.008510 Density= 0.074605 ETOT(band)= 0.004328 trlgG= -0.005415 logG= -0.008510 TDE= -0.068975 logGD-logG0= -0.019245 tlogG= -0.010197 logG= -0.029442 logGD-logG0= -0.019191 tlogG= -0.010864 logG= -0.030055 Density= 0.271766 ETOT(band)= -0.003878 trlgG= -0.038485 logG= -0.030055 TDE= -0.270964 Density= 0.266105 ETOT(band)= -0.008442 trlgG= -0.042260 logG= -0.029442 TDE= -0.269884 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019216 tlogG= -0.011488 logG= -0.030704 logGD-logG0= -0.019367 tlogG= -0.012122 logG= -0.031490 Density= 0.282361 ETOT(band)= 0.005606 trlgG= -0.030551 logG= -0.031490 TDE= -0.271831 Density= 0.275510 ETOT(band)= -0.000836 trlgG= -0.035990 logG= -0.030704 TDE= -0.271437 logGD-logG0= -0.019301 tlogG= -0.010528 logG= -0.029828 Density= 0.279850 ETOT(band)= 0.004222 trlgG= -0.030164 logG= -0.029828 TDE= -0.270679 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000389 tlogG= 0.008690 logG= 0.008301 Density= 0.005694 ETOT(band)= -0.000006 trlgG= 0.008215 logG= 0.008301 TDE= -0.005586 logGD-logG0= -0.019084 tlogG= -0.012311 logG= -0.031395 Density= 0.277718 ETOT(band)= 0.001958 trlgG= -0.033914 logG= -0.031395 TDE= -0.270804 logGD-logG0= -0.009700 tlogG= -0.004833 logG= -0.014532 Density= 0.132360 ETOT(band)= -0.004927 trlgG= -0.021827 logG= -0.014532 TDE= -0.135159 logGD-logG0= -0.019616 tlogG= -0.012934 logG= -0.032550 logGD-logG0= -0.019241 tlogG= -0.011673 logG= -0.030914 Density= 0.290677 ETOT(band)= 0.013817 trlgG= -0.023416 logG= -0.032550 TDE= -0.271669 Density= 0.269265 ETOT(band)= -0.007521 trlgG= -0.042787 logG= -0.030914 TDE= -0.271991 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019008 tlogG= -0.011689 logG= -0.030697 Density= 0.276184 ETOT(band)= 0.001466 trlgG= -0.033718 logG= -0.030697 TDE= -0.269823 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009608 tlogG= -0.005447 logG= -0.015056 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.132929 ETOT(band)= -0.004929 trlgG= -0.022006 logG= -0.015056 TDE= -0.135364 logGD-logG0= -0.018910 tlogG= -0.013772 logG= -0.032682 Density= 0.274880 ETOT(band)= -0.000125 trlgG= -0.036926 logG= -0.032682 TDE= -0.269787 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009683 tlogG= -0.005238 logG= -0.014922 Density= 0.140735 ETOT(band)= 0.002635 trlgG= -0.014612 logG= -0.014922 TDE= -0.135645 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019487 tlogG= -0.011941 logG= -0.031428 Density= 0.281551 ETOT(band)= 0.003521 trlgG= -0.032558 logG= -0.031428 TDE= -0.273118 logGD-logG0= -0.009604 tlogG= -0.005145 logG= -0.014750 Density= 0.136196 ETOT(band)= -0.001741 trlgG= -0.018586 logG= -0.014750 TDE= -0.135406 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019269 tlogG= -0.010620 logG= -0.029889 logGD-logG0= -0.009815 tlogG= -0.006069 logG= -0.015884 Density= 0.144851 ETOT(band)= 0.006198 trlgG= -0.012041 logG= -0.015884 TDE= -0.136088 Density= 0.272900 ETOT(band)= -0.003367 trlgG= -0.037643 logG= -0.029889 TDE= -0.271384 logGD-logG0= -0.019213 tlogG= -0.010605 logG= -0.029818 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019292 tlogG= -0.010096 logG= -0.029388 Density= 0.276990 ETOT(band)= 0.002337 trlgG= -0.032431 logG= -0.029818 TDE= -0.270194 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.268875 ETOT(band)= -0.006571 trlgG= -0.040323 logG= -0.029388 TDE= -0.270677 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019404 tlogG= -0.011186 logG= -0.030589 Density= 0.279663 ETOT(band)= 0.003028 trlgG= -0.032237 logG= -0.030589 TDE= -0.271810 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004813 tlogG= -0.002665 logG= -0.007479 Density= 0.068502 ETOT(band)= -0.000590 trlgG= -0.009180 logG= -0.007479 TDE= -0.067877 logGD-logG0= -0.009626 tlogG= -0.005283 logG= -0.014909 logGD-logG0= -0.009619 tlogG= -0.005492 logG= -0.015111 Density= 0.135580 ETOT(band)= -0.002642 trlgG= -0.019817 logG= -0.015111 TDE= -0.135681 Density= 0.136928 ETOT(band)= -0.001142 trlgG= -0.018288 logG= -0.014909 TDE= -0.135656 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002446 tlogG= -0.001892 logG= -0.004337 Density= 0.036986 ETOT(band)= 0.002366 trlgG= -0.002567 logG= -0.004337 TDE= -0.033960 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009417 tlogG= -0.007764 logG= -0.017181 Density= 0.138143 ETOT(band)= 0.001346 trlgG= -0.017727 logG= -0.017181 TDE= -0.133997 logGD-logG0= -0.002343 tlogG= -0.002350 logG= -0.004693 Density= 0.034801 ETOT(band)= 0.000581 trlgG= -0.004605 logG= -0.004693 TDE= -0.033531 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009464 tlogG= -0.007408 logG= -0.016872 Density= 0.137038 ETOT(band)= -0.000003 trlgG= -0.018786 logG= -0.016872 TDE= -0.134297 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002393 tlogG= -0.001982 logG= -0.004375 Density= 0.035861 ETOT(band)= 0.001548 trlgG= -0.003368 logG= -0.004375 TDE= -0.033636 logGD-logG0= -0.009398 tlogG= -0.007996 logG= -0.017394 Density= 0.138432 ETOT(band)= 0.001746 trlgG= -0.017547 logG= -0.017394 TDE= -0.133883 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009735 tlogG= -0.007238 logG= -0.016972 Density= 0.145270 ETOT(band)= 0.007694 trlgG= -0.011491 logG= -0.016972 TDE= -0.134855 logGD-logG0= -0.009429 tlogG= -0.008466 logG= -0.017895 Density= 0.140758 ETOT(band)= 0.003830 trlgG= -0.016154 logG= -0.017895 TDE= -0.134235 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009481 tlogG= -0.007364 logG= -0.016845 Density= 0.140961 ETOT(band)= 0.004101 trlgG= -0.014972 logG= -0.016845 TDE= -0.134300 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004698 tlogG= -0.004035 logG= -0.008733 Density= 0.069799 ETOT(band)= 0.001450 trlgG= -0.008292 logG= -0.008733 TDE= -0.066988 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009516 tlogG= -0.006365 logG= -0.015881 Density= 0.136953 ETOT(band)= 0.000115 trlgG= -0.017952 logG= -0.015881 TDE= -0.134372 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009463 tlogG= -0.006910 logG= -0.016373 Density= 0.139042 ETOT(band)= 0.002506 trlgG= -0.016049 logG= -0.016373 TDE= -0.133995 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009616 tlogG= -0.005339 logG= -0.014955 Density= 0.134501 ETOT(band)= -0.002243 trlgG= -0.019435 logG= -0.014955 TDE= -0.134412 logGD-logG0= -0.019188 tlogG= -0.013321 logG= -0.032509 Density= 0.285220 ETOT(band)= 0.011010 trlgG= -0.026256 logG= -0.032509 TDE= -0.269278 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004786 tlogG= -0.002838 logG= -0.007624 Density= 0.068566 ETOT(band)= 0.000403 trlgG= -0.008424 logG= -0.007624 TDE= -0.067037 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018941 tlogG= -0.014009 logG= -0.032950 Density= 0.276809 ETOT(band)= 0.003283 trlgG= -0.033948 logG= -0.032950 TDE= -0.268404 logGD-logG0= -0.009683 tlogG= -0.004968 logG= -0.014652 logGD-logG0= -0.009531 tlogG= -0.007573 logG= -0.017104 Density= 0.132026 ETOT(band)= -0.004542 trlgG= -0.021579 logG= -0.014652 TDE= -0.134469 Density= 0.142636 ETOT(band)= 0.005588 trlgG= -0.013732 logG= -0.017104 TDE= -0.134418 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018835 tlogG= -0.015820 logG= -0.034655 logGD-logG0= -0.009363 tlogG= -0.009068 logG= -0.018431 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.279970 ETOT(band)= 0.006434 trlgG= -0.032374 logG= -0.034655 TDE= -0.268179 Density= 0.139304 ETOT(band)= 0.002449 trlgG= -0.017923 logG= -0.018431 TDE= -0.134063 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019097 tlogG= -0.011750 logG= -0.030848 Density= 0.276816 ETOT(band)= 0.003567 trlgG= -0.032121 logG= -0.030848 TDE= -0.268686 logGD-logG0= -0.009824 tlogG= -0.006819 logG= -0.016642 Density= 0.146120 ETOT(band)= 0.008142 trlgG= -0.010890 logG= -0.016642 TDE= -0.135404 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009697 tlogG= -0.005739 logG= -0.015436 Density= 0.142279 ETOT(band)= 0.005114 trlgG= -0.012876 logG= -0.015436 TDE= -0.134886 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009500 tlogG= -0.006703 logG= -0.016203 Density= 0.140758 ETOT(band)= 0.004147 trlgG= -0.014395 logG= -0.016203 TDE= -0.134169 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003114 tlogG= 0.069642 logG= 0.066529 Density= 0.045677 ETOT(band)= 0.000083 trlgG= 0.065973 logG= 0.066529 TDE= -0.044681 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003121 tlogG= 0.069923 logG= 0.066802 Density= 0.046055 ETOT(band)= 0.000431 trlgG= 0.066628 logG= 0.066802 TDE= -0.044664 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003140 tlogG= 0.070320 logG= 0.067180 Density= 0.046134 ETOT(band)= 0.000539 trlgG= 0.067120 logG= 0.067180 TDE= -0.044627 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009413 tlogG= 0.210839 logG= 0.201425 Density= 0.139078 ETOT(band)= 0.002258 trlgG= 0.201772 logG= 0.201425 TDE= -0.134007 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009359 tlogG= 0.209782 logG= 0.200423 Density= 0.138149 ETOT(band)= 0.001340 trlgG= 0.199864 logG= 0.200423 TDE= -0.134016 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004673 tlogG= 0.104711 logG= 0.100038 Density= 0.068911 ETOT(band)= 0.000484 trlgG= 0.099596 logG= 0.100038 TDE= -0.067013 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009393 tlogG= 0.210481 logG= 0.201088 Density= 0.138698 ETOT(band)= 0.001912 trlgG= 0.201116 logG= 0.201088 TDE= -0.133959 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002336 tlogG= 0.052251 logG= 0.049915 Density= 0.034325 ETOT(band)= 0.000117 trlgG= 0.049561 logG= 0.049915 TDE= -0.033513 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.84309240673832 eV TrLogG= -11.6482449018753 eV Ratio to renormalize= 0.999999999737 rho-rho_expected= 0.000000004200 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 31) Finished k-point number 32 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 80) Finished k-point number 81 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 95) Finished k-point number 96 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 89) Finished k-point number 90 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 97) Finished k-point number 98 1 with #bands= 20 99) Finished k-point number 100 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933106399995589 0.929900611754593 7) Finished k-point number 8 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 26) Finished k-point number 27 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 31) Finished k-point number 32 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 75) Finished k-point number 76 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 38) Finished k-point number 39 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 26 97) Finished k-point number 98 1 with #bands= 20 76) Finished k-point number 77 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1435268863764 Density= 16.0020858268533 16.0000000000000 EF 12.8714130542629 Density= 15.3676635079602 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96603149 0.94603149 0.208583E-02 -0.632336 1 0.96596574 0.94603149 0.266324E-03 -0.632336 2 0.96595612 0.96596574 -0.603500E-08 0.266324E-03 3 0.96595612 0.96595612 0.344613E-12 -0.603500E-08 Absolute convergence of |F(X)|. Difference in EF= -0.0010255368 EF set to : 13.1425013496 new EF (no-mixing): 13.1425013496 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001217 tlogG= -0.001258 logG= -0.002474 Density= 0.018877 ETOT(band)= 0.000999 trlgG= -0.001769 logG= -0.002474 TDE= -0.017528 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009712 tlogG= -0.009600 logG= -0.019311 Density= 0.150912 ETOT(band)= 0.008248 trlgG= -0.013422 logG= -0.019311 TDE= -0.139885 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002426 tlogG= -0.002421 logG= -0.004847 Density= 0.037703 ETOT(band)= 0.002092 trlgG= -0.003349 logG= -0.004847 TDE= -0.034921 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004852 tlogG= -0.004654 logG= -0.009506 Density= 0.075432 ETOT(band)= 0.004206 trlgG= -0.006482 logG= -0.009506 TDE= -0.069840 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002431 tlogG= -0.002100 logG= -0.004531 Density= 0.037250 ETOT(band)= 0.002124 trlgG= -0.003055 logG= -0.004531 TDE= -0.034506 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009734 tlogG= -0.008140 logG= -0.017874 Density= 0.149802 ETOT(band)= 0.008658 trlgG= -0.011724 logG= -0.017874 TDE= -0.138552 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009737 tlogG= -0.006773 logG= -0.016510 Density= 0.145224 ETOT(band)= 0.005261 trlgG= -0.013718 logG= -0.016510 TDE= -0.137488 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001584 tlogG= -0.001314 logG= -0.002898 Density= 0.022675 ETOT(band)= -0.000450 trlgG= -0.003691 logG= -0.002898 TDE= -0.022697 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004870 tlogG= -0.004233 logG= -0.009103 Density= 0.075075 ETOT(band)= 0.004224 trlgG= -0.006133 logG= -0.009103 TDE= -0.069549 logGD-logG0= -0.009739 tlogG= -0.008745 logG= -0.018484 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.149956 ETOT(band)= 0.008689 trlgG= -0.012308 logG= -0.018484 TDE= -0.138676 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009747 tlogG= -0.008876 logG= -0.018623 Density= 0.150416 ETOT(band)= 0.008691 trlgG= -0.012394 logG= -0.018623 TDE= -0.139066 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019467 tlogG= -0.016059 logG= -0.035526 Density= 0.299744 ETOT(band)= 0.017227 trlgG= -0.023315 logG= -0.035526 TDE= -0.277329 logGD-logG0= -0.009708 tlogG= -0.007884 logG= -0.017592 Density= 0.149288 ETOT(band)= 0.009195 trlgG= -0.010894 logG= -0.017592 TDE= -0.137508 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019434 tlogG= -0.014946 logG= -0.034380 Density= 0.298309 ETOT(band)= 0.017872 trlgG= -0.021402 logG= -0.034380 TDE= -0.275176 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009736 tlogG= -0.006728 logG= -0.016464 Density= 0.147394 ETOT(band)= 0.007505 trlgG= -0.011451 logG= -0.016464 TDE= -0.137363 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003163 tlogG= -0.002525 logG= -0.005687 Density= 0.045167 ETOT(band)= -0.000907 trlgG= -0.007326 logG= -0.005687 TDE= -0.045267 logGD-logG0= -0.003117 tlogG= -0.002605 logG= -0.005723 Density= 0.045707 ETOT(band)= 0.000040 trlgG= -0.006264 logG= -0.005723 TDE= -0.044691 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009497 tlogG= -0.007449 logG= -0.016947 Density= 0.136174 ETOT(band)= -0.002339 trlgG= -0.021488 logG= -0.016947 TDE= -0.136079 logGD-logG0= -0.003145 tlogG= -0.002552 logG= -0.005697 Density= 0.045415 ETOT(band)= -0.000486 trlgG= -0.006842 logG= -0.005697 TDE= -0.045013 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009490 tlogG= -0.007366 logG= -0.016856 Density= 0.136034 ETOT(band)= -0.002292 trlgG= -0.021369 logG= -0.016856 TDE= -0.135917 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009476 tlogG= -0.007295 logG= -0.016770 Density= 0.136083 ETOT(band)= -0.001899 trlgG= -0.020863 logG= -0.016770 TDE= -0.135544 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009504 tlogG= -0.006668 logG= -0.016171 Density= 0.137496 ETOT(band)= -0.000754 trlgG= -0.019211 logG= -0.016171 TDE= -0.135855 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009797 tlogG= -0.007231 logG= -0.017028 Density= 0.147544 ETOT(band)= 0.008009 trlgG= -0.011526 logG= -0.017028 TDE= -0.137019 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009476 tlogG= -0.006537 logG= -0.016013 Density= 0.137217 ETOT(band)= -0.000538 trlgG= -0.018793 logG= -0.016013 TDE= -0.135326 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009800 tlogG= -0.006538 logG= -0.016338 Density= 0.143386 ETOT(band)= 0.004096 trlgG= -0.014577 logG= -0.016338 TDE= -0.136744 logGD-logG0= -0.009742 tlogG= -0.007646 logG= -0.017388 Density= 0.148588 ETOT(band)= 0.009318 trlgG= -0.010573 logG= -0.017388 TDE= -0.136716 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009419 tlogG= -0.007367 logG= -0.016786 Density= 0.136792 ETOT(band)= -0.000562 trlgG= -0.019302 logG= -0.016786 TDE= -0.134652 logGD-logG0= -0.009559 tlogG= -0.005953 logG= -0.015512 Density= 0.137916 ETOT(band)= -0.000227 trlgG= -0.018009 logG= -0.015512 TDE= -0.135718 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009599 tlogG= -0.006386 logG= -0.015985 Density= 0.140388 ETOT(band)= 0.002374 trlgG= -0.015917 logG= -0.015985 TDE= -0.135541 logGD-logG0= -0.009512 tlogG= -0.006637 logG= -0.016149 Density= 0.137446 ETOT(band)= -0.000723 trlgG= -0.019191 logG= -0.016149 TDE= -0.135809 logGD-logG0= -0.009455 tlogG= -0.007327 logG= -0.016782 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136322 ETOT(band)= -0.001486 trlgG= -0.020380 logG= -0.016782 TDE= -0.135279 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009607 tlogG= -0.006017 logG= -0.015624 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.135484 ETOT(band)= -0.002909 trlgG= -0.020704 logG= -0.015624 TDE= -0.135951 logGD-logG0= -0.009589 tlogG= -0.005622 logG= -0.015211 Density= 0.133441 ETOT(band)= -0.004473 trlgG= -0.021756 logG= -0.015211 TDE= -0.135443 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009687 tlogG= -0.006623 logG= -0.016310 logGD-logG0= -0.009541 tlogG= -0.005635 logG= -0.015176 Density= 0.136800 ETOT(band)= -0.000796 trlgG= -0.018274 logG= -0.015176 TDE= -0.135242 Density= 0.143947 ETOT(band)= 0.006125 trlgG= -0.012466 logG= -0.016310 TDE= -0.135202 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004802 tlogG= -0.003093 logG= -0.007895 Density= 0.067313 ETOT(band)= -0.002046 trlgG= -0.011027 logG= -0.007895 TDE= -0.068154 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004805 tlogG= -0.002573 logG= -0.007378 Density= 0.065584 ETOT(band)= -0.003002 trlgG= -0.011393 logG= -0.007378 TDE= -0.067366 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009441 tlogG= -0.006838 logG= -0.016280 Density= 0.138707 ETOT(band)= 0.001539 trlgG= -0.016934 logG= -0.016280 TDE= -0.134639 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009494 tlogG= -0.006852 logG= -0.016347 Density= 0.138078 ETOT(band)= 0.000193 trlgG= -0.018224 logG= -0.016347 TDE= -0.135255 logGD-logG0= -0.009496 tlogG= -0.006863 logG= -0.016359 logGD-logG0= -0.009573 tlogG= -0.006156 logG= -0.015730 Density= 0.137047 ETOT(band)= -0.001268 trlgG= -0.019935 logG= -0.016359 TDE= -0.135956 Density= 0.138522 ETOT(band)= 0.000343 trlgG= -0.017590 logG= -0.015730 TDE= -0.135666 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019093 tlogG= -0.012006 logG= -0.031099 Density= 0.277679 ETOT(band)= 0.001619 trlgG= -0.034109 logG= -0.031099 TDE= -0.271236 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009812 tlogG= -0.006598 logG= -0.016410 Density= 0.144551 ETOT(band)= 0.004728 trlgG= -0.014130 logG= -0.016410 TDE= -0.137350 logGD-logG0= -0.019641 tlogG= -0.012846 logG= -0.032487 Density= 0.287542 ETOT(band)= 0.008450 trlgG= -0.028827 logG= -0.032487 TDE= -0.274093 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019113 tlogG= -0.012158 logG= -0.031271 Density= 0.278039 ETOT(band)= 0.001678 trlgG= -0.034250 logG= -0.031271 TDE= -0.271553 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018981 tlogG= -0.013723 logG= -0.032704 Density= 0.274247 ETOT(band)= -0.001929 trlgG= -0.039122 logG= -0.032704 TDE= -0.271328 logGD-logG0= -0.019193 tlogG= -0.010869 logG= -0.030061 Density= 0.271766 ETOT(band)= -0.003895 trlgG= -0.038507 logG= -0.030061 TDE= -0.270960 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000389 tlogG= 0.008689 logG= 0.008300 Density= 0.005694 ETOT(band)= -0.000007 trlgG= 0.008214 logG= 0.008300 TDE= -0.005586 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.004893 tlogG= -0.003617 logG= -0.008509 Density= 0.074608 ETOT(band)= 0.004327 trlgG= -0.005415 logG= -0.008509 TDE= -0.068973 logGD-logG0= -0.019216 tlogG= -0.011486 logG= -0.030702 Density= 0.275502 ETOT(band)= -0.000861 trlgG= -0.036012 logG= -0.030702 TDE= -0.271433 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019009 tlogG= -0.012409 logG= -0.031418 Density= 0.278644 ETOT(band)= 0.004005 trlgG= -0.032143 logG= -0.031418 TDE= -0.269883 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009700 tlogG= -0.004835 logG= -0.014535 Density= 0.132341 ETOT(band)= -0.004954 trlgG= -0.021856 logG= -0.014535 TDE= -0.135157 logGD-logG0= -0.019244 tlogG= -0.010194 logG= -0.029437 Density= 0.266091 ETOT(band)= -0.008474 trlgG= -0.042285 logG= -0.029437 TDE= -0.269880 logGD-logG0= -0.019008 tlogG= -0.011689 logG= -0.030697 Density= 0.276180 ETOT(band)= 0.001443 trlgG= -0.033738 logG= -0.030697 TDE= -0.269819 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019367 tlogG= -0.012121 logG= -0.031487 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.282348 ETOT(band)= 0.005577 trlgG= -0.030577 logG= -0.031487 TDE= -0.271826 logGD-logG0= -0.009610 tlogG= -0.005447 logG= -0.015057 Density= 0.132934 ETOT(band)= -0.004932 trlgG= -0.022011 logG= -0.015057 TDE= -0.135363 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019616 tlogG= -0.012932 logG= -0.032547 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.290671 ETOT(band)= 0.013792 trlgG= -0.023435 logG= -0.032547 TDE= -0.271664 logGD-logG0= -0.019083 tlogG= -0.012308 logG= -0.031390 Density= 0.277716 ETOT(band)= 0.001937 trlgG= -0.033929 logG= -0.031390 TDE= -0.270800 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018909 tlogG= -0.013774 logG= -0.032683 Density= 0.274884 ETOT(band)= -0.000142 trlgG= -0.036942 logG= -0.032683 TDE= -0.269784 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019300 tlogG= -0.010531 logG= -0.029831 Density= 0.279855 ETOT(band)= 0.004208 trlgG= -0.030178 logG= -0.029831 TDE= -0.270675 logGD-logG0= -0.019270 tlogG= -0.010620 logG= -0.029890 Density= 0.272889 ETOT(band)= -0.003395 trlgG= -0.037671 logG= -0.029890 TDE= -0.271380 logGD-logG0= -0.019402 tlogG= -0.011184 logG= -0.030586 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.279625 ETOT(band)= 0.002973 trlgG= -0.032286 logG= -0.030586 TDE= -0.271806 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019240 tlogG= -0.011673 logG= -0.030913 Density= 0.269270 ETOT(band)= -0.007536 trlgG= -0.042798 logG= -0.030913 TDE= -0.271988 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009683 tlogG= -0.005237 logG= -0.014920 Density= 0.140730 ETOT(band)= 0.002620 trlgG= -0.014624 logG= -0.014920 TDE= -0.135643 logGD-logG0= -0.019214 tlogG= -0.010608 logG= -0.029823 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.277017 ETOT(band)= 0.002347 trlgG= -0.032426 logG= -0.029823 TDE= -0.270190 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019486 tlogG= -0.011941 logG= -0.031427 Density= 0.281540 ETOT(band)= 0.003492 trlgG= -0.032584 logG= -0.031427 TDE= -0.273113 logGD-logG0= -0.019294 tlogG= -0.010099 logG= -0.029392 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.268872 ETOT(band)= -0.006592 trlgG= -0.040347 logG= -0.029392 TDE= -0.270673 logGD-logG0= -0.009815 tlogG= -0.006068 logG= -0.015883 Density= 0.144849 ETOT(band)= 0.006187 trlgG= -0.012050 logG= -0.015883 TDE= -0.136085 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009603 tlogG= -0.005144 logG= -0.014748 Density= 0.136195 ETOT(band)= -0.001752 trlgG= -0.018593 logG= -0.014748 TDE= -0.135405 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009619 tlogG= -0.005492 logG= -0.015111 Density= 0.135582 ETOT(band)= -0.002650 trlgG= -0.019825 logG= -0.015111 TDE= -0.135680 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009626 tlogG= -0.005283 logG= -0.014909 Density= 0.136926 ETOT(band)= -0.001153 trlgG= -0.018298 logG= -0.014909 TDE= -0.135654 logGD-logG0= -0.004813 tlogG= -0.002665 logG= -0.007479 Density= 0.068503 ETOT(band)= -0.000595 trlgG= -0.009184 logG= -0.007479 TDE= -0.067876 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002445 tlogG= -0.001891 logG= -0.004337 Density= 0.036987 ETOT(band)= 0.002364 trlgG= -0.002568 logG= -0.004337 TDE= -0.033959 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002393 tlogG= -0.001982 logG= -0.004375 Density= 0.035861 ETOT(band)= 0.001546 trlgG= -0.003370 logG= -0.004375 TDE= -0.033635 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002343 tlogG= -0.002350 logG= -0.004693 Density= 0.034801 ETOT(band)= 0.000579 trlgG= -0.004607 logG= -0.004693 TDE= -0.033531 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009416 tlogG= -0.007764 logG= -0.017180 Density= 0.138146 ETOT(band)= 0.001338 trlgG= -0.017733 logG= -0.017180 TDE= -0.133996 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009465 tlogG= -0.007408 logG= -0.016873 Density= 0.137041 ETOT(band)= -0.000010 trlgG= -0.018793 logG= -0.016873 TDE= -0.134296 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009734 tlogG= -0.007237 logG= -0.016972 Density= 0.145269 ETOT(band)= 0.007682 trlgG= -0.011501 logG= -0.016972 TDE= -0.134852 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009398 tlogG= -0.007996 logG= -0.017394 Density= 0.138434 ETOT(band)= 0.001738 trlgG= -0.017554 logG= -0.017394 TDE= -0.133882 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009481 tlogG= -0.007364 logG= -0.016845 Density= 0.140962 ETOT(band)= 0.004092 trlgG= -0.014980 logG= -0.016845 TDE= -0.134298 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004697 tlogG= -0.004034 logG= -0.008731 Density= 0.069800 ETOT(band)= 0.001445 trlgG= -0.008295 logG= -0.008731 TDE= -0.066987 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009430 tlogG= -0.008465 logG= -0.017895 Density= 0.140759 ETOT(band)= 0.003821 trlgG= -0.016162 logG= -0.017895 TDE= -0.134234 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009616 tlogG= -0.005339 logG= -0.014956 logGD-logG0= -0.009463 tlogG= -0.006910 logG= -0.016373 Density= 0.139044 ETOT(band)= 0.002498 trlgG= -0.016056 logG= -0.016373 TDE= -0.133994 Density= 0.134497 ETOT(band)= -0.002255 trlgG= -0.019448 logG= -0.014956 TDE= -0.134410 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019188 tlogG= -0.013321 logG= -0.032509 logGD-logG0= -0.009517 tlogG= -0.006364 logG= -0.015881 Density= 0.136954 ETOT(band)= 0.000108 trlgG= -0.017959 logG= -0.015881 TDE= -0.134370 Density= 0.285213 ETOT(band)= 0.010985 trlgG= -0.026280 logG= -0.032509 TDE= -0.269274 logGD-logG0= -0.018834 tlogG= -0.015820 logG= -0.034654 Density= 0.279971 ETOT(band)= 0.006415 trlgG= -0.032391 logG= -0.034654 TDE= -0.268176 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009363 tlogG= -0.009068 logG= -0.018431 Density= 0.139305 ETOT(band)= 0.002440 trlgG= -0.017930 logG= -0.018431 TDE= -0.134062 logGD-logG0= -0.004786 tlogG= -0.002838 logG= -0.007623 Density= 0.068564 ETOT(band)= 0.000397 trlgG= -0.008429 logG= -0.007623 TDE= -0.067036 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009682 tlogG= -0.004969 logG= -0.014651 Density= 0.132013 ETOT(band)= -0.004565 trlgG= -0.021599 logG= -0.014651 TDE= -0.134467 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009824 tlogG= -0.006818 logG= -0.016641 Density= 0.146122 ETOT(band)= 0.008135 trlgG= -0.010896 logG= -0.016641 TDE= -0.135402 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009531 tlogG= -0.007573 logG= -0.017104 Density= 0.142634 ETOT(band)= 0.005576 trlgG= -0.013741 logG= -0.017104 TDE= -0.134416 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009696 tlogG= -0.005739 logG= -0.015435 Density= 0.142273 ETOT(band)= 0.005099 trlgG= -0.012890 logG= -0.015435 TDE= -0.134884 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018942 tlogG= -0.014012 logG= -0.032954 Density= 0.276812 ETOT(band)= 0.003265 trlgG= -0.033967 logG= -0.032954 TDE= -0.268401 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009499 tlogG= -0.006704 logG= -0.016203 Density= 0.140758 ETOT(band)= 0.004137 trlgG= -0.014404 logG= -0.016203 TDE= -0.134167 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019096 tlogG= -0.011742 logG= -0.030838 Density= 0.276796 ETOT(band)= 0.003528 trlgG= -0.032147 logG= -0.030838 TDE= -0.268682 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003140 tlogG= 0.070315 logG= 0.067175 logGD-logG0= -0.003122 tlogG= 0.069917 logG= 0.066796 Density= 0.046056 ETOT(band)= 0.000429 trlgG= 0.066620 logG= 0.066796 TDE= -0.044664 Density= 0.046135 ETOT(band)= 0.000537 trlgG= 0.067112 logG= 0.067175 TDE= -0.044627 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002336 tlogG= 0.052246 logG= 0.049911 Density= 0.034326 ETOT(band)= 0.000115 trlgG= 0.049556 logG= 0.049911 TDE= -0.033513 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009414 tlogG= 0.210821 logG= 0.201408 Density= 0.139079 ETOT(band)= 0.002249 trlgG= 0.201747 logG= 0.201408 TDE= -0.134005 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004672 tlogG= 0.104703 logG= 0.100030 Density= 0.068913 ETOT(band)= 0.000480 trlgG= 0.099585 logG= 0.100030 TDE= -0.067012 logGD-logG0= -0.009359 tlogG= 0.209765 logG= 0.200406 Density= 0.138151 ETOT(band)= 0.001332 trlgG= 0.199840 logG= 0.200406 TDE= -0.134014 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009393 tlogG= 0.210464 logG= 0.201071 Density= 0.138701 ETOT(band)= 0.001904 trlgG= 0.201092 logG= 0.201071 TDE= -0.133958 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003114 tlogG= 0.069637 logG= 0.066523 Density= 0.045678 ETOT(band)= 0.000081 trlgG= 0.065965 logG= 0.066523 TDE= -0.044680 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.82820146104685 eV TrLogG= -11.6623489026598 eV Ratio to renormalize= 0.999999999737 rho-rho_expected= 0.000000004202 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 74) Finished k-point number 75 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 88) Finished k-point number 89 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 57) Finished k-point number 58 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933111115280391 0.929852683850269 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 27) Finished k-point number 28 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 25) Finished k-point number 26 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 22) Finished k-point number 23 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 33) Finished k-point number 34 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 83) Finished k-point number 84 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 61) Finished k-point number 62 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1425013496067 Density= 15.9955588744431 16.0000000000000 EF 13.4146151817203 Density= 16.5057119778539 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98595612 0.96595612 0.505712 -0.444113E-02 1 0.97595612 0.96595614 0.259668 -0.444113E-02 2 0.97095613 0.96595589 0.130677 -0.444113E-02 3 0.96845601 0.96595601 0.639958E-01 -0.444113E-02 4 0.96720601 0.96595595 0.300142E-01 -0.444113E-02 5 0.96658098 0.96595574 0.128463E-01 -0.444112E-02 6 0.96626836 0.96595585 0.421325E-02 -0.444112E-02 7 0.96611612 0.96626836 -0.233796E-05 0.421325E-02 8 0.96611621 0.96611612 0.209745E-08 -0.233796E-05 9 0.96611621 0.96611621 -0.674083E-09 0.209745E-08 10 0.96611621 0.96611621 0.209745E-08 -0.674083E-09 11 0.96611621 0.96611621 0.209745E-08 -0.674083E-09 Absolute convergence of the X interval. Difference in EF= 0.0021781207 EF set to : 13.1446794703 new EF (no-mixing): 13.1446794703 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001217 tlogG= -0.001258 logG= -0.002475 Density= 0.018875 ETOT(band)= 0.001000 trlgG= -0.001769 logG= -0.002475 TDE= -0.017529 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002427 tlogG= -0.002421 logG= -0.004848 Density= 0.037698 ETOT(band)= 0.002093 trlgG= -0.003349 logG= -0.004848 TDE= -0.034922 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009712 tlogG= -0.009600 logG= -0.019312 Density= 0.150895 ETOT(band)= 0.008252 trlgG= -0.013422 logG= -0.019312 TDE= -0.139892 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004852 tlogG= -0.004655 logG= -0.009507 Density= 0.075423 ETOT(band)= 0.004208 trlgG= -0.006483 logG= -0.009507 TDE= -0.069843 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002431 tlogG= -0.002100 logG= -0.004531 Density= 0.037244 ETOT(band)= 0.002124 trlgG= -0.003057 logG= -0.004531 TDE= -0.034508 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009735 tlogG= -0.008141 logG= -0.017876 Density= 0.149783 ETOT(band)= 0.008660 trlgG= -0.011725 logG= -0.017876 TDE= -0.138558 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009740 tlogG= -0.008745 logG= -0.018485 Density= 0.149936 ETOT(band)= 0.008690 trlgG= -0.012311 logG= -0.018485 TDE= -0.138682 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009737 tlogG= -0.006773 logG= -0.016510 Density= 0.145234 ETOT(band)= 0.005292 trlgG= -0.013691 logG= -0.016510 TDE= -0.137494 logGD-logG0= -0.004871 tlogG= -0.004233 logG= -0.009104 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.075065 ETOT(band)= 0.004225 trlgG= -0.006134 logG= -0.009104 TDE= -0.069552 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001584 tlogG= -0.001314 logG= -0.002898 Density= 0.022674 ETOT(band)= -0.000448 trlgG= -0.003690 logG= -0.002898 TDE= -0.022697 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009748 tlogG= -0.008877 logG= -0.018625 Density= 0.150398 ETOT(band)= 0.008694 trlgG= -0.012396 logG= -0.018625 TDE= -0.139073 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009709 tlogG= -0.007884 logG= -0.017593 Density= 0.149268 ETOT(band)= 0.009196 trlgG= -0.010897 logG= -0.017593 TDE= -0.137514 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019468 tlogG= -0.016061 logG= -0.035529 Density= 0.299706 ETOT(band)= 0.017231 trlgG= -0.023320 logG= -0.035529 TDE= -0.277341 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019435 tlogG= -0.014946 logG= -0.034381 Density= 0.298272 ETOT(band)= 0.017878 trlgG= -0.021403 logG= -0.034381 TDE= -0.275188 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009737 tlogG= -0.006728 logG= -0.016465 Density= 0.147380 ETOT(band)= 0.007511 trlgG= -0.011447 logG= -0.016465 TDE= -0.137368 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003118 tlogG= -0.002605 logG= -0.005722 logGD-logG0= -0.003163 tlogG= -0.002524 logG= -0.005688 Density= 0.045163 ETOT(band)= -0.000904 trlgG= -0.007323 logG= -0.005688 TDE= -0.045268 Density= 0.045704 ETOT(band)= 0.000045 trlgG= -0.006259 logG= -0.005722 TDE= -0.044692 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009497 tlogG= -0.007448 logG= -0.016945 Density= 0.136165 ETOT(band)= -0.002326 trlgG= -0.021475 logG= -0.016945 TDE= -0.136082 logGD-logG0= -0.003145 tlogG= -0.002551 logG= -0.005697 Density= 0.045411 ETOT(band)= -0.000482 trlgG= -0.006837 logG= -0.005697 TDE= -0.045014 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009490 tlogG= -0.007365 logG= -0.016855 Density= 0.136025 ETOT(band)= -0.002280 trlgG= -0.021358 logG= -0.016855 TDE= -0.135920 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009476 tlogG= -0.007293 logG= -0.016768 Density= 0.136074 ETOT(band)= -0.001887 trlgG= -0.020851 logG= -0.016768 TDE= -0.135546 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009798 tlogG= -0.007231 logG= -0.017029 Density= 0.147526 ETOT(band)= 0.008013 trlgG= -0.011526 logG= -0.017029 TDE= -0.137024 logGD-logG0= -0.009419 tlogG= -0.007364 logG= -0.016784 Density= 0.136784 ETOT(band)= -0.000548 trlgG= -0.019288 logG= -0.016784 TDE= -0.134654 logGD-logG0= -0.009504 tlogG= -0.006666 logG= -0.016170 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137491 ETOT(band)= -0.000738 trlgG= -0.019197 logG= -0.016170 TDE= -0.135859 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009743 tlogG= -0.007646 logG= -0.017389 Density= 0.148570 ETOT(band)= 0.009321 trlgG= -0.010574 logG= -0.017389 TDE= -0.136721 logGD-logG0= -0.009800 tlogG= -0.006537 logG= -0.016337 Density= 0.143392 ETOT(band)= 0.004122 trlgG= -0.014553 logG= -0.016337 TDE= -0.136750 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009560 tlogG= -0.005952 logG= -0.015513 Density= 0.137918 ETOT(band)= -0.000204 trlgG= -0.017990 logG= -0.015513 TDE= -0.135722 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009455 tlogG= -0.007325 logG= -0.016780 Density= 0.136313 ETOT(band)= -0.001473 trlgG= -0.020367 logG= -0.016780 TDE= -0.135281 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004802 tlogG= -0.003092 logG= -0.007895 Density= 0.067308 ETOT(band)= -0.002040 trlgG= -0.011022 logG= -0.007895 TDE= -0.068155 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004805 tlogG= -0.002574 logG= -0.007379 Density= 0.065597 ETOT(band)= -0.002979 trlgG= -0.011371 logG= -0.007379 TDE= -0.067367 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009441 tlogG= -0.006838 logG= -0.016279 Density= 0.138705 ETOT(band)= 0.001558 trlgG= -0.016916 logG= -0.016279 TDE= -0.134642 logGD-logG0= -0.009496 tlogG= -0.006861 logG= -0.016357 logGD-logG0= -0.009538 tlogG= -0.005631 logG= -0.015169 Density= 0.137040 ETOT(band)= -0.001254 trlgG= -0.019921 logG= -0.016357 TDE= -0.135960 Density= 0.136798 ETOT(band)= -0.000779 trlgG= -0.018252 logG= -0.015169 TDE= -0.135245 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009687 tlogG= -0.006622 logG= -0.016310 Density= 0.143950 ETOT(band)= 0.006149 trlgG= -0.012445 logG= -0.016310 TDE= -0.135207 logGD-logG0= -0.009607 tlogG= -0.006015 logG= -0.015622 Density= 0.135480 ETOT(band)= -0.002891 trlgG= -0.020687 logG= -0.015622 TDE= -0.135954 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009588 tlogG= -0.005618 logG= -0.015207 Density= 0.133426 ETOT(band)= -0.004467 trlgG= -0.021747 logG= -0.015207 TDE= -0.135445 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009600 tlogG= -0.006386 logG= -0.015985 Density= 0.140394 ETOT(band)= 0.002400 trlgG= -0.015894 logG= -0.015985 TDE= -0.135545 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009812 tlogG= -0.006598 logG= -0.016410 Density= 0.144563 ETOT(band)= 0.004760 trlgG= -0.014101 logG= -0.016410 TDE= -0.137356 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009573 tlogG= -0.006155 logG= -0.015728 Density= 0.138524 ETOT(band)= 0.000365 trlgG= -0.017567 logG= -0.015728 TDE= -0.135670 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019113 tlogG= -0.012153 logG= -0.031267 logGD-logG0= -0.019096 tlogG= -0.012006 logG= -0.031102 Density= 0.278039 ETOT(band)= 0.001720 trlgG= -0.034210 logG= -0.031267 TDE= -0.271562 Density= 0.277682 ETOT(band)= 0.001665 trlgG= -0.034073 logG= -0.031102 TDE= -0.271244 logGD-logG0= -0.019642 tlogG= -0.012848 logG= -0.032490 Density= 0.287572 ETOT(band)= 0.008521 trlgG= -0.028765 logG= -0.032490 TDE= -0.274103 logGD-logG0= -0.018982 tlogG= -0.013722 logG= -0.032703 Density= 0.274234 ETOT(band)= -0.001899 trlgG= -0.039097 logG= -0.032703 TDE= -0.271335 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019301 tlogG= -0.010528 logG= -0.029829 Density= 0.279852 ETOT(band)= 0.004247 trlgG= -0.030142 logG= -0.029829 TDE= -0.270683 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019216 tlogG= -0.011485 logG= -0.030702 Density= 0.275518 ETOT(band)= -0.000806 trlgG= -0.035961 logG= -0.030702 TDE= -0.271441 logGD-logG0= -0.019191 tlogG= -0.010863 logG= -0.030055 Density= 0.271766 ETOT(band)= -0.003855 trlgG= -0.038465 logG= -0.030055 TDE= -0.270967 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019008 tlogG= -0.012409 logG= -0.031417 Density= 0.278646 ETOT(band)= 0.004047 trlgG= -0.032104 logG= -0.031417 TDE= -0.269891 logGD-logG0= -0.004893 tlogG= -0.003617 logG= -0.008510 Density= 0.074600 ETOT(band)= 0.004329 trlgG= -0.005414 logG= -0.008510 TDE= -0.068976 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019368 tlogG= -0.012122 logG= -0.031490 logGD-logG0= -0.018910 tlogG= -0.013771 logG= -0.032681 Density= 0.282376 ETOT(band)= 0.005644 trlgG= -0.030517 logG= -0.031490 TDE= -0.271835 Density= 0.274872 ETOT(band)= -0.000109 trlgG= -0.036912 logG= -0.032681 TDE= -0.269790 logGD-logG0= -0.019084 tlogG= -0.012304 logG= -0.031388 Density= 0.277714 ETOT(band)= 0.001977 trlgG= -0.033892 logG= -0.031388 TDE= -0.270807 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019246 tlogG= -0.010194 logG= -0.029440 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.266122 ETOT(band)= -0.008402 trlgG= -0.042222 logG= -0.029440 TDE= -0.269887 logGD-logG0= -0.000389 tlogG= 0.008690 logG= 0.008302 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.005693 ETOT(band)= -0.000006 trlgG= 0.008216 logG= 0.008302 TDE= -0.005586 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009701 tlogG= -0.004833 logG= -0.014535 Density= 0.132378 ETOT(band)= -0.004898 trlgG= -0.021802 logG= -0.014535 TDE= -0.135160 logGD-logG0= -0.019241 tlogG= -0.011670 logG= -0.030910 Density= 0.269254 ETOT(band)= -0.007509 trlgG= -0.042773 logG= -0.030910 TDE= -0.271994 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009610 tlogG= -0.005445 logG= -0.015055 Density= 0.132927 ETOT(band)= -0.004918 trlgG= -0.021997 logG= -0.015055 TDE= -0.135365 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019616 tlogG= -0.012936 logG= -0.032552 Density= 0.290681 ETOT(band)= 0.013843 trlgG= -0.023394 logG= -0.032552 TDE= -0.271673 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019009 tlogG= -0.011689 logG= -0.030698 Density= 0.276181 ETOT(band)= 0.001487 trlgG= -0.033701 logG= -0.030698 TDE= -0.269826 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009511 tlogG= -0.006637 logG= -0.016148 Density= 0.137440 ETOT(band)= -0.000709 trlgG= -0.019178 logG= -0.016148 TDE= -0.135813 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019213 tlogG= -0.010608 logG= -0.029822 Density= 0.277046 ETOT(band)= 0.002415 trlgG= -0.032361 logG= -0.029822 TDE= -0.270198 logGD-logG0= -0.009684 tlogG= -0.005237 logG= -0.014920 Density= 0.140738 ETOT(band)= 0.002649 trlgG= -0.014598 logG= -0.014920 TDE= -0.135647 logGD-logG0= -0.019406 tlogG= -0.011188 logG= -0.030594 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019273 tlogG= -0.010621 logG= -0.029894 Density= 0.272917 ETOT(band)= -0.003326 trlgG= -0.037612 logG= -0.029894 TDE= -0.271387 Density= 0.279711 ETOT(band)= 0.003096 trlgG= -0.032175 logG= -0.030594 TDE= -0.271815 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019293 tlogG= -0.010094 logG= -0.029387 Density= 0.268891 ETOT(band)= -0.006532 trlgG= -0.040288 logG= -0.029387 TDE= -0.270680 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019488 tlogG= -0.011940 logG= -0.031428 Density= 0.281568 ETOT(band)= 0.003559 trlgG= -0.032524 logG= -0.031428 TDE= -0.273123 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009815 tlogG= -0.006069 logG= -0.015884 Density= 0.144851 ETOT(band)= 0.006209 trlgG= -0.012031 logG= -0.015884 TDE= -0.136090 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009626 tlogG= -0.005282 logG= -0.014908 Density= 0.136929 ETOT(band)= -0.001129 trlgG= -0.018276 logG= -0.014908 TDE= -0.135658 logGD-logG0= -0.004813 tlogG= -0.002665 logG= -0.007478 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.068502 ETOT(band)= -0.000585 trlgG= -0.009175 logG= -0.007478 TDE= -0.067878 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009619 tlogG= -0.005492 logG= -0.015111 Density= 0.135578 ETOT(band)= -0.002633 trlgG= -0.019810 logG= -0.015111 TDE= -0.135683 logGD-logG0= -0.009494 tlogG= -0.006850 logG= -0.016344 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138074 ETOT(band)= 0.000211 trlgG= -0.018206 logG= -0.016344 TDE= -0.135258 logGD-logG0= -0.009603 tlogG= -0.005142 logG= -0.014745 Density= 0.136195 ETOT(band)= -0.001731 trlgG= -0.018572 logG= -0.014745 TDE= -0.135408 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009476 tlogG= -0.006535 logG= -0.016011 Density= 0.137210 ETOT(band)= -0.000523 trlgG= -0.018779 logG= -0.016011 TDE= -0.135329 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002446 tlogG= -0.001892 logG= -0.004337 Density= 0.036984 ETOT(band)= 0.002367 trlgG= -0.002566 logG= -0.004337 TDE= -0.033960 logGD-logG0= -0.002393 tlogG= -0.001982 logG= -0.004375 Density= 0.035862 ETOT(band)= 0.001552 trlgG= -0.003365 logG= -0.004375 TDE= -0.033636 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009417 tlogG= -0.007763 logG= -0.017179 Density= 0.138141 ETOT(band)= 0.001356 trlgG= -0.017718 logG= -0.017179 TDE= -0.133998 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009481 tlogG= -0.007363 logG= -0.016844 Density= 0.140962 ETOT(band)= 0.004114 trlgG= -0.014960 logG= -0.016844 TDE= -0.134301 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009398 tlogG= -0.007994 logG= -0.017393 Density= 0.138430 ETOT(band)= 0.001756 trlgG= -0.017537 logG= -0.017393 TDE= -0.133884 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009430 tlogG= -0.008465 logG= -0.017895 Density= 0.140759 ETOT(band)= 0.003843 trlgG= -0.016142 logG= -0.017895 TDE= -0.134237 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002343 tlogG= -0.002350 logG= -0.004692 Density= 0.034800 ETOT(band)= 0.000584 trlgG= -0.004603 logG= -0.004692 TDE= -0.033531 logGD-logG0= -0.009464 tlogG= -0.007407 logG= -0.016872 Density= 0.137033 ETOT(band)= 0.000005 trlgG= -0.018780 logG= -0.016872 TDE= -0.134298 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009735 tlogG= -0.007238 logG= -0.016972 Density= 0.145270 ETOT(band)= 0.007705 trlgG= -0.011481 logG= -0.016972 TDE= -0.134857 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009616 tlogG= -0.005338 logG= -0.014954 Density= 0.134504 ETOT(band)= -0.002228 trlgG= -0.019421 logG= -0.014954 TDE= -0.134413 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019189 tlogG= -0.013321 logG= -0.032510 Density= 0.285226 ETOT(band)= 0.011040 trlgG= -0.026231 logG= -0.032510 TDE= -0.269282 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018834 tlogG= -0.015818 logG= -0.034652 Density= 0.279969 ETOT(band)= 0.006457 trlgG= -0.032351 logG= -0.034652 TDE= -0.268182 logGD-logG0= -0.009363 tlogG= -0.009067 logG= -0.018430 Density= 0.139302 ETOT(band)= 0.002459 trlgG= -0.017912 logG= -0.018430 TDE= -0.134064 logGD-logG0= -0.004786 tlogG= -0.002838 logG= -0.007624 Density= 0.068563 ETOT(band)= 0.000406 trlgG= -0.008422 logG= -0.007624 TDE= -0.067037 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018942 tlogG= -0.014009 logG= -0.032951 Density= 0.276805 ETOT(band)= 0.003303 trlgG= -0.033931 logG= -0.032951 TDE= -0.268407 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009684 tlogG= -0.004968 logG= -0.014652 Density= 0.132043 ETOT(band)= -0.004514 trlgG= -0.021553 logG= -0.014652 TDE= -0.134470 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009824 tlogG= -0.006819 logG= -0.016642 Density= 0.146116 ETOT(band)= 0.008150 trlgG= -0.010884 logG= -0.016642 TDE= -0.135407 logGD-logG0= -0.009697 tlogG= -0.005739 logG= -0.015436 Density= 0.142284 ETOT(band)= 0.005130 trlgG= -0.012861 logG= -0.015436 TDE= -0.134889 logGD-logG0= -0.009531 tlogG= -0.007573 logG= -0.017104 Density= 0.142638 ETOT(band)= 0.005601 trlgG= -0.013719 logG= -0.017104 TDE= -0.134420 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019096 tlogG= -0.011747 logG= -0.030844 Density= 0.276815 ETOT(band)= 0.003588 trlgG= -0.032097 logG= -0.030844 TDE= -0.268689 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004698 tlogG= -0.004033 logG= -0.008731 Density= 0.069800 ETOT(band)= 0.001456 trlgG= -0.008285 logG= -0.008731 TDE= -0.066988 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009501 tlogG= -0.006704 logG= -0.016205 Density= 0.140758 ETOT(band)= 0.004159 trlgG= -0.014386 logG= -0.016205 TDE= -0.134170 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009463 tlogG= -0.006909 logG= -0.016373 Density= 0.139042 ETOT(band)= 0.002517 trlgG= -0.016039 logG= -0.016373 TDE= -0.133996 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003140 tlogG= 0.070327 logG= 0.067187 Density= 0.046133 ETOT(band)= 0.000542 trlgG= 0.067130 logG= 0.067187 TDE= -0.044627 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003114 tlogG= 0.069649 logG= 0.066535 Density= 0.045675 ETOT(band)= 0.000085 trlgG= 0.065982 logG= 0.066535 TDE= -0.044681 logGD-logG0= -0.002336 tlogG= 0.052256 logG= 0.049920 Density= 0.034324 ETOT(band)= 0.000119 trlgG= 0.049568 logG= 0.049920 TDE= -0.033513 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009517 tlogG= -0.006364 logG= -0.015881 Density= 0.136947 ETOT(band)= 0.000121 trlgG= -0.017947 logG= -0.015881 TDE= -0.134373 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009413 tlogG= 0.210859 logG= 0.201446 Density= 0.139076 ETOT(band)= 0.002267 trlgG= 0.201802 logG= 0.201446 TDE= -0.134007 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003121 tlogG= 0.069930 logG= 0.066809 Density= 0.046054 ETOT(band)= 0.000434 trlgG= 0.066637 logG= 0.066809 TDE= -0.044665 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009359 tlogG= 0.209802 logG= 0.200443 logGD-logG0= -0.004672 tlogG= 0.104721 logG= 0.100049 Density= 0.068909 ETOT(band)= 0.000488 trlgG= 0.099611 logG= 0.100049 TDE= -0.067013 Density= 0.138146 ETOT(band)= 0.001349 trlgG= 0.199891 logG= 0.200443 TDE= -0.134017 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009394 tlogG= 0.210500 logG= 0.201107 Density= 0.138696 ETOT(band)= 0.001922 trlgG= 0.201143 logG= 0.201107 TDE= -0.133960 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.86091631924046 eV TrLogG= -11.6308347454703 eV Ratio to renormalize= 0.999999999606 rho-rho_expected= 0.000000006301 nargs= 1 argi=dmft2.def 11) Finished k-point number 12 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 77) Finished k-point number 78 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 44) Finished k-point number 45 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 56) Finished k-point number 57 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.932983302442778 0.929785030255564 27) Finished k-point number 28 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 73) Finished k-point number 74 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 67) Finished k-point number 68 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 42) Finished k-point number 43 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 32) Finished k-point number 33 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 10) Finished k-point number 11 1 with #bands= 26 87) Finished k-point number 88 1 with #bands= 18 85) Finished k-point number 86 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1446794702593 Density= 15.9868800167839 16.0000000000000 EF 13.4167933023729 Density= 16.4988907737716 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98611621 0.96611621 0.498891 -0.131200E-01 1 0.97611621 0.96611623 0.252225 -0.131200E-01 2 0.97111622 0.96611598 0.122713 -0.131200E-01 3 0.96861610 0.96611610 0.557033E-01 -0.131200E-01 4 0.96736610 0.96611604 0.215362E-01 -0.131200E-01 5 0.96674107 0.96611631 0.426982E-02 -0.131200E-01 6 0.96658725 0.96611631 0.122195E-05 -0.131200E-01 7 0.96658721 0.96611631 0.698783E-10 -0.131200E-01 Absolute convergence of |F(X)|. Difference in EF= 0.0064083142 EF set to : 13.1510877844 new EF (no-mixing): 13.1510877844 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001217 tlogG= -0.001258 logG= -0.002475 Density= 0.018869 ETOT(band)= 0.001002 trlgG= -0.001769 logG= -0.002475 TDE= -0.017532 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009714 tlogG= -0.009604 logG= -0.019319 Density= 0.150850 ETOT(band)= 0.008270 trlgG= -0.013421 logG= -0.019319 TDE= -0.139912 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002427 tlogG= -0.002422 logG= -0.004849 Density= 0.037686 ETOT(band)= 0.002097 trlgG= -0.003349 logG= -0.004849 TDE= -0.034927 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004853 tlogG= -0.004656 logG= -0.009510 Density= 0.075400 ETOT(band)= 0.004216 trlgG= -0.006482 logG= -0.009510 TDE= -0.069853 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002432 tlogG= -0.002101 logG= -0.004532 Density= 0.037229 ETOT(band)= 0.002124 trlgG= -0.003060 logG= -0.004532 TDE= -0.034512 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009738 tlogG= -0.006776 logG= -0.016514 Density= 0.145262 ETOT(band)= 0.005379 trlgG= -0.013615 logG= -0.016514 TDE= -0.137510 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009742 tlogG= -0.008748 logG= -0.018490 Density= 0.149882 ETOT(band)= 0.008699 trlgG= -0.012317 logG= -0.018490 TDE= -0.138701 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009737 tlogG= -0.008144 logG= -0.017881 Density= 0.149731 ETOT(band)= 0.008670 trlgG= -0.011728 logG= -0.017881 TDE= -0.138576 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004872 tlogG= -0.004234 logG= -0.009106 Density= 0.075039 ETOT(band)= 0.004230 trlgG= -0.006136 logG= -0.009106 TDE= -0.069562 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001584 tlogG= -0.001313 logG= -0.002898 Density= 0.022669 ETOT(band)= -0.000442 trlgG= -0.003685 logG= -0.002898 TDE= -0.022699 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009711 tlogG= -0.007887 logG= -0.017598 Density= 0.149217 ETOT(band)= 0.009206 trlgG= -0.010899 logG= -0.017598 TDE= -0.137532 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009750 tlogG= -0.008880 logG= -0.018630 Density= 0.150348 ETOT(band)= 0.008707 trlgG= -0.012397 logG= -0.018630 TDE= -0.139092 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019438 tlogG= -0.014953 logG= -0.034391 Density= 0.298183 ETOT(band)= 0.017913 trlgG= -0.021393 logG= -0.034391 TDE= -0.275222 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019472 tlogG= -0.016067 logG= -0.035540 Density= 0.299603 ETOT(band)= 0.017251 trlgG= -0.023326 logG= -0.035540 TDE= -0.277378 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009738 tlogG= -0.006731 logG= -0.016470 Density= 0.147345 ETOT(band)= 0.007537 trlgG= -0.011433 logG= -0.016470 TDE= -0.137385 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003163 tlogG= -0.002523 logG= -0.005686 Density= 0.045153 ETOT(band)= -0.000893 trlgG= -0.007313 logG= -0.005686 TDE= -0.045271 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009498 tlogG= -0.007445 logG= -0.016944 Density= 0.136140 ETOT(band)= -0.002288 trlgG= -0.021444 logG= -0.016944 TDE= -0.136092 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003117 tlogG= -0.002604 logG= -0.005722 Density= 0.045698 ETOT(band)= 0.000059 trlgG= -0.006245 logG= -0.005722 TDE= -0.044694 logGD-logG0= -0.003146 tlogG= -0.002550 logG= -0.005696 Density= 0.045403 ETOT(band)= -0.000469 trlgG= -0.006826 logG= -0.005696 TDE= -0.045016 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009490 tlogG= -0.007361 logG= -0.016852 Density= 0.135999 ETOT(band)= -0.002243 trlgG= -0.021326 logG= -0.016852 TDE= -0.135929 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009477 tlogG= -0.007289 logG= -0.016765 logGD-logG0= -0.009505 tlogG= -0.006665 logG= -0.016170 Density= 0.136049 ETOT(band)= -0.001848 trlgG= -0.020818 logG= -0.016765 TDE= -0.135556 Density= 0.137479 ETOT(band)= -0.000688 trlgG= -0.019155 logG= -0.016170 TDE= -0.135870 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009799 tlogG= -0.007234 logG= -0.017034 Density= 0.147486 ETOT(band)= 0.008034 trlgG= -0.011516 logG= -0.017034 TDE= -0.137041 logGD-logG0= -0.004803 tlogG= -0.003090 logG= -0.007893 Density= 0.067295 ETOT(band)= -0.002023 trlgG= -0.011007 logG= -0.007893 TDE= -0.068160 logGD-logG0= -0.009477 tlogG= -0.006533 logG= -0.016010 Density= 0.137195 ETOT(band)= -0.000476 trlgG= -0.018739 logG= -0.016010 TDE= -0.135340 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009803 tlogG= -0.006537 logG= -0.016340 Density= 0.143432 ETOT(band)= 0.004219 trlgG= -0.014466 logG= -0.016340 TDE= -0.136765 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009561 tlogG= -0.005950 logG= -0.015511 Density= 0.137922 ETOT(band)= -0.000139 trlgG= -0.017931 logG= -0.015511 TDE= -0.135733 logGD-logG0= -0.009600 tlogG= -0.006384 logG= -0.015984 Density= 0.140412 ETOT(band)= 0.002477 trlgG= -0.015822 logG= -0.015984 TDE= -0.135559 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009455 tlogG= -0.007322 logG= -0.016778 Density= 0.136289 ETOT(band)= -0.001434 trlgG= -0.020332 logG= -0.016778 TDE= -0.135290 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009495 tlogG= -0.006849 logG= -0.016343 Density= 0.138066 ETOT(band)= 0.000265 trlgG= -0.018159 logG= -0.016343 TDE= -0.135269 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009744 tlogG= -0.007650 logG= -0.017394 Density= 0.148524 ETOT(band)= 0.009337 trlgG= -0.010570 logG= -0.017394 TDE= -0.136738 logGD-logG0= -0.009608 tlogG= -0.006013 logG= -0.015621 logGD-logG0= -0.009512 tlogG= -0.006633 logG= -0.016145 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137429 ETOT(band)= -0.000658 trlgG= -0.019133 logG= -0.016145 TDE= -0.135825 Density= 0.135471 ETOT(band)= -0.002840 trlgG= -0.020641 logG= -0.015621 TDE= -0.135964 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009420 tlogG= -0.007362 logG= -0.016782 Density= 0.136764 ETOT(band)= -0.000505 trlgG= -0.019251 logG= -0.016782 TDE= -0.134663 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009689 tlogG= -0.006624 logG= -0.016313 Density= 0.143964 ETOT(band)= 0.006222 trlgG= -0.012380 logG= -0.016313 TDE= -0.135221 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009497 tlogG= -0.006859 logG= -0.016356 Density= 0.137024 ETOT(band)= -0.001208 trlgG= -0.019882 logG= -0.016356 TDE= -0.135971 logGD-logG0= -0.009539 tlogG= -0.005630 logG= -0.015169 Density= 0.136796 ETOT(band)= -0.000721 trlgG= -0.018200 logG= -0.015169 TDE= -0.135256 logGD-logG0= -0.004804 tlogG= -0.002571 logG= -0.007375 logGD-logG0= -0.009590 tlogG= -0.005617 logG= -0.015207 Density= 0.133401 ETOT(band)= -0.004430 trlgG= -0.021716 logG= -0.015207 TDE= -0.135453 Density= 0.065602 ETOT(band)= -0.002945 trlgG= -0.011336 logG= -0.007375 TDE= -0.067371 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009442 tlogG= -0.006837 logG= -0.016278 Density= 0.138701 ETOT(band)= 0.001616 trlgG= -0.016865 logG= -0.016278 TDE= -0.134653 logGD-logG0= -0.019646 tlogG= -0.012850 logG= -0.032496 Density= 0.287659 ETOT(band)= 0.008724 trlgG= -0.028582 logG= -0.032496 TDE= -0.274134 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009575 tlogG= -0.006154 logG= -0.015729 Density= 0.138533 ETOT(band)= 0.000435 trlgG= -0.017506 logG= -0.015729 TDE= -0.135682 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019097 tlogG= -0.012002 logG= -0.031099 Density= 0.277687 ETOT(band)= 0.001788 trlgG= -0.033959 logG= -0.031099 TDE= -0.271268 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009813 tlogG= -0.006601 logG= -0.016414 Density= 0.144602 ETOT(band)= 0.004857 trlgG= -0.014015 logG= -0.016414 TDE= -0.137372 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019193 tlogG= -0.010857 logG= -0.030050 Density= 0.271794 ETOT(band)= -0.003708 trlgG= -0.038327 logG= -0.030050 TDE= -0.270990 logGD-logG0= -0.019115 tlogG= -0.012152 logG= -0.031267 Density= 0.278049 ETOT(band)= 0.001849 trlgG= -0.034095 logG= -0.031267 TDE= -0.271587 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019084 tlogG= -0.012303 logG= -0.031388 Density= 0.277721 ETOT(band)= 0.002104 trlgG= -0.033777 logG= -0.031388 TDE= -0.270831 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018984 tlogG= -0.013720 logG= -0.032704 Density= 0.274200 ETOT(band)= -0.001809 trlgG= -0.039023 logG= -0.032704 TDE= -0.271357 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019218 tlogG= -0.011480 logG= -0.030697 Density= 0.275559 ETOT(band)= -0.000647 trlgG= -0.035811 logG= -0.030697 TDE= -0.271465 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004894 tlogG= -0.003619 logG= -0.008512 Density= 0.074580 ETOT(band)= 0.004340 trlgG= -0.005410 logG= -0.008512 TDE= -0.068985 logGD-logG0= -0.019006 tlogG= -0.011678 logG= -0.030685 Density= 0.276168 ETOT(band)= 0.001593 trlgG= -0.033593 logG= -0.030685 TDE= -0.269848 logGD-logG0= -0.019010 tlogG= -0.012408 logG= -0.031418 Density= 0.278664 ETOT(band)= 0.004186 trlgG= -0.031981 logG= -0.031418 TDE= -0.269916 logGD-logG0= -0.019246 tlogG= -0.010190 logG= -0.029436 Density= 0.266197 ETOT(band)= -0.008212 trlgG= -0.042041 logG= -0.029436 TDE= -0.269907 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019301 tlogG= -0.010532 logG= -0.029833 Density= 0.279933 ETOT(band)= 0.004443 trlgG= -0.029961 logG= -0.029833 TDE= -0.270708 logGD-logG0= -0.000389 tlogG= 0.008695 logG= 0.008306 Density= 0.005692 ETOT(band)= -0.000004 trlgG= 0.008222 logG= 0.008306 TDE= -0.005586 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019371 tlogG= -0.012120 logG= -0.031491 logGD-logG0= -0.009703 tlogG= -0.004831 logG= -0.014533 Density= 0.282435 ETOT(band)= 0.005817 trlgG= -0.030357 logG= -0.031491 TDE= -0.271863 Density= 0.132468 ETOT(band)= -0.004754 trlgG= -0.021664 logG= -0.014533 TDE= -0.135172 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009610 tlogG= -0.005445 logG= -0.015055 logGD-logG0= -0.019243 tlogG= -0.011664 logG= -0.030907 Density= 0.269217 ETOT(band)= -0.007424 trlgG= -0.042698 logG= -0.030907 TDE= -0.272013 logGD-logG0= -0.019617 tlogG= -0.012941 logG= -0.032558 Density= 0.132914 ETOT(band)= -0.004871 trlgG= -0.021954 logG= -0.015055 TDE= -0.135372 Density= 0.290672 ETOT(band)= 0.013954 trlgG= -0.023301 logG= -0.032558 TDE= -0.271703 logGD-logG0= -0.018910 tlogG= -0.013763 logG= -0.032673 logGD-logG0= -0.019214 tlogG= -0.010606 logG= -0.029820 Density= 0.274842 ETOT(band)= -0.000014 trlgG= -0.036824 logG= -0.032673 TDE= -0.269809 Density= 0.277154 ETOT(band)= 0.002635 trlgG= -0.032151 logG= -0.029820 TDE= -0.270224 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009816 tlogG= -0.006072 logG= -0.015888 logGD-logG0= -0.019407 tlogG= -0.011180 logG= -0.030587 Density= 0.279750 ETOT(band)= 0.003252 trlgG= -0.032027 logG= -0.030587 TDE= -0.271843 Density= 0.144860 ETOT(band)= 0.006277 trlgG= -0.011973 logG= -0.015888 TDE= -0.136105 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019493 tlogG= -0.011937 logG= -0.031430 logGD-logG0= -0.019274 tlogG= -0.010620 logG= -0.029894 Density= 0.281646 ETOT(band)= 0.003753 trlgG= -0.032346 logG= -0.031430 TDE= -0.273152 Density= 0.272976 ETOT(band)= -0.003150 trlgG= -0.037448 logG= -0.029894 TDE= -0.271410 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019294 tlogG= -0.010090 logG= -0.029383 Density= 0.268982 ETOT(band)= -0.006325 trlgG= -0.040090 logG= -0.029383 TDE= -0.270701 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009685 tlogG= -0.005238 logG= -0.014922 Density= 0.140769 ETOT(band)= 0.002738 trlgG= -0.014516 logG= -0.014922 TDE= -0.135660 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004814 tlogG= -0.002664 logG= -0.007477 Density= 0.068501 ETOT(band)= -0.000556 trlgG= -0.009149 logG= -0.007477 TDE= -0.067884 logGD-logG0= -0.009627 tlogG= -0.005280 logG= -0.014907 Density= 0.136941 ETOT(band)= -0.001059 trlgG= -0.018211 logG= -0.014907 TDE= -0.135670 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009604 tlogG= -0.005142 logG= -0.014746 Density= 0.136194 ETOT(band)= -0.001672 trlgG= -0.018520 logG= -0.014746 TDE= -0.135417 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009619 tlogG= -0.005488 logG= -0.015107 Density= 0.135573 ETOT(band)= -0.002577 trlgG= -0.019756 logG= -0.015107 TDE= -0.135692 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002394 tlogG= -0.001982 logG= -0.004376 Density= 0.035864 ETOT(band)= 0.001569 trlgG= -0.003349 logG= -0.004376 TDE= -0.033639 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002446 tlogG= -0.001892 logG= -0.004338 Density= 0.036977 ETOT(band)= 0.002375 trlgG= -0.002561 logG= -0.004338 TDE= -0.033964 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009465 tlogG= -0.007405 logG= -0.016870 Density= 0.137014 ETOT(band)= 0.000049 trlgG= -0.018741 logG= -0.016870 TDE= -0.134306 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009417 tlogG= -0.007761 logG= -0.017178 Density= 0.138128 ETOT(band)= 0.001407 trlgG= -0.017670 logG= -0.017178 TDE= -0.134006 logGD-logG0= -0.002343 tlogG= -0.002350 logG= -0.004692 Density= 0.034798 ETOT(band)= 0.000598 trlgG= -0.004590 logG= -0.004692 TDE= -0.033533 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009399 tlogG= -0.007994 logG= -0.017392 Density= 0.138419 ETOT(band)= 0.001809 trlgG= -0.017489 logG= -0.017392 TDE= -0.133891 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009737 tlogG= -0.007240 logG= -0.016977 Density= 0.145275 ETOT(band)= 0.007771 trlgG= -0.011426 logG= -0.016977 TDE= -0.134870 logGD-logG0= -0.009482 tlogG= -0.007363 logG= -0.016845 Density= 0.140971 ETOT(band)= 0.004183 trlgG= -0.014898 logG= -0.016845 TDE= -0.134313 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009430 tlogG= -0.008465 logG= -0.017895 Density= 0.140761 ETOT(band)= 0.003907 trlgG= -0.016083 logG= -0.017895 TDE= -0.134246 logGD-logG0= -0.004698 tlogG= -0.004035 logG= -0.008733 Density= 0.069795 ETOT(band)= 0.001483 trlgG= -0.008263 logG= -0.008733 TDE= -0.066993 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009464 tlogG= -0.006910 logG= -0.016373 logGD-logG0= -0.009517 tlogG= -0.006361 logG= -0.015878 Density= 0.136928 ETOT(band)= 0.000165 trlgG= -0.017907 logG= -0.015878 TDE= -0.134382 Density= 0.139036 ETOT(band)= 0.002574 trlgG= -0.015988 logG= -0.016373 TDE= -0.134006 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009616 tlogG= -0.005336 logG= -0.014953 Density= 0.134507 ETOT(band)= -0.002166 trlgG= -0.019361 logG= -0.014953 TDE= -0.134422 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018834 tlogG= -0.015817 logG= -0.034650 Density= 0.279967 ETOT(band)= 0.006579 trlgG= -0.032238 logG= -0.034650 TDE= -0.268200 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019191 tlogG= -0.013322 logG= -0.032513 Density= 0.285263 ETOT(band)= 0.011195 trlgG= -0.026090 logG= -0.032513 TDE= -0.269308 logGD-logG0= -0.004786 tlogG= -0.002837 logG= -0.007623 Density= 0.068565 ETOT(band)= 0.000438 trlgG= -0.008391 logG= -0.007623 TDE= -0.067042 logGD-logG0= -0.009685 tlogG= -0.004963 logG= -0.014649 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.132105 ETOT(band)= -0.004397 trlgG= -0.021438 logG= -0.014649 TDE= -0.134480 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009363 tlogG= -0.009066 logG= -0.018429 Density= 0.139295 ETOT(band)= 0.002515 trlgG= -0.017861 logG= -0.018429 TDE= -0.134072 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018942 tlogG= -0.014007 logG= -0.032949 Density= 0.276788 ETOT(band)= 0.003411 trlgG= -0.033834 logG= -0.032949 TDE= -0.268425 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009825 tlogG= -0.006822 logG= -0.016647 Density= 0.146105 ETOT(band)= 0.008199 trlgG= -0.010846 logG= -0.016647 TDE= -0.135422 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009698 tlogG= -0.005740 logG= -0.015438 logGD-logG0= -0.019098 tlogG= -0.011745 logG= -0.030843 Density= 0.142319 ETOT(band)= 0.005222 trlgG= -0.012777 logG= -0.015438 TDE= -0.134903 Density= 0.276818 ETOT(band)= 0.003712 trlgG= -0.031985 logG= -0.030843 TDE= -0.268711 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009532 tlogG= -0.007574 logG= -0.017106 Density= 0.142649 ETOT(band)= 0.005673 trlgG= -0.013655 logG= -0.017106 TDE= -0.134432 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009500 tlogG= -0.006704 logG= -0.016204 Density= 0.140763 ETOT(band)= 0.004224 trlgG= -0.014325 logG= -0.016204 TDE= -0.134181 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003114 tlogG= 0.069686 logG= 0.066572 Density= 0.045668 ETOT(band)= 0.000100 trlgG= 0.066030 logG= 0.066572 TDE= -0.044683 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003140 tlogG= 0.070364 logG= 0.067224 Density= 0.046128 ETOT(band)= 0.000559 trlgG= 0.067181 logG= 0.067224 TDE= -0.044630 logGD-logG0= -0.003122 tlogG= 0.069966 logG= 0.066844 Density= 0.046048 ETOT(band)= 0.000451 trlgG= 0.066687 logG= 0.066844 TDE= -0.044667 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002336 tlogG= 0.052283 logG= 0.049947 Density= 0.034319 ETOT(band)= 0.000130 trlgG= 0.049605 logG= 0.049947 TDE= -0.033515 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009414 tlogG= 0.210967 logG= 0.201554 logGD-logG0= -0.004673 tlogG= 0.104775 logG= 0.100103 Density= 0.139067 ETOT(band)= 0.002323 trlgG= 0.201959 logG= 0.201554 TDE= -0.134015 Density= 0.068901 ETOT(band)= 0.000512 trlgG= 0.099684 logG= 0.100103 TDE= -0.067017 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009359 tlogG= 0.209911 logG= 0.200551 Density= 0.138131 ETOT(band)= 0.001398 trlgG= 0.200042 logG= 0.200551 TDE= -0.134025 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009394 tlogG= 0.210608 logG= 0.201214 Density= 0.138685 ETOT(band)= 0.001975 trlgG= 0.201298 logG= 0.201214 TDE= -0.133967 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.95498735051102 eV TrLogG= -11.5404217674472 eV Ratio to renormalize= 0.999999999733 rho-rho_expected= 0.000000004278 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 37) Finished k-point number 38 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 46) Finished k-point number 47 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 47) Finished k-point number 48 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 55) Finished k-point number 56 1 with #bands= 20 41) Finished k-point number 42 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 92) Finished k-point number 93 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 90) Finished k-point number 91 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 97) Finished k-point number 98 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 98) Finished k-point number 99 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 77) Finished k-point number 78 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 73) Finished k-point number 74 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933001842823343 0.929773261469357 7) Finished k-point number 8 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 21) Finished k-point number 22 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 64) Finished k-point number 65 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 78) Finished k-point number 79 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 70) Finished k-point number 71 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1510877844231 Density= 15.9974412092121 16.0000000000000 EF 13.4232016165367 Density= 16.5014966683658 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98658721 0.96658721 0.501497 -0.255879E-02 1 0.97658721 0.96658723 0.258123 -0.255879E-02 2 0.97158722 0.96658746 0.130749 -0.255879E-02 3 0.96908734 0.96658710 0.649511E-01 -0.255879E-02 4 0.96783722 0.96658728 0.314265E-01 -0.255879E-02 5 0.96721225 0.96658743 0.144954E-01 -0.255879E-02 6 0.96689984 0.96658712 0.598685E-02 -0.255879E-02 7 0.96674348 0.96658751 0.171669E-02 -0.255879E-02 8 0.96668083 0.96658751 0.363623E-05 -0.255879E-02 9 0.96668070 0.96658751 0.472609E-08 -0.255879E-02 10 0.96668070 0.96658751 0.213163E-13 -0.255879E-02 Absolute convergence of |F(X)|. Difference in EF= 0.0012719917 EF set to : 13.1523597762 new EF (no-mixing): 13.1523597762 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001214 tlogG= -0.001265 logG= -0.002479 Density= 0.018875 ETOT(band)= 0.001007 trlgG= -0.001766 logG= -0.002479 TDE= -0.017533 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002422 tlogG= -0.002435 logG= -0.004856 Density= 0.037702 ETOT(band)= 0.002110 trlgG= -0.003340 logG= -0.004856 TDE= -0.034929 logGD-logG0= -0.009693 tlogG= -0.009655 logG= -0.019347 Density= 0.150905 ETOT(band)= 0.008315 trlgG= -0.013391 logG= -0.019347 TDE= -0.139921 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004842 tlogG= -0.004682 logG= -0.009524 Density= 0.075430 ETOT(band)= 0.004241 trlgG= -0.006465 logG= -0.009524 TDE= -0.069858 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002426 tlogG= -0.002113 logG= -0.004540 Density= 0.037265 ETOT(band)= 0.002159 trlgG= -0.003030 logG= -0.004540 TDE= -0.034514 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009715 tlogG= -0.006827 logG= -0.016542 Density= 0.145314 ETOT(band)= 0.005421 trlgG= -0.013589 logG= -0.016542 TDE= -0.137519 logGD-logG0= -0.004861 tlogG= -0.004260 logG= -0.009121 Density= 0.075091 ETOT(band)= 0.004277 trlgG= -0.006099 logG= -0.009121 TDE= -0.069566 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009715 tlogG= -0.008195 logG= -0.017910 Density= 0.149847 ETOT(band)= 0.008777 trlgG= -0.011641 logG= -0.017910 TDE= -0.138585 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009720 tlogG= -0.008799 logG= -0.018520 Density= 0.149992 ETOT(band)= 0.008800 trlgG= -0.012235 logG= -0.018520 TDE= -0.138710 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009729 tlogG= -0.008931 logG= -0.018660 Density= 0.150435 ETOT(band)= 0.008784 trlgG= -0.012338 logG= -0.018660 TDE= -0.139101 logGD-logG0= -0.009688 tlogG= -0.007938 logG= -0.017627 Density= 0.149351 ETOT(band)= 0.009332 trlgG= -0.010793 logG= -0.017627 TDE= -0.137541 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001581 tlogG= -0.001321 logG= -0.002903 Density= 0.022663 ETOT(band)= -0.000450 trlgG= -0.003695 logG= -0.002903 TDE= -0.022700 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.019395 tlogG= -0.015054 logG= -0.034449 logGD-logG0= -0.019429 tlogG= -0.016168 logG= -0.035598 Density= 0.298437 ETOT(band)= 0.018148 trlgG= -0.021196 logG= -0.034449 TDE= -0.275240 Density= 0.299834 ETOT(band)= 0.017464 trlgG= -0.023150 logG= -0.035598 TDE= -0.277396 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009716 tlogG= -0.006782 logG= -0.016498 Density= 0.147477 ETOT(band)= 0.007659 trlgG= -0.011329 logG= -0.016498 TDE= -0.137394 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003111 tlogG= -0.002619 logG= -0.005731 Density= 0.045681 ETOT(band)= 0.000039 trlgG= -0.006269 logG= -0.005731 TDE= -0.044697 logGD-logG0= -0.003157 tlogG= -0.002539 logG= -0.005696 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.045149 ETOT(band)= -0.000901 trlgG= -0.007326 logG= -0.005696 TDE= -0.045274 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009480 tlogG= -0.007492 logG= -0.016972 Density= 0.136116 ETOT(band)= -0.002324 trlgG= -0.021492 logG= -0.016972 TDE= -0.136100 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003140 tlogG= -0.002566 logG= -0.005706 Density= 0.045392 ETOT(band)= -0.000484 trlgG= -0.006846 logG= -0.005706 TDE= -0.045019 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009473 tlogG= -0.007408 logG= -0.016882 Density= 0.135980 ETOT(band)= -0.002274 trlgG= -0.021370 logG= -0.016882 TDE= -0.135938 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009459 tlogG= -0.007337 logG= -0.016796 Density= 0.136031 ETOT(band)= -0.001878 trlgG= -0.020862 logG= -0.016796 TDE= -0.135564 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009491 tlogG= -0.006713 logG= -0.016205 Density= 0.137458 ETOT(band)= -0.000720 trlgG= -0.019206 logG= -0.016205 TDE= -0.135879 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009402 tlogG= -0.007410 logG= -0.016812 Density= 0.136727 ETOT(band)= -0.000553 trlgG= -0.019313 logG= -0.016812 TDE= -0.134671 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009722 tlogG= -0.007701 logG= -0.017423 Density= 0.148644 ETOT(band)= 0.009447 trlgG= -0.010479 logG= -0.017423 TDE= -0.136747 logGD-logG0= -0.009438 tlogG= -0.007371 logG= -0.016808 Density= 0.136263 ETOT(band)= -0.001472 trlgG= -0.020384 logG= -0.016808 TDE= -0.135299 logGD-logG0= -0.009777 tlogG= -0.007286 logG= -0.017063 Density= 0.147585 ETOT(band)= 0.008123 trlgG= -0.011446 logG= -0.017063 TDE= -0.137050 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009788 tlogG= -0.006581 logG= -0.016370 Density= 0.143377 ETOT(band)= 0.004154 trlgG= -0.014543 logG= -0.016370 TDE= -0.136774 logGD-logG0= -0.009497 tlogG= -0.006682 logG= -0.016179 Density= 0.137409 ETOT(band)= -0.000691 trlgG= -0.019181 logG= -0.016179 TDE= -0.135834 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009460 tlogG= -0.006579 logG= -0.016039 Density= 0.137180 ETOT(band)= -0.000503 trlgG= -0.018778 logG= -0.016039 TDE= -0.135349 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009427 tlogG= -0.006880 logG= -0.016307 Density= 0.138658 ETOT(band)= 0.001562 trlgG= -0.016932 logG= -0.016307 TDE= -0.134663 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009587 tlogG= -0.006429 logG= -0.016016 Density= 0.140376 ETOT(band)= 0.002430 trlgG= -0.015886 logG= -0.016016 TDE= -0.135569 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009676 tlogG= -0.006666 logG= -0.016342 Density= 0.143902 ETOT(band)= 0.006149 trlgG= -0.012466 logG= -0.016342 TDE= -0.135231 logGD-logG0= -0.009570 tlogG= -0.005664 logG= -0.015234 Density= 0.133462 ETOT(band)= -0.004380 trlgG= -0.021680 logG= -0.015234 TDE= -0.135462 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009479 tlogG= -0.006893 logG= -0.016373 Density= 0.138024 ETOT(band)= 0.000211 trlgG= -0.018225 logG= -0.016373 TDE= -0.135277 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009545 tlogG= -0.005996 logG= -0.015541 Density= 0.137909 ETOT(band)= -0.000164 trlgG= -0.017969 logG= -0.015541 TDE= -0.135742 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004793 tlogG= -0.003115 logG= -0.007908 Density= 0.067315 ETOT(band)= -0.002008 trlgG= -0.011001 logG= -0.007908 TDE= -0.068165 logGD-logG0= -0.004794 tlogG= -0.002595 logG= -0.007389 Density= 0.065569 ETOT(band)= -0.002984 trlgG= -0.011380 logG= -0.007389 TDE= -0.067375 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009524 tlogG= -0.005677 logG= -0.015202 Density= 0.136831 ETOT(band)= -0.000696 trlgG= -0.018195 logG= -0.015202 TDE= -0.135265 logGD-logG0= -0.009590 tlogG= -0.006059 logG= -0.015650 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.135504 ETOT(band)= -0.002819 trlgG= -0.020634 logG= -0.015650 TDE= -0.135973 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009481 tlogG= -0.006903 logG= -0.016384 Density= 0.137005 ETOT(band)= -0.001239 trlgG= -0.019924 logG= -0.016384 TDE= -0.135980 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009560 tlogG= -0.006199 logG= -0.015759 Density= 0.138505 ETOT(band)= 0.000395 trlgG= -0.017560 logG= -0.015759 TDE= -0.135692 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009791 tlogG= -0.006652 logG= -0.016443 Density= 0.144620 ETOT(band)= 0.004866 trlgG= -0.014022 logG= -0.016443 TDE= -0.137381 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019087 tlogG= -0.012242 logG= -0.031329 Density= 0.278000 ETOT(band)= 0.001777 trlgG= -0.034196 logG= -0.031329 TDE= -0.271604 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019067 tlogG= -0.012093 logG= -0.031161 Density= 0.277652 ETOT(band)= 0.001731 trlgG= -0.034046 logG= -0.031161 TDE= -0.271286 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019607 tlogG= -0.012946 logG= -0.032553 Density= 0.287617 ETOT(band)= 0.008660 trlgG= -0.028671 logG= -0.032553 TDE= -0.274152 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018951 tlogG= -0.013811 logG= -0.032762 Density= 0.274156 ETOT(band)= -0.001877 trlgG= -0.039115 logG= -0.032762 TDE= -0.271375 logGD-logG0= -0.019189 tlogG= -0.011573 logG= -0.030761 Density= 0.275565 ETOT(band)= -0.000665 trlgG= -0.035862 logG= -0.030761 TDE= -0.271484 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019160 tlogG= -0.010952 logG= -0.030111 Density= 0.271899 ETOT(band)= -0.003628 trlgG= -0.038279 logG= -0.030111 TDE= -0.271007 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018981 tlogG= -0.012498 logG= -0.031479 Density= 0.278614 ETOT(band)= 0.004112 trlgG= -0.032084 logG= -0.031479 TDE= -0.269936 logGD-logG0= -0.019209 tlogG= -0.010281 logG= -0.029490 Density= 0.266153 ETOT(band)= -0.008281 trlgG= -0.042130 logG= -0.029490 TDE= -0.269925 logGD-logG0= -0.019056 tlogG= -0.012392 logG= -0.031448 logGD-logG0= -0.009592 tlogG= -0.005495 logG= -0.015086 Density= 0.277671 ETOT(band)= 0.002030 trlgG= -0.033878 logG= -0.031448 TDE= -0.270849 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.132968 ETOT(band)= -0.004827 trlgG= -0.021929 logG= -0.015086 TDE= -0.135381 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018878 tlogG= -0.013857 logG= -0.032735 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.274775 ETOT(band)= -0.000104 trlgG= -0.036943 logG= -0.032735 TDE= -0.269827 logGD-logG0= -0.018977 tlogG= -0.011776 logG= -0.030754 logGD-logG0= -0.019344 tlogG= -0.012212 logG= -0.031556 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.276188 ETOT(band)= 0.001590 trlgG= -0.033634 logG= -0.030754 TDE= -0.269866 logGD-logG0= -0.019576 tlogG= -0.013039 logG= -0.032615 Density= 0.290651 ETOT(band)= 0.013911 trlgG= -0.023370 logG= -0.032615 TDE= -0.271721 Density= 0.282389 ETOT(band)= 0.005748 trlgG= -0.030460 logG= -0.031556 TDE= -0.271883 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004883 tlogG= -0.003644 logG= -0.008528 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.074644 ETOT(band)= 0.004399 trlgG= -0.005360 logG= -0.008528 TDE= -0.068990 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009691 tlogG= -0.004873 logG= -0.014563 Density= 0.132391 ETOT(band)= -0.004843 trlgG= -0.021766 logG= -0.014563 TDE= -0.135183 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019276 tlogG= -0.010614 logG= -0.029890 Density= 0.279978 ETOT(band)= 0.004463 trlgG= -0.029966 logG= -0.029890 TDE= -0.270726 logGD-logG0= -0.000388 tlogG= 0.008694 logG= 0.008306 Density= 0.005690 ETOT(band)= -0.000007 trlgG= 0.008220 logG= 0.008306 TDE= -0.005586 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019240 tlogG= -0.010707 logG= -0.029948 Density= 0.273039 ETOT(band)= -0.003112 trlgG= -0.037434 logG= -0.029948 TDE= -0.271428 logGD-logG0= -0.019207 tlogG= -0.011759 logG= -0.030966 Density= 0.269317 ETOT(band)= -0.007347 trlgG= -0.042653 logG= -0.030966 TDE= -0.272031 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019187 tlogG= -0.010693 logG= -0.029880 Density= 0.277203 ETOT(band)= 0.002660 trlgG= -0.032158 logG= -0.029880 TDE= -0.270245 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009670 tlogG= -0.005280 logG= -0.014951 Density= 0.140764 ETOT(band)= 0.002720 trlgG= -0.014546 logG= -0.014951 TDE= -0.135669 logGD-logG0= -0.019376 tlogG= -0.011272 logG= -0.030648 Density= 0.279793 ETOT(band)= 0.003270 trlgG= -0.032041 logG= -0.030648 TDE= -0.271863 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019261 tlogG= -0.010185 logG= -0.029445 Density= 0.269092 ETOT(band)= -0.006242 trlgG= -0.040038 logG= -0.029445 TDE= -0.270719 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009794 tlogG= -0.006122 logG= -0.015916 logGD-logG0= -0.019464 tlogG= -0.012030 logG= -0.031494 Density= 0.144903 ETOT(band)= 0.006309 trlgG= -0.011956 logG= -0.015916 TDE= -0.136114 Density= 0.281606 ETOT(band)= 0.003691 trlgG= -0.032440 logG= -0.031494 TDE= -0.273169 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009589 tlogG= -0.005188 logG= -0.014776 Density= 0.136216 ETOT(band)= -0.001662 trlgG= -0.018526 logG= -0.014776 TDE= -0.135427 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009611 tlogG= -0.005326 logG= -0.014937 Density= 0.136972 ETOT(band)= -0.001040 trlgG= -0.018209 logG= -0.014937 TDE= -0.135680 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004806 tlogG= -0.002687 logG= -0.007493 logGD-logG0= -0.009603 tlogG= -0.005535 logG= -0.015138 Density= 0.068508 ETOT(band)= -0.000555 trlgG= -0.009156 logG= -0.007493 TDE= -0.067888 Density= 0.135606 ETOT(band)= -0.002556 trlgG= -0.019750 logG= -0.015138 TDE= -0.135700 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002441 tlogG= -0.001905 logG= -0.004346 Density= 0.036984 ETOT(band)= 0.002380 trlgG= -0.002561 logG= -0.004346 TDE= -0.033967 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002391 tlogG= -0.001993 logG= -0.004384 Density= 0.035843 ETOT(band)= 0.001546 trlgG= -0.003376 logG= -0.004384 TDE= -0.033642 logGD-logG0= -0.009401 tlogG= -0.007808 logG= -0.017208 Density= 0.138072 ETOT(band)= 0.001339 trlgG= -0.017753 logG= -0.017208 TDE= -0.134016 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009382 tlogG= -0.008038 logG= -0.017420 logGD-logG0= -0.009725 tlogG= -0.007282 logG= -0.017006 Density= 0.138360 ETOT(band)= 0.001739 trlgG= -0.017571 logG= -0.017420 TDE= -0.133901 Density= 0.145188 ETOT(band)= 0.007672 trlgG= -0.011536 logG= -0.017006 TDE= -0.134880 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002339 tlogG= -0.002361 logG= -0.004700 Density= 0.034783 ETOT(band)= 0.000579 trlgG= -0.004612 logG= -0.004700 TDE= -0.033536 logGD-logG0= -0.009448 tlogG= -0.007451 logG= -0.016899 Density= 0.136973 ETOT(band)= -0.000002 trlgG= -0.018805 logG= -0.016899 TDE= -0.134315 logGD-logG0= -0.009469 tlogG= -0.007408 logG= -0.016876 Density= 0.140907 ETOT(band)= 0.004108 trlgG= -0.014987 logG= -0.016876 TDE= -0.134323 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009416 tlogG= -0.008509 logG= -0.017925 Density= 0.140694 ETOT(band)= 0.003829 trlgG= -0.016176 logG= -0.017925 TDE= -0.134256 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004690 tlogG= -0.004056 logG= -0.008746 Density= 0.069764 ETOT(band)= 0.001446 trlgG= -0.008304 logG= -0.008746 TDE= -0.066998 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009449 tlogG= -0.006953 logG= -0.016402 Density= 0.138992 ETOT(band)= 0.002520 trlgG= -0.016057 logG= -0.016402 TDE= -0.134016 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009502 tlogG= -0.006407 logG= -0.015909 logGD-logG0= -0.018806 tlogG= -0.015906 logG= -0.034712 Density= 0.279838 ETOT(band)= 0.006428 trlgG= -0.032418 logG= -0.034712 TDE= -0.268221 Density= 0.136933 ETOT(band)= 0.000159 trlgG= -0.017930 logG= -0.015909 TDE= -0.134391 logGD-logG0= -0.009601 tlogG= -0.005383 logG= -0.014984 Density= 0.134512 ETOT(band)= -0.002171 trlgG= -0.019384 logG= -0.014984 TDE= -0.134431 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004779 tlogG= -0.002860 logG= -0.007639 Density= 0.068581 ETOT(band)= 0.000449 trlgG= -0.008390 logG= -0.007639 TDE= -0.067047 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019166 tlogG= -0.013408 logG= -0.032574 Density= 0.285140 ETOT(band)= 0.011050 trlgG= -0.026263 logG= -0.032574 TDE= -0.269329 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009804 tlogG= -0.006872 logG= -0.016677 Density= 0.146081 ETOT(band)= 0.008165 trlgG= -0.010893 logG= -0.016677 TDE= -0.135430 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009348 tlogG= -0.009111 logG= -0.018459 Density= 0.139230 ETOT(band)= 0.002439 trlgG= -0.017950 logG= -0.018459 TDE= -0.134082 logGD-logG0= -0.009676 tlogG= -0.005005 logG= -0.014681 logGD-logG0= -0.018913 tlogG= -0.014097 logG= -0.033009 Density= 0.131991 ETOT(band)= -0.004523 trlgG= -0.021578 logG= -0.014681 TDE= -0.134491 Density= 0.276701 ETOT(band)= 0.003301 trlgG= -0.033973 logG= -0.033009 TDE= -0.268446 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009519 tlogG= -0.007617 logG= -0.017136 Density= 0.142574 ETOT(band)= 0.005587 trlgG= -0.013755 logG= -0.017136 TDE= -0.134442 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009686 tlogG= -0.005783 logG= -0.015469 Density= 0.142322 ETOT(band)= 0.005214 trlgG= -0.012801 logG= -0.015469 TDE= -0.134913 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009487 tlogG= -0.006747 logG= -0.016234 Density= 0.140718 ETOT(band)= 0.004167 trlgG= -0.014396 logG= -0.016234 TDE= -0.134192 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019067 tlogG= -0.011833 logG= -0.030900 Density= 0.276854 ETOT(band)= 0.003725 trlgG= -0.032001 logG= -0.030900 TDE= -0.268731 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003135 tlogG= 0.070355 logG= 0.067220 Density= 0.046107 ETOT(band)= 0.000535 trlgG= 0.067158 logG= 0.067220 TDE= -0.044633 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003108 tlogG= 0.069677 logG= 0.066569 Density= 0.045650 ETOT(band)= 0.000079 trlgG= 0.066012 logG= 0.066569 TDE= -0.044686 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003116 tlogG= 0.069958 logG= 0.066842 Density= 0.046027 ETOT(band)= 0.000426 trlgG= 0.066665 logG= 0.066842 TDE= -0.044670 logGD-logG0= -0.002331 tlogG= 0.052277 logG= 0.049945 Density= 0.034305 ETOT(band)= 0.000113 trlgG= 0.049590 logG= 0.049945 TDE= -0.033517 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009399 tlogG= 0.210943 logG= 0.201544 Density= 0.139001 ETOT(band)= 0.002246 trlgG= 0.201888 logG= 0.201544 TDE= -0.134025 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004664 tlogG= 0.104763 logG= 0.100099 Density= 0.068871 ETOT(band)= 0.000476 trlgG= 0.099653 logG= 0.100099 TDE= -0.067021 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009343 tlogG= 0.209886 logG= 0.200543 Density= 0.138071 ETOT(band)= 0.001328 trlgG= 0.199980 logG= 0.200543 TDE= -0.134034 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009378 tlogG= 0.210584 logG= 0.201206 Density= 0.138621 ETOT(band)= 0.001900 trlgG= 0.201232 logG= 0.201206 TDE= -0.133977 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.93742923961682 eV TrLogG= -11.5797025739492 eV Ratio to renormalize= 0.999999999739 rho-rho_expected= 0.000000004175 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 20) Finished k-point number 21 1 with #bands= 26 92) Finished k-point number 93 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 30) Finished k-point number 31 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 88) Finished k-point number 89 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 102) Finished k-point number 103 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 103) Finished k-point number 104 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 55) Finished k-point number 56 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 74) Finished k-point number 75 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933004701185149 0.929731128890565 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 11) Finished k-point number 12 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1523597761668 Density= 16.0025365255756 16.0000000000000 EF 12.8802459440532 Density= 15.3720648115830 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96668070 0.94668070 0.253653E-02 -0.627935 1 0.96660024 0.94668070 0.337781E-03 -0.627935 2 0.96658788 0.96660024 -0.255112E-08 0.337781E-03 3 0.96658788 0.96658788 0.183135E-09 -0.255112E-08 4 0.96658788 0.96658788 -0.255112E-08 0.183135E-09 5 0.96658788 0.96658788 -0.255112E-08 0.183135E-09 Absolute convergence of the X interval. Difference in EF= -0.0012628673 EF set to : 13.1510969089 new EF (no-mixing): 13.1510969089 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001214 tlogG= -0.001265 logG= -0.002479 Density= 0.018876 ETOT(band)= 0.001006 trlgG= -0.001766 logG= -0.002479 TDE= -0.017532 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009692 tlogG= -0.009654 logG= -0.019347 Density= 0.150915 ETOT(band)= 0.008312 trlgG= -0.013391 logG= -0.019347 TDE= -0.139917 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002422 tlogG= -0.002435 logG= -0.004856 Density= 0.037704 ETOT(band)= 0.002109 trlgG= -0.003340 logG= -0.004856 TDE= -0.034928 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004842 tlogG= -0.004681 logG= -0.009524 Density= 0.075435 ETOT(band)= 0.004240 trlgG= -0.006465 logG= -0.009524 TDE= -0.069856 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002426 tlogG= -0.002113 logG= -0.004539 Density= 0.037269 ETOT(band)= 0.002159 trlgG= -0.003029 logG= -0.004539 TDE= -0.034514 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009715 tlogG= -0.008194 logG= -0.017909 Density= 0.149858 ETOT(band)= 0.008775 trlgG= -0.011640 logG= -0.017909 TDE= -0.138582 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009715 tlogG= -0.006826 logG= -0.016541 Density= 0.145304 ETOT(band)= 0.005400 trlgG= -0.013608 logG= -0.016541 TDE= -0.137516 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004861 tlogG= -0.004260 logG= -0.009121 Density= 0.075096 ETOT(band)= 0.004276 trlgG= -0.006098 logG= -0.009121 TDE= -0.069564 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009720 tlogG= -0.008798 logG= -0.018518 Density= 0.150002 ETOT(band)= 0.008798 trlgG= -0.012234 logG= -0.018518 TDE= -0.138706 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001581 tlogG= -0.001321 logG= -0.002902 Density= 0.022664 ETOT(band)= -0.000451 trlgG= -0.003696 logG= -0.002902 TDE= -0.022700 logGD-logG0= -0.009728 tlogG= -0.008930 logG= -0.018659 Density= 0.150444 ETOT(band)= 0.008781 trlgG= -0.012338 logG= -0.018659 TDE= -0.139097 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009688 tlogG= -0.007937 logG= -0.017625 Density= 0.149362 ETOT(band)= 0.009330 trlgG= -0.010792 logG= -0.017625 TDE= -0.137537 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019429 tlogG= -0.016167 logG= -0.035595 Density= 0.299854 ETOT(band)= 0.017460 trlgG= -0.023148 logG= -0.035595 TDE= -0.277389 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019394 tlogG= -0.015053 logG= -0.034447 Density= 0.298455 ETOT(band)= 0.018141 trlgG= -0.021197 logG= -0.034447 TDE= -0.275233 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009716 tlogG= -0.006781 logG= -0.016497 Density= 0.147484 ETOT(band)= 0.007654 trlgG= -0.011332 logG= -0.016497 TDE= -0.137391 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003157 tlogG= -0.002540 logG= -0.005697 Density= 0.045151 ETOT(band)= -0.000903 trlgG= -0.007328 logG= -0.005697 TDE= -0.045273 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009473 tlogG= -0.007409 logG= -0.016882 Density= 0.135985 ETOT(band)= -0.002281 trlgG= -0.021376 logG= -0.016882 TDE= -0.135936 logGD-logG0= -0.003139 tlogG= -0.002566 logG= -0.005705 Density= 0.045393 ETOT(band)= -0.000487 trlgG= -0.006847 logG= -0.005705 TDE= -0.045019 logGD-logG0= -0.003111 tlogG= -0.002620 logG= -0.005731 Density= 0.045682 ETOT(band)= 0.000036 trlgG= -0.006272 logG= -0.005731 TDE= -0.044697 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009480 tlogG= -0.007492 logG= -0.016972 Density= 0.136121 ETOT(band)= -0.002332 trlgG= -0.021498 logG= -0.016972 TDE= -0.136099 logGD-logG0= -0.009459 tlogG= -0.007339 logG= -0.016798 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136036 ETOT(band)= -0.001885 trlgG= -0.020870 logG= -0.016798 TDE= -0.135563 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009402 tlogG= -0.007408 logG= -0.016810 Density= 0.136731 ETOT(band)= -0.000562 trlgG= -0.019317 logG= -0.016810 TDE= -0.134670 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009489 tlogG= -0.006710 logG= -0.016198 Density= 0.137460 ETOT(band)= -0.000731 trlgG= -0.019208 logG= -0.016198 TDE= -0.135877 logGD-logG0= -0.009777 tlogG= -0.007285 logG= -0.017063 Density= 0.147596 ETOT(band)= 0.008122 trlgG= -0.011445 logG= -0.017063 TDE= -0.137047 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009461 tlogG= -0.006581 logG= -0.016042 Density= 0.137184 ETOT(band)= -0.000511 trlgG= -0.018788 logG= -0.016042 TDE= -0.135346 logGD-logG0= -0.009788 tlogG= -0.006583 logG= -0.016371 Density= 0.143375 ETOT(band)= 0.004140 trlgG= -0.014557 logG= -0.016371 TDE= -0.136771 logGD-logG0= -0.009497 tlogG= -0.006680 logG= -0.016177 Density= 0.137413 ETOT(band)= -0.000699 trlgG= -0.019187 logG= -0.016177 TDE= -0.135831 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009722 tlogG= -0.007699 logG= -0.017422 Density= 0.148653 ETOT(band)= 0.009445 trlgG= -0.010479 logG= -0.017422 TDE= -0.136743 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009437 tlogG= -0.007370 logG= -0.016807 Density= 0.136268 ETOT(band)= -0.001479 trlgG= -0.020389 logG= -0.016807 TDE= -0.135297 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004793 tlogG= -0.003115 logG= -0.007908 Density= 0.067317 ETOT(band)= -0.002012 trlgG= -0.011004 logG= -0.007908 TDE= -0.068164 logGD-logG0= -0.009545 tlogG= -0.005997 logG= -0.015543 logGD-logG0= -0.009586 tlogG= -0.006429 logG= -0.016015 Density= 0.140371 ETOT(band)= 0.002413 trlgG= -0.015900 logG= -0.016015 TDE= -0.135566 Density= 0.137909 ETOT(band)= -0.000176 trlgG= -0.017982 logG= -0.015543 TDE= -0.135740 logGD-logG0= -0.009426 tlogG= -0.006882 logG= -0.016308 Density= 0.138658 ETOT(band)= 0.001550 trlgG= -0.016944 logG= -0.016308 TDE= -0.134661 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009480 tlogG= -0.006896 logG= -0.016375 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138026 ETOT(band)= 0.000201 trlgG= -0.018237 logG= -0.016375 TDE= -0.135275 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009675 tlogG= -0.006665 logG= -0.016340 Density= 0.143892 ETOT(band)= 0.006127 trlgG= -0.012485 logG= -0.016340 TDE= -0.135229 logGD-logG0= -0.009591 tlogG= -0.006060 logG= -0.015650 Density= 0.135504 ETOT(band)= -0.002831 trlgG= -0.020645 logG= -0.015650 TDE= -0.135971 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009570 tlogG= -0.005666 logG= -0.015236 Density= 0.133468 ETOT(band)= -0.004386 trlgG= -0.021688 logG= -0.015236 TDE= -0.135460 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009522 tlogG= -0.005674 logG= -0.015197 logGD-logG0= -0.004794 tlogG= -0.002595 logG= -0.007390 Density= 0.065573 ETOT(band)= -0.002985 trlgG= -0.011382 logG= -0.007390 TDE= -0.067374 Density= 0.136830 ETOT(band)= -0.000710 trlgG= -0.018201 logG= -0.015197 TDE= -0.135263 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009481 tlogG= -0.006906 logG= -0.016387 Density= 0.137008 ETOT(band)= -0.001248 trlgG= -0.019935 logG= -0.016387 TDE= -0.135978 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009560 tlogG= -0.006199 logG= -0.015759 Density= 0.138503 ETOT(band)= 0.000381 trlgG= -0.017573 logG= -0.015759 TDE= -0.135689 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019086 tlogG= -0.012244 logG= -0.031329 Density= 0.277998 ETOT(band)= 0.001750 trlgG= -0.034219 logG= -0.031329 TDE= -0.271599 logGD-logG0= -0.019069 tlogG= -0.012096 logG= -0.031165 Density= 0.277661 ETOT(band)= 0.001717 trlgG= -0.034062 logG= -0.031165 TDE= -0.271281 logGD-logG0= -0.019162 tlogG= -0.010955 logG= -0.030117 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.271893 ETOT(band)= -0.003656 trlgG= -0.038311 logG= -0.030117 TDE= -0.271003 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009791 tlogG= -0.006651 logG= -0.016442 Density= 0.144613 ETOT(band)= 0.004847 trlgG= -0.014039 logG= -0.016442 TDE= -0.137378 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018980 tlogG= -0.012498 logG= -0.031478 Density= 0.278611 ETOT(band)= 0.004085 trlgG= -0.032107 logG= -0.031478 TDE= -0.269931 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019056 tlogG= -0.012395 logG= -0.031451 logGD-logG0= -0.019342 tlogG= -0.012208 logG= -0.031551 Density= 0.277669 ETOT(band)= 0.002004 trlgG= -0.033904 logG= -0.031451 TDE= -0.270845 Density= 0.282369 ETOT(band)= 0.005705 trlgG= -0.030494 logG= -0.031551 TDE= -0.271878 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018950 tlogG= -0.013811 logG= -0.032762 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.274164 ETOT(band)= -0.001894 trlgG= -0.039129 logG= -0.032762 TDE= -0.271370 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019188 tlogG= -0.011572 logG= -0.030760 Density= 0.275554 ETOT(band)= -0.000699 trlgG= -0.035892 logG= -0.030760 TDE= -0.271479 logGD-logG0= -0.004883 tlogG= -0.003644 logG= -0.008527 Density= 0.074648 ETOT(band)= 0.004397 trlgG= -0.005361 logG= -0.008527 TDE= -0.068988 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019607 tlogG= -0.012947 logG= -0.032554 Density= 0.287608 ETOT(band)= 0.008628 trlgG= -0.028702 logG= -0.032554 TDE= -0.274146 logGD-logG0= -0.019209 tlogG= -0.010283 logG= -0.029492 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.266143 ETOT(band)= -0.008314 trlgG= -0.042162 logG= -0.029492 TDE= -0.269921 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018879 tlogG= -0.013864 logG= -0.032742 Density= 0.274782 ETOT(band)= -0.000121 trlgG= -0.036964 logG= -0.032742 TDE= -0.269823 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019576 tlogG= -0.013038 logG= -0.032614 Density= 0.290657 ETOT(band)= 0.013893 trlgG= -0.023384 logG= -0.032614 TDE= -0.271715 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019274 tlogG= -0.010617 logG= -0.029892 Density= 0.279944 ETOT(band)= 0.004405 trlgG= -0.030022 logG= -0.029892 TDE= -0.270721 logGD-logG0= -0.000388 tlogG= 0.008693 logG= 0.008305 Density= 0.005691 ETOT(band)= -0.000007 trlgG= 0.008219 logG= 0.008305 TDE= -0.005586 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009689 tlogG= -0.004871 logG= -0.014561 Density= 0.132372 ETOT(band)= -0.004873 trlgG= -0.021792 logG= -0.014561 TDE= -0.135180 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009590 tlogG= -0.005490 logG= -0.015080 logGD-logG0= -0.018977 tlogG= -0.011775 logG= -0.030752 Density= 0.132960 ETOT(band)= -0.004848 trlgG= -0.021941 logG= -0.015080 TDE= -0.135379 Density= 0.276186 ETOT(band)= 0.001564 trlgG= -0.033655 logG= -0.030752 TDE= -0.269862 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019206 tlogG= -0.011759 logG= -0.030965 Density= 0.269324 ETOT(band)= -0.007364 trlgG= -0.042667 logG= -0.030965 TDE= -0.272027 logGD-logG0= -0.009671 tlogG= -0.005281 logG= -0.014951 Density= 0.140761 ETOT(band)= 0.002705 trlgG= -0.014560 logG= -0.014951 TDE= -0.135666 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019186 tlogG= -0.010696 logG= -0.029883 Density= 0.277201 ETOT(band)= 0.002635 trlgG= -0.032184 logG= -0.029883 TDE= -0.270240 logGD-logG0= -0.019240 tlogG= -0.010707 logG= -0.029947 Density= 0.273030 ETOT(band)= -0.003145 trlgG= -0.037463 logG= -0.029947 TDE= -0.271423 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019376 tlogG= -0.011271 logG= -0.030647 Density= 0.279768 ETOT(band)= 0.003224 trlgG= -0.032083 logG= -0.030647 TDE= -0.271857 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019462 tlogG= -0.012029 logG= -0.031491 Density= 0.281581 ETOT(band)= 0.003644 trlgG= -0.032481 logG= -0.031491 TDE= -0.273164 logGD-logG0= -0.009794 tlogG= -0.006122 logG= -0.015916 Density= 0.144902 ETOT(band)= 0.006295 trlgG= -0.011967 logG= -0.015916 TDE= -0.136111 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019259 tlogG= -0.010187 logG= -0.029446 Density= 0.269084 ETOT(band)= -0.006275 trlgG= -0.040068 logG= -0.029446 TDE= -0.270715 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009589 tlogG= -0.005188 logG= -0.014777 Density= 0.136216 ETOT(band)= -0.001674 trlgG= -0.018537 logG= -0.014777 TDE= -0.135425 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009611 tlogG= -0.005326 logG= -0.014937 Density= 0.136970 ETOT(band)= -0.001054 trlgG= -0.018222 logG= -0.014937 TDE= -0.135678 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004806 tlogG= -0.002687 logG= -0.007493 Density= 0.068508 ETOT(band)= -0.000561 trlgG= -0.009161 logG= -0.007493 TDE= -0.067887 logGD-logG0= -0.009604 tlogG= -0.005537 logG= -0.015141 Density= 0.135606 ETOT(band)= -0.002567 trlgG= -0.019764 logG= -0.015141 TDE= -0.135699 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002441 tlogG= -0.001905 logG= -0.004346 Density= 0.036985 ETOT(band)= 0.002378 trlgG= -0.002562 logG= -0.004346 TDE= -0.033966 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002339 tlogG= -0.002361 logG= -0.004700 Density= 0.034783 ETOT(band)= 0.000577 trlgG= -0.004614 logG= -0.004700 TDE= -0.033535 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002391 tlogG= -0.001993 logG= -0.004383 Density= 0.035843 ETOT(band)= 0.001542 trlgG= -0.003379 logG= -0.004383 TDE= -0.033641 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009401 tlogG= -0.007807 logG= -0.017208 Density= 0.138074 ETOT(band)= 0.001329 trlgG= -0.017761 logG= -0.017208 TDE= -0.134014 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009382 tlogG= -0.008039 logG= -0.017421 Density= 0.138363 ETOT(band)= 0.001728 trlgG= -0.017582 logG= -0.017421 TDE= -0.133900 logGD-logG0= -0.009449 tlogG= -0.007452 logG= -0.016901 Density= 0.136977 ETOT(band)= -0.000011 trlgG= -0.018814 logG= -0.016901 TDE= -0.134313 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009469 tlogG= -0.007407 logG= -0.016876 Density= 0.140906 ETOT(band)= 0.004095 trlgG= -0.014998 logG= -0.016876 TDE= -0.134321 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009416 tlogG= -0.008509 logG= -0.017925 Density= 0.140693 ETOT(band)= 0.003816 trlgG= -0.016187 logG= -0.017925 TDE= -0.134255 logGD-logG0= -0.009724 tlogG= -0.007282 logG= -0.017006 Density= 0.145186 ETOT(band)= 0.007658 trlgG= -0.011549 logG= -0.017006 TDE= -0.134878 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004691 tlogG= -0.004056 logG= -0.008747 Density= 0.069765 ETOT(band)= 0.001442 trlgG= -0.008309 logG= -0.008747 TDE= -0.066997 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009501 tlogG= -0.006408 logG= -0.015909 Density= 0.136936 ETOT(band)= 0.000149 trlgG= -0.017938 logG= -0.015909 TDE= -0.134389 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009600 tlogG= -0.005383 logG= -0.014982 Density= 0.134508 ETOT(band)= -0.002188 trlgG= -0.019398 logG= -0.014982 TDE= -0.134430 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004779 tlogG= -0.002860 logG= -0.007638 Density= 0.068580 ETOT(band)= 0.000442 trlgG= -0.008396 logG= -0.007638 TDE= -0.067046 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019166 tlogG= -0.013408 logG= -0.032574 Density= 0.285133 ETOT(band)= 0.011019 trlgG= -0.026292 logG= -0.032574 TDE= -0.269324 logGD-logG0= -0.009449 tlogG= -0.006952 logG= -0.016401 Density= 0.138994 ETOT(band)= 0.002509 trlgG= -0.016065 logG= -0.016401 TDE= -0.134014 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018806 tlogG= -0.015907 logG= -0.034712 Density= 0.279839 ETOT(band)= 0.006403 trlgG= -0.032441 logG= -0.034712 TDE= -0.268217 logGD-logG0= -0.009348 tlogG= -0.009111 logG= -0.018459 Density= 0.139231 ETOT(band)= 0.002428 trlgG= -0.017960 logG= -0.018459 TDE= -0.134081 logGD-logG0= -0.009675 tlogG= -0.005005 logG= -0.014680 Density= 0.131981 ETOT(band)= -0.004544 trlgG= -0.021598 logG= -0.014680 TDE= -0.134489 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009519 tlogG= -0.007617 logG= -0.017136 Density= 0.142572 ETOT(band)= 0.005573 trlgG= -0.013767 logG= -0.017136 TDE= -0.134440 logGD-logG0= -0.009804 tlogG= -0.006872 logG= -0.016676 Density= 0.146084 ETOT(band)= 0.008155 trlgG= -0.010900 logG= -0.016676 TDE= -0.135427 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018912 tlogG= -0.014097 logG= -0.033008 Density= 0.276705 ETOT(band)= 0.003279 trlgG= -0.033991 logG= -0.033008 TDE= -0.268442 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009488 tlogG= -0.006747 logG= -0.016235 Density= 0.140717 ETOT(band)= 0.004156 trlgG= -0.014409 logG= -0.016235 TDE= -0.134190 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009686 tlogG= -0.005782 logG= -0.015468 Density= 0.142315 ETOT(band)= 0.005196 trlgG= -0.012818 logG= -0.015468 TDE= -0.134910 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019071 tlogG= -0.011838 logG= -0.030909 Density= 0.276858 ETOT(band)= 0.003707 trlgG= -0.032028 logG= -0.030909 TDE= -0.268727 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003108 tlogG= 0.069670 logG= 0.066562 Density= 0.045652 ETOT(band)= 0.000076 trlgG= 0.066002 logG= 0.066562 TDE= -0.044686 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003135 tlogG= 0.070348 logG= 0.067213 Density= 0.046108 ETOT(band)= 0.000531 trlgG= 0.067148 logG= 0.067213 TDE= -0.044632 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002331 tlogG= 0.052271 logG= 0.049940 Density= 0.034306 ETOT(band)= 0.000111 trlgG= 0.049583 logG= 0.049940 TDE= -0.033517 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003116 tlogG= 0.069951 logG= 0.066835 logGD-logG0= -0.009398 tlogG= 0.210922 logG= 0.201523 Density= 0.139003 ETOT(band)= 0.002235 trlgG= 0.201858 logG= 0.201523 TDE= -0.134023 Density= 0.046028 ETOT(band)= 0.000423 trlgG= 0.066655 logG= 0.066835 TDE= -0.044670 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004664 tlogG= 0.104752 logG= 0.100089 Density= 0.068872 ETOT(band)= 0.000472 trlgG= 0.099639 logG= 0.100089 TDE= -0.067021 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009378 tlogG= 0.210563 logG= 0.201185 Density= 0.138624 ETOT(band)= 0.001890 trlgG= 0.201202 logG= 0.201185 TDE= -0.133975 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009343 tlogG= 0.209865 logG= 0.200522 Density= 0.138075 ETOT(band)= 0.001318 trlgG= 0.199951 logG= 0.200522 TDE= -0.134032 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 2.91876198777110 eV TrLogG= -11.5975694098578 eV Ratio to renormalize= 0.999999999899 rho-rho_expected= 0.000000001623 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 37) Finished k-point number 38 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 56) Finished k-point number 57 1 with #bands= 18 35) Finished k-point number 36 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 25) Finished k-point number 26 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 53) Finished k-point number 54 1 with #bands= 18 83) Finished k-point number 84 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 77) Finished k-point number 78 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 73) Finished k-point number 74 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 79) Finished k-point number 80 1 with #bands= 20 26) Finished k-point number 27 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 102) Finished k-point number 103 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 103) Finished k-point number 104 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.932980304434993 0.929772749172877 56) Finished k-point number 57 1 with #bands= 18 7) Finished k-point number 8 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 6) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 81) Finished k-point number 82 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 82) Finished k-point number 83 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 26 90) Finished k-point number 91 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 63) Finished k-point number 64 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.1510969089110 Density= 16.5343214729068 16.0000000000000 EF 12.8789830767974 Density= 16.0561218495709 16.0000000000000 EF 12.6068692446838 Density= 15.5014262260836 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.94658788 0.92658788 0.561218E-01 -0.498574 1 0.94456436 0.92658788 0.524231E-02 -0.498574 2 0.94435804 0.94456436 -0.719225E-05 0.524231E-02 3 0.94435832 0.94435804 0.815421E-08 -0.719225E-05 4 0.94435832 0.94435804 0.106581E-13 -0.719225E-05 Absolute convergence of |F(X)|. Difference in EF too large to mix -0.302448507808511 cutoff= 2.9999999E-02 Difference in EF= -0.3024485078 EF set to : 12.8486484011 new EF (no-mixing): 12.8486484011 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001222 tlogG= -0.001248 logG= -0.002470 Density= 0.019121 ETOT(band)= 0.001259 trlgG= -0.001654 logG= -0.002470 TDE= -0.017241 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009753 tlogG= -0.009528 logG= -0.019281 Density= 0.152859 ETOT(band)= 0.010317 trlgG= -0.012511 logG= -0.019281 TDE= -0.137584 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002437 tlogG= -0.002403 logG= -0.004839 Density= 0.038194 ETOT(band)= 0.002614 trlgG= -0.003116 logG= -0.004839 TDE= -0.034345 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004873 tlogG= -0.004617 logG= -0.009490 Density= 0.076406 ETOT(band)= 0.005241 trlgG= -0.006025 logG= -0.009490 TDE= -0.068689 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002441 tlogG= -0.002081 logG= -0.004522 Density= 0.037833 ETOT(band)= 0.002741 trlgG= -0.002724 logG= -0.004522 TDE= -0.033930 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009783 tlogG= -0.008674 logG= -0.018456 Density= 0.152083 ETOT(band)= 0.010947 trlgG= -0.011208 logG= -0.018456 TDE= -0.136373 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009774 tlogG= -0.006805 logG= -0.016579 Density= 0.141884 ETOT(band)= 0.002281 trlgG= -0.017772 logG= -0.016579 TDE= -0.135183 logGD-logG0= -0.004892 tlogG= -0.004196 logG= -0.009088 Density= 0.076118 ETOT(band)= 0.005333 trlgG= -0.005603 logG= -0.009088 TDE= -0.068398 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009781 tlogG= -0.008069 logG= -0.017850 Density= 0.151857 ETOT(band)= 0.010846 trlgG= -0.010691 logG= -0.017850 TDE= -0.136248 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009794 tlogG= -0.008805 logG= -0.018599 Density= 0.152444 ETOT(band)= 0.010848 trlgG= -0.011402 logG= -0.018599 TDE= -0.136764 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009761 tlogG= -0.007813 logG= -0.017574 Density= 0.151272 ETOT(band)= 0.011313 trlgG= -0.009922 logG= -0.017574 TDE= -0.135204 logGD-logG0= -0.001599 tlogG= -0.001358 logG= -0.002957 Density= 0.022917 ETOT(band)= -0.000188 trlgG= -0.003626 logG= -0.002957 TDE= -0.022311 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.019559 tlogG= -0.014802 logG= -0.034361 Density= 0.301484 ETOT(band)= 0.021333 trlgG= -0.020219 logG= -0.034361 TDE= -0.270567 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019561 tlogG= -0.015915 logG= -0.035476 Density= 0.303823 ETOT(band)= 0.021571 trlgG= -0.021281 logG= -0.035476 TDE= -0.272723 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009814 tlogG= -0.006655 logG= -0.016470 Density= 0.147688 ETOT(band)= 0.007991 trlgG= -0.012056 logG= -0.016470 TDE= -0.135058 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003175 tlogG= -0.002631 logG= -0.005805 Density= 0.045865 ETOT(band)= 0.000005 trlgG= -0.006733 logG= -0.005805 TDE= -0.044241 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003150 tlogG= -0.002675 logG= -0.005824 logGD-logG0= -0.009584 tlogG= -0.007690 logG= -0.017274 Density= 0.046094 ETOT(band)= 0.000469 trlgG= -0.006217 logG= -0.005824 TDE= -0.043921 Density= 0.137518 ETOT(band)= -0.000854 trlgG= -0.021174 logG= -0.017274 TDE= -0.133766 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003190 tlogG= -0.002608 logG= -0.005798 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.045667 ETOT(band)= -0.000365 trlgG= -0.007167 logG= -0.005798 TDE= -0.044496 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009576 tlogG= -0.007603 logG= -0.017178 Density= 0.137402 ETOT(band)= -0.000784 trlgG= -0.021024 logG= -0.017178 TDE= -0.133603 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009515 tlogG= -0.007581 logG= -0.017096 Density= 0.137987 ETOT(band)= 0.000768 trlgG= -0.019124 logG= -0.017096 TDE= -0.132337 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009593 tlogG= -0.006864 logG= -0.016457 Density= 0.138370 ETOT(band)= 0.000306 trlgG= -0.019330 logG= -0.016457 TDE= -0.133544 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009800 tlogG= -0.006683 logG= -0.016484 Density= 0.141214 ETOT(band)= 0.002292 trlgG= -0.017565 logG= -0.016484 TDE= -0.134438 logGD-logG0= -0.009872 tlogG= -0.007167 logG= -0.017039 Density= 0.148554 ETOT(band)= 0.009194 trlgG= -0.011464 logG= -0.017039 TDE= -0.134714 logGD-logG0= -0.009563 tlogG= -0.007525 logG= -0.017088 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137421 ETOT(band)= -0.000421 trlgG= -0.020543 logG= -0.017088 TDE= -0.133230 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009571 tlogG= -0.006735 logG= -0.016306 Density= 0.138186 ETOT(band)= 0.000606 trlgG= -0.018822 logG= -0.016306 TDE= -0.133013 logGD-logG0= -0.009808 tlogG= -0.007577 logG= -0.017385 Density= 0.150253 ETOT(band)= 0.011131 trlgG= -0.009902 logG= -0.017385 TDE= -0.134410 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004838 tlogG= -0.003228 logG= -0.008066 Density= 0.067997 ETOT(band)= -0.001287 trlgG= -0.010948 logG= -0.008066 TDE= -0.067096 logGD-logG0= -0.009647 tlogG= -0.006146 logG= -0.015794 Density= 0.138118 ETOT(band)= 0.000202 trlgG= -0.018768 logG= -0.015794 TDE= -0.133407 logGD-logG0= -0.009683 tlogG= -0.006523 logG= -0.016207 logGD-logG0= -0.004866 tlogG= -0.002702 logG= -0.007568 Density= 0.065447 ETOT(band)= -0.003032 trlgG= -0.012051 logG= -0.007568 TDE= -0.066289 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.139944 ETOT(band)= 0.002218 trlgG= -0.017089 logG= -0.016207 TDE= -0.133039 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009663 tlogG= -0.006332 logG= -0.015996 Density= 0.138600 ETOT(band)= 0.000665 trlgG= -0.018442 logG= -0.015996 TDE= -0.133334 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009544 tlogG= -0.007555 logG= -0.017100 Density= 0.137628 ETOT(band)= -0.000046 trlgG= -0.020094 logG= -0.017100 TDE= -0.132964 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009586 tlogG= -0.007064 logG= -0.016649 Density= 0.138067 ETOT(band)= -0.000073 trlgG= -0.019910 logG= -0.016649 TDE= -0.133645 logGD-logG0= -0.009598 tlogG= -0.007042 logG= -0.016639 logGD-logG0= -0.009602 tlogG= -0.006828 logG= -0.016430 Density= 0.138289 ETOT(band)= 0.000312 trlgG= -0.019334 logG= -0.016430 TDE= -0.133498 Density= 0.138849 ETOT(band)= 0.001148 trlgG= -0.018455 logG= -0.016639 TDE= -0.132939 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009674 tlogG= -0.005892 logG= -0.015566 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.134647 ETOT(band)= -0.003121 trlgG= -0.021832 logG= -0.015566 TDE= -0.133421 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009634 tlogG= -0.005826 logG= -0.015460 Density= 0.136948 ETOT(band)= -0.000430 trlgG= -0.019062 logG= -0.015460 TDE= -0.132930 logGD-logG0= -0.009550 tlogG= -0.006999 logG= -0.016549 Density= 0.139273 ETOT(band)= 0.002307 trlgG= -0.016989 logG= -0.016549 TDE= -0.131964 logGD-logG0= -0.009688 tlogG= -0.006258 logG= -0.015946 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136311 ETOT(band)= -0.001902 trlgG= -0.021069 logG= -0.015946 TDE= -0.133849 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009735 tlogG= -0.006684 logG= -0.016419 Density= 0.143114 ETOT(band)= 0.005583 trlgG= -0.014068 logG= -0.016419 TDE= -0.132800 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019626 tlogG= -0.013131 logG= -0.032757 Density= 0.282105 ETOT(band)= 0.003776 trlgG= -0.035828 logG= -0.032757 TDE= -0.269480 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019168 tlogG= -0.014135 logG= -0.033302 Density= 0.276288 ETOT(band)= 0.000455 trlgG= -0.039091 logG= -0.033302 TDE= -0.266704 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009830 tlogG= -0.006691 logG= -0.016521 logGD-logG0= -0.019264 tlogG= -0.012340 logG= -0.031604 Density= 0.278116 ETOT(band)= 0.002514 trlgG= -0.035579 logG= -0.031604 TDE= -0.266615 Density= 0.141289 ETOT(band)= 0.001848 trlgG= -0.018138 logG= -0.016521 TDE= -0.135044 logGD-logG0= -0.019383 tlogG= -0.011304 logG= -0.030687 Density= 0.271022 ETOT(band)= -0.004163 trlgG= -0.041084 logG= -0.030687 TDE= -0.266338 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019479 tlogG= -0.012390 logG= -0.031869 Density= 0.279923 ETOT(band)= 0.003826 trlgG= -0.034635 logG= -0.031869 TDE= -0.267113 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019277 tlogG= -0.012478 logG= -0.031755 Density= 0.278371 ETOT(band)= 0.002481 trlgG= -0.035806 logG= -0.031755 TDE= -0.266933 logGD-logG0= -0.019526 tlogG= -0.010640 logG= -0.030166 Density= 0.262194 ETOT(band)= -0.011728 trlgG= -0.047814 logG= -0.030166 TDE= -0.265253 logGD-logG0= -0.019274 tlogG= -0.012626 logG= -0.031900 Density= 0.278204 ETOT(band)= 0.002892 trlgG= -0.035340 logG= -0.031900 TDE= -0.266165 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019115 tlogG= -0.014170 logG= -0.033285 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.276868 ETOT(band)= 0.002167 trlgG= -0.036978 logG= -0.033285 TDE= -0.265156 logGD-logG0= -0.000393 tlogG= 0.008475 logG= 0.008082 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.005750 ETOT(band)= 0.000054 trlgG= 0.008023 logG= 0.008082 TDE= -0.005489 logGD-logG0= -0.019222 tlogG= -0.012684 logG= -0.031906 Density= 0.278819 ETOT(band)= 0.004678 trlgG= -0.033146 logG= -0.031906 TDE= -0.264545 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019399 tlogG= -0.012190 logG= -0.031589 Density= 0.271531 ETOT(band)= -0.004938 trlgG= -0.042977 logG= -0.031589 TDE= -0.267811 logGD-logG0= -0.009737 tlogG= -0.005185 logG= -0.014923 logGD-logG0= -0.019511 tlogG= -0.010782 logG= -0.030292 logGD-logG0= -0.019765 tlogG= -0.012913 logG= -0.032678 Density= 0.129324 ETOT(band)= -0.007542 trlgG= -0.025369 logG= -0.014923 TDE= -0.132575 logGD-logG0= -0.019387 tlogG= -0.011877 logG= -0.031264 Density= 0.274845 ETOT(band)= -0.000995 trlgG= -0.038518 logG= -0.031264 TDE= -0.266806 Density= 0.274045 ETOT(band)= -0.000858 trlgG= -0.037542 logG= -0.030292 TDE= -0.266046 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.289350 ETOT(band)= 0.012989 trlgG= -0.026470 logG= -0.032678 TDE= -0.267042 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009772 tlogG= -0.005348 logG= -0.015120 Density= 0.138141 ETOT(band)= 0.000376 trlgG= -0.017999 logG= -0.015120 TDE= -0.133333 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019558 tlogG= -0.012305 logG= -0.031863 Density= 0.278618 ETOT(band)= 0.001251 trlgG= -0.037245 logG= -0.031863 TDE= -0.268497 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009707 tlogG= -0.005727 logG= -0.015434 Density= 0.133767 ETOT(band)= -0.003941 trlgG= -0.022455 logG= -0.015434 TDE= -0.133345 logGD-logG0= -0.019213 tlogG= -0.012011 logG= -0.031225 Density= 0.276796 ETOT(band)= 0.002497 trlgG= -0.035023 logG= -0.031225 TDE= -0.265192 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004929 tlogG= -0.003586 logG= -0.008515 Density= 0.075165 ETOT(band)= 0.004963 trlgG= -0.005354 logG= -0.008515 TDE= -0.067821 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009899 tlogG= -0.006071 logG= -0.015970 Density= 0.143399 ETOT(band)= 0.005036 trlgG= -0.014317 logG= -0.015970 TDE= -0.133766 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019574 tlogG= -0.010546 logG= -0.030120 Density= 0.264738 ETOT(band)= -0.010092 trlgG= -0.046163 logG= -0.030120 TDE= -0.266051 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019479 tlogG= -0.010845 logG= -0.030324 Density= 0.270460 ETOT(band)= -0.003397 trlgG= -0.039759 logG= -0.030324 TDE= -0.264846 logGD-logG0= -0.019530 tlogG= -0.011522 logG= -0.031052 Density= 0.276404 ETOT(band)= 0.000442 trlgG= -0.037081 logG= -0.031052 TDE= -0.267054 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019476 tlogG= -0.011052 logG= -0.030529 Density= 0.271296 ETOT(band)= -0.004461 trlgG= -0.041087 logG= -0.030529 TDE= -0.266759 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009725 tlogG= -0.005357 logG= -0.015081 Density= 0.136319 ETOT(band)= -0.001416 trlgG= -0.019483 logG= -0.015081 TDE= -0.133136 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004865 tlogG= -0.002763 logG= -0.007627 Density= 0.068687 ETOT(band)= -0.000298 trlgG= -0.009483 logG= -0.007627 TDE= -0.066720 logGD-logG0= -0.009723 tlogG= -0.005734 logG= -0.015457 Density= 0.136110 ETOT(band)= -0.001936 trlgG= -0.020465 logG= -0.015457 TDE= -0.133545 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009738 tlogG= -0.005482 logG= -0.015221 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136568 ETOT(band)= -0.001266 trlgG= -0.019504 logG= -0.015221 TDE= -0.133252 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002468 tlogG= -0.001875 logG= -0.004343 Density= 0.037183 ETOT(band)= 0.002604 trlgG= -0.002611 logG= -0.004343 TDE= -0.033383 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002371 tlogG= -0.002387 logG= -0.004758 Density= 0.034982 ETOT(band)= 0.000807 trlgG= -0.004653 logG= -0.004758 TDE= -0.032931 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009529 tlogG= -0.007948 logG= -0.017477 logGD-logG0= -0.009569 tlogG= -0.007624 logG= -0.017193 Density= 0.139065 ETOT(band)= 0.002421 trlgG= -0.017679 logG= -0.017477 TDE= -0.131529 Density= 0.138206 ETOT(band)= 0.001299 trlgG= -0.018657 logG= -0.017193 TDE= -0.131980 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004758 tlogG= -0.004104 logG= -0.008862 Density= 0.070109 ETOT(band)= 0.001853 trlgG= -0.008381 logG= -0.008862 TDE= -0.065727 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002414 tlogG= -0.001997 logG= -0.004411 Density= 0.035785 ETOT(band)= 0.001535 trlgG= -0.003616 logG= -0.004411 TDE= -0.032999 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009794 tlogG= -0.007265 logG= -0.017059 Density= 0.144823 ETOT(band)= 0.007492 trlgG= -0.012707 logG= -0.017059 TDE= -0.132413 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009512 tlogG= -0.008167 logG= -0.017679 Density= 0.139309 ETOT(band)= 0.002782 trlgG= -0.017568 logG= -0.017679 TDE= -0.131446 logGD-logG0= -0.009539 tlogG= -0.008576 logG= -0.018115 Density= 0.141036 ETOT(band)= 0.004325 trlgG= -0.016638 logG= -0.018115 TDE= -0.131712 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009754 tlogG= -0.005530 logG= -0.015284 Density= 0.133364 ETOT(band)= -0.003111 trlgG= -0.021418 logG= -0.015284 TDE= -0.132077 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009587 tlogG= -0.007470 logG= -0.017056 Density= 0.140998 ETOT(band)= 0.004380 trlgG= -0.015553 logG= -0.017056 TDE= -0.131649 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009583 tlogG= -0.007064 logG= -0.016647 Density= 0.139665 ETOT(band)= 0.003323 trlgG= -0.016079 logG= -0.016647 TDE= -0.131327 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009626 tlogG= -0.006558 logG= -0.016184 logGD-logG0= -0.004849 tlogG= -0.002916 logG= -0.007764 Density= 0.138014 ETOT(band)= 0.001348 trlgG= -0.017902 logG= -0.016184 TDE= -0.132052 Density= 0.068436 ETOT(band)= 0.000396 trlgG= -0.008823 logG= -0.007764 TDE= -0.065686 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009624 tlogG= -0.007647 logG= -0.017271 logGD-logG0= -0.009479 tlogG= -0.009213 logG= -0.018692 Density= 0.140028 ETOT(band)= 0.003347 trlgG= -0.018100 logG= -0.018692 TDE= -0.131644 Density= 0.142385 ETOT(band)= 0.005592 trlgG= -0.014602 logG= -0.017271 TDE= -0.131794 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019066 tlogG= -0.016082 logG= -0.035148 Density= 0.280905 ETOT(band)= 0.007771 trlgG= -0.032889 logG= -0.035148 TDE= -0.263016 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009932 tlogG= -0.006752 logG= -0.016684 Density= 0.146111 ETOT(band)= 0.008347 trlgG= -0.011797 logG= -0.016684 TDE= -0.133094 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019366 tlogG= -0.013491 logG= -0.032857 Density= 0.284026 ETOT(band)= 0.010395 trlgG= -0.028520 logG= -0.032857 TDE= -0.263885 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009733 tlogG= -0.005315 logG= -0.015048 Density= 0.129104 ETOT(band)= -0.007030 trlgG= -0.024966 logG= -0.015048 TDE= -0.131839 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019175 tlogG= -0.014366 logG= -0.033540 Density= 0.278306 ETOT(band)= 0.005140 trlgG= -0.033855 logG= -0.033540 TDE= -0.263135 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009789 tlogG= -0.005819 logG= -0.015607 Density= 0.140263 ETOT(band)= 0.003461 trlgG= -0.015337 logG= -0.015607 TDE= -0.132188 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019340 tlogG= -0.012044 logG= -0.031385 Density= 0.277106 ETOT(band)= 0.004329 trlgG= -0.032991 logG= -0.031385 TDE= -0.263294 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009614 tlogG= -0.006816 logG= -0.016430 Density= 0.140831 ETOT(band)= 0.004465 trlgG= -0.014902 logG= -0.016430 TDE= -0.131468 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003179 tlogG= 0.068615 logG= 0.065436 Density= 0.046457 ETOT(band)= 0.000913 trlgG= 0.065466 logG= 0.065436 TDE= -0.043841 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003147 tlogG= 0.067928 logG= 0.064781 Density= 0.046097 ETOT(band)= 0.000542 trlgG= 0.064405 logG= 0.064781 TDE= -0.043908 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003160 tlogG= 0.068217 logG= 0.065057 Density= 0.046406 ETOT(band)= 0.000829 trlgG= 0.064990 logG= 0.065057 TDE= -0.043891 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009511 tlogG= 0.205382 logG= 0.195870 Density= 0.139599 ETOT(band)= 0.002973 trlgG= 0.196098 logG= 0.195870 TDE= -0.131604 logGD-logG0= -0.009533 tlogG= 0.205745 logG= 0.196212 Density= 0.139875 ETOT(band)= 0.003226 trlgG= 0.196719 logG= 0.196212 TDE= -0.131585 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004728 tlogG= 0.102151 logG= 0.097423 logGD-logG0= -0.002361 tlogG= 0.050966 logG= 0.048605 Density= 0.069469 ETOT(band)= 0.001108 trlgG= 0.097173 logG= 0.097423 TDE= -0.065853 Density= 0.034628 ETOT(band)= 0.000451 trlgG= 0.048373 logG= 0.048605 TDE= -0.032933 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009474 tlogG= 0.204676 logG= 0.195202 Density= 0.139168 ETOT(band)= 0.002506 trlgG= 0.194934 logG= 0.195202 TDE= -0.131693 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 3.18875366422965 eV TrLogG= -13.3441629089716 eV Ratio to renormalize= 0.999999999749 rho-rho_expected= 0.000000004009 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 30) Finished k-point number 31 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 64) Finished k-point number 65 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 58) Finished k-point number 59 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 91) Finished k-point number 92 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 89) Finished k-point number 90 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 69) Finished k-point number 70 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.933050171872637 0.929880086809584 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 19) Finished k-point number 20 1 with #bands= 26 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 75) Finished k-point number 76 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 12.8486484011025 Density= 16.0069532316983 16.0000000000000 EF 12.5765345689889 Density= 15.4419029656321 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.94435832 0.92435832 0.695323E-02 -0.558097 1 0.94411221 0.92435832 0.697467E-03 -0.558097 2 0.94408481 0.94411221 -0.174169E-06 0.697467E-03 3 0.94408482 0.94408481 0.262297E-10 -0.174169E-06 Absolute convergence of |F(X)|. Difference in EF= -0.0037212709 EF set to : 12.8449271302 new EF (no-mixing): 12.8449271302 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001222 tlogG= -0.001248 logG= -0.002470 Density= 0.019124 ETOT(band)= 0.001257 trlgG= -0.001655 logG= -0.002470 TDE= -0.017239 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002436 tlogG= -0.002403 logG= -0.004839 Density= 0.038200 ETOT(band)= 0.002609 trlgG= -0.003118 logG= -0.004839 TDE= -0.034343 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009752 tlogG= -0.009528 logG= -0.019280 Density= 0.152881 ETOT(band)= 0.010299 trlgG= -0.012520 logG= -0.019280 TDE= -0.137573 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004873 tlogG= -0.004617 logG= -0.009490 Density= 0.076417 ETOT(band)= 0.005233 trlgG= -0.006030 logG= -0.009490 TDE= -0.068684 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002440 tlogG= -0.002081 logG= -0.004521 Density= 0.037839 ETOT(band)= 0.002738 trlgG= -0.002726 logG= -0.004521 TDE= -0.033928 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009780 tlogG= -0.008070 logG= -0.017850 Density= 0.151881 ETOT(band)= 0.010830 trlgG= -0.010700 logG= -0.017850 TDE= -0.136239 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009782 tlogG= -0.008673 logG= -0.018455 logGD-logG0= -0.009772 tlogG= -0.006805 logG= -0.016577 Density= 0.141849 ETOT(band)= 0.002212 trlgG= -0.017834 logG= -0.016577 TDE= -0.135174 Density= 0.152107 ETOT(band)= 0.010932 trlgG= -0.011216 logG= -0.018455 TDE= -0.136363 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004891 tlogG= -0.004196 logG= -0.009087 Density= 0.076129 ETOT(band)= 0.005324 trlgG= -0.005607 logG= -0.009087 TDE= -0.068393 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009760 tlogG= -0.007813 logG= -0.017573 Density= 0.151296 ETOT(band)= 0.011298 trlgG= -0.009932 logG= -0.017573 TDE= -0.135195 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009793 tlogG= -0.008805 logG= -0.018598 Density= 0.152467 ETOT(band)= 0.010832 trlgG= -0.011411 logG= -0.018598 TDE= -0.136754 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001599 tlogG= -0.001359 logG= -0.002957 Density= 0.022919 ETOT(band)= -0.000192 trlgG= -0.003630 logG= -0.002957 TDE= -0.022311 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.019559 tlogG= -0.015914 logG= -0.035473 Density= 0.303869 ETOT(band)= 0.021539 trlgG= -0.021298 logG= -0.035473 TDE= -0.272703 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019557 tlogG= -0.014805 logG= -0.034362 Density= 0.301521 ETOT(band)= 0.021292 trlgG= -0.020250 logG= -0.034362 TDE= -0.270549 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009814 tlogG= -0.006655 logG= -0.016469 Density= 0.147685 ETOT(band)= 0.007951 trlgG= -0.012091 logG= -0.016469 TDE= -0.135049 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003174 tlogG= -0.002632 logG= -0.005807 Density= 0.045870 ETOT(band)= -0.000004 trlgG= -0.006741 logG= -0.005807 TDE= -0.044240 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003150 tlogG= -0.002675 logG= -0.005824 Density= 0.046098 ETOT(band)= 0.000460 trlgG= -0.006223 logG= -0.005824 TDE= -0.043920 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003189 tlogG= -0.002610 logG= -0.005799 Density= 0.045673 ETOT(band)= -0.000372 trlgG= -0.007174 logG= -0.005799 TDE= -0.044495 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009583 tlogG= -0.007693 logG= -0.017276 Density= 0.137532 ETOT(band)= -0.000879 trlgG= -0.021196 logG= -0.017276 TDE= -0.133761 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009576 tlogG= -0.007606 logG= -0.017182 Density= 0.137417 ETOT(band)= -0.000808 trlgG= -0.021047 logG= -0.017182 TDE= -0.133599 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009563 tlogG= -0.007527 logG= -0.017090 Density= 0.137437 ETOT(band)= -0.000444 trlgG= -0.020563 logG= -0.017090 TDE= -0.133226 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009593 tlogG= -0.006869 logG= -0.016463 Density= 0.138381 ETOT(band)= 0.000278 trlgG= -0.019358 logG= -0.016463 TDE= -0.133538 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009799 tlogG= -0.006684 logG= -0.016483 Density= 0.141193 ETOT(band)= 0.002236 trlgG= -0.017614 logG= -0.016483 TDE= -0.134430 logGD-logG0= -0.004838 tlogG= -0.003229 logG= -0.008067 logGD-logG0= -0.009571 tlogG= -0.006738 logG= -0.016309 Density= 0.138197 ETOT(band)= 0.000578 trlgG= -0.018847 logG= -0.016309 TDE= -0.133009 Density= 0.068006 ETOT(band)= -0.001298 trlgG= -0.010957 logG= -0.008067 TDE= -0.067094 logGD-logG0= -0.009871 tlogG= -0.007167 logG= -0.017039 Density= 0.148567 ETOT(band)= 0.009168 trlgG= -0.011484 logG= -0.017039 TDE= -0.134705 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009602 tlogG= -0.006829 logG= -0.016431 Density= 0.138299 ETOT(band)= 0.000283 trlgG= -0.019358 logG= -0.016431 TDE= -0.133493 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009807 tlogG= -0.007576 logG= -0.017383 Density= 0.150274 ETOT(band)= 0.011113 trlgG= -0.009913 logG= -0.017383 TDE= -0.134402 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009683 tlogG= -0.006527 logG= -0.016210 Density= 0.139942 ETOT(band)= 0.002180 trlgG= -0.017125 logG= -0.016210 TDE= -0.133033 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009545 tlogG= -0.007560 logG= -0.017104 Density= 0.137642 ETOT(band)= -0.000071 trlgG= -0.020119 logG= -0.017104 TDE= -0.132960 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009735 tlogG= -0.006685 logG= -0.016420 Density= 0.143107 ETOT(band)= 0.005539 trlgG= -0.014109 logG= -0.016420 TDE= -0.132793 logGD-logG0= -0.009550 tlogG= -0.007002 logG= -0.016552 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.139281 ETOT(band)= 0.002275 trlgG= -0.017019 logG= -0.016552 TDE= -0.131960 logGD-logG0= -0.004865 tlogG= -0.002705 logG= -0.007570 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.065458 ETOT(band)= -0.003040 trlgG= -0.012059 logG= -0.007570 TDE= -0.066287 logGD-logG0= -0.009674 tlogG= -0.005899 logG= -0.015572 Density= 0.134667 ETOT(band)= -0.003140 trlgG= -0.021852 logG= -0.015572 TDE= -0.133416 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009664 tlogG= -0.006336 logG= -0.016000 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138602 ETOT(band)= 0.000631 trlgG= -0.018476 logG= -0.016000 TDE= -0.133328 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009688 tlogG= -0.006264 logG= -0.015952 Density= 0.136326 ETOT(band)= -0.001924 trlgG= -0.021092 logG= -0.015952 TDE= -0.133844 logGD-logG0= -0.009597 tlogG= -0.007046 logG= -0.016643 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138858 ETOT(band)= 0.001118 trlgG= -0.018484 logG= -0.016643 TDE= -0.132934 logGD-logG0= -0.009585 tlogG= -0.007068 logG= -0.016653 Density= 0.138077 ETOT(band)= -0.000102 trlgG= -0.019936 logG= -0.016653 TDE= -0.133640 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009515 tlogG= -0.007585 logG= -0.017100 logGD-logG0= -0.009635 tlogG= -0.005831 logG= -0.015466 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136951 ETOT(band)= -0.000463 trlgG= -0.019098 logG= -0.015466 TDE= -0.132925 Density= 0.138001 ETOT(band)= 0.000743 trlgG= -0.019149 logG= -0.017100 TDE= -0.132333 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009647 tlogG= -0.006149 logG= -0.015796 Density= 0.138123 ETOT(band)= 0.000170 trlgG= -0.018798 logG= -0.015796 TDE= -0.133401 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019623 tlogG= -0.013136 logG= -0.032759 Density= 0.282053 ETOT(band)= 0.003655 trlgG= -0.035941 logG= -0.032759 TDE= -0.269464 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019166 tlogG= -0.014137 logG= -0.033303 Density= 0.276311 ETOT(band)= 0.000399 trlgG= -0.039136 logG= -0.033303 TDE= -0.266694 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019383 tlogG= -0.011311 logG= -0.030694 Density= 0.271024 ETOT(band)= -0.004235 trlgG= -0.041152 logG= -0.030694 TDE= -0.266328 logGD-logG0= -0.009828 tlogG= -0.006694 logG= -0.016521 Density= 0.141257 ETOT(band)= 0.001782 trlgG= -0.018199 logG= -0.016521 TDE= -0.135036 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019261 tlogG= -0.012338 logG= -0.031599 Density= 0.278119 ETOT(band)= 0.002441 trlgG= -0.035635 logG= -0.031599 TDE= -0.266604 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019479 tlogG= -0.012397 logG= -0.031875 Density= 0.279902 ETOT(band)= 0.003733 trlgG= -0.034724 logG= -0.031875 TDE= -0.267100 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019274 tlogG= -0.012632 logG= -0.031906 logGD-logG0= -0.019386 tlogG= -0.011883 logG= -0.031269 Density= 0.274849 ETOT(band)= -0.001066 trlgG= -0.038583 logG= -0.031269 TDE= -0.266795 Density= 0.278211 ETOT(band)= 0.002824 trlgG= -0.035405 logG= -0.031906 TDE= -0.266154 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019529 tlogG= -0.010654 logG= -0.030182 Density= 0.262163 ETOT(band)= -0.011827 trlgG= -0.047922 logG= -0.030182 TDE= -0.265244 logGD-logG0= -0.019222 tlogG= -0.012687 logG= -0.031908 Density= 0.278825 ETOT(band)= 0.004608 trlgG= -0.033209 logG= -0.031908 TDE= -0.264534 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019276 tlogG= -0.012488 logG= -0.031764 Density= 0.278374 ETOT(band)= 0.002409 trlgG= -0.035876 logG= -0.031764 TDE= -0.266921 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019114 tlogG= -0.014177 logG= -0.033291 Density= 0.276891 ETOT(band)= 0.002111 trlgG= -0.037031 logG= -0.033291 TDE= -0.265147 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000393 tlogG= 0.008472 logG= 0.008079 Density= 0.005750 ETOT(band)= 0.000053 trlgG= 0.008019 logG= 0.008079 TDE= -0.005489 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019398 tlogG= -0.012197 logG= -0.031596 Density= 0.271566 ETOT(band)= -0.004981 trlgG= -0.043016 logG= -0.031596 TDE= -0.267802 logGD-logG0= -0.019512 tlogG= -0.010784 logG= -0.030297 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.273909 ETOT(band)= -0.001060 trlgG= -0.037738 logG= -0.030297 TDE= -0.266034 logGD-logG0= -0.019763 tlogG= -0.012918 logG= -0.032681 Density= 0.289324 ETOT(band)= 0.012890 trlgG= -0.026562 logG= -0.032681 TDE= -0.267027 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019213 tlogG= -0.012017 logG= -0.031230 Density= 0.276799 ETOT(band)= 0.002425 trlgG= -0.035091 logG= -0.031230 TDE= -0.265182 logGD-logG0= -0.004929 tlogG= -0.003586 logG= -0.008515 logGD-logG0= -0.019556 tlogG= -0.012311 logG= -0.031867 Density= 0.278600 ETOT(band)= 0.001160 trlgG= -0.037328 logG= -0.031867 TDE= -0.268483 Density= 0.075170 ETOT(band)= 0.004949 trlgG= -0.005365 logG= -0.008515 TDE= -0.067817 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009706 tlogG= -0.005727 logG= -0.015433 Density= 0.133773 ETOT(band)= -0.003974 trlgG= -0.022480 logG= -0.015433 TDE= -0.133341 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009737 tlogG= -0.005191 logG= -0.014928 Density= 0.129297 ETOT(band)= -0.007604 trlgG= -0.025431 logG= -0.014928 TDE= -0.132570 logGD-logG0= -0.009773 tlogG= -0.005350 logG= -0.015123 Density= 0.138090 ETOT(band)= 0.000293 trlgG= -0.018082 logG= -0.015123 TDE= -0.133327 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019573 tlogG= -0.010551 logG= -0.030124 Density= 0.264683 ETOT(band)= -0.010220 trlgG= -0.046283 logG= -0.030124 TDE= -0.266041 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019528 tlogG= -0.011528 logG= -0.031057 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.276376 ETOT(band)= 0.000341 trlgG= -0.037176 logG= -0.031057 TDE= -0.267041 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009898 tlogG= -0.006073 logG= -0.015971 Density= 0.143380 ETOT(band)= 0.004982 trlgG= -0.014367 logG= -0.015971 TDE= -0.133759 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019480 tlogG= -0.010852 logG= -0.030332 Density= 0.270376 ETOT(band)= -0.003548 trlgG= -0.039909 logG= -0.030332 TDE= -0.264835 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019476 tlogG= -0.011060 logG= -0.030536 Density= 0.271277 ETOT(band)= -0.004554 trlgG= -0.041177 logG= -0.030536 TDE= -0.266749 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009721 tlogG= -0.005734 logG= -0.015454 Density= 0.136121 ETOT(band)= -0.001966 trlgG= -0.020485 logG= -0.015454 TDE= -0.133540 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009738 tlogG= -0.005486 logG= -0.015224 Density= 0.136562 ETOT(band)= -0.001309 trlgG= -0.019545 logG= -0.015224 TDE= -0.133247 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004865 tlogG= -0.002764 logG= -0.007629 Density= 0.068689 ETOT(band)= -0.000314 trlgG= -0.009498 logG= -0.007629 TDE= -0.066717 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009724 tlogG= -0.005359 logG= -0.015084 Density= 0.136315 ETOT(band)= -0.001458 trlgG= -0.019522 logG= -0.015084 TDE= -0.133131 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002468 tlogG= -0.001874 logG= -0.004343 Density= 0.037186 ETOT(band)= 0.002597 trlgG= -0.002617 logG= -0.004343 TDE= -0.033381 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002371 tlogG= -0.002387 logG= -0.004759 Density= 0.034985 ETOT(band)= 0.000799 trlgG= -0.004660 logG= -0.004759 TDE= -0.032930 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009569 tlogG= -0.007627 logG= -0.017197 Density= 0.138221 ETOT(band)= 0.001274 trlgG= -0.018682 logG= -0.017197 TDE= -0.131977 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009529 tlogG= -0.007951 logG= -0.017480 Density= 0.139076 ETOT(band)= 0.002392 trlgG= -0.017707 logG= -0.017480 TDE= -0.131525 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009793 tlogG= -0.007266 logG= -0.017059 Density= 0.144818 ETOT(band)= 0.007450 trlgG= -0.012745 logG= -0.017059 TDE= -0.132406 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004758 tlogG= -0.004105 logG= -0.008863 Density= 0.070113 ETOT(band)= 0.001838 trlgG= -0.008395 logG= -0.008863 TDE= -0.065725 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002414 tlogG= -0.001997 logG= -0.004411 Density= 0.035784 ETOT(band)= 0.001525 trlgG= -0.003625 logG= -0.004411 TDE= -0.032998 logGD-logG0= -0.009538 tlogG= -0.008577 logG= -0.018116 Density= 0.141041 ETOT(band)= 0.004291 trlgG= -0.016668 logG= -0.018116 TDE= -0.131707 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009587 tlogG= -0.007472 logG= -0.017060 Density= 0.140999 ETOT(band)= 0.004344 trlgG= -0.015588 logG= -0.017060 TDE= -0.131644 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009512 tlogG= -0.008171 logG= -0.017683 Density= 0.139319 ETOT(band)= 0.002752 trlgG= -0.017596 logG= -0.017683 TDE= -0.131442 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009583 tlogG= -0.007066 logG= -0.016648 Density= 0.139673 ETOT(band)= 0.003291 trlgG= -0.016108 logG= -0.016648 TDE= -0.131322 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019067 tlogG= -0.016087 logG= -0.035154 Density= 0.280917 ETOT(band)= 0.007705 trlgG= -0.032950 logG= -0.035154 TDE= -0.263006 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009754 tlogG= -0.005534 logG= -0.015288 Density= 0.133346 ETOT(band)= -0.003166 trlgG= -0.021471 logG= -0.015288 TDE= -0.132073 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004848 tlogG= -0.002916 logG= -0.007765 Density= 0.068425 ETOT(band)= 0.000367 trlgG= -0.008850 logG= -0.007765 TDE= -0.065684 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009480 tlogG= -0.009215 logG= -0.018695 Density= 0.140037 ETOT(band)= 0.003316 trlgG= -0.018129 logG= -0.018695 TDE= -0.131640 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019366 tlogG= -0.013497 logG= -0.032863 logGD-logG0= -0.009931 tlogG= -0.006752 logG= -0.016684 Density= 0.146109 ETOT(band)= 0.008308 trlgG= -0.011831 logG= -0.016684 TDE= -0.133087 Density= 0.284011 ETOT(band)= 0.010307 trlgG= -0.028605 logG= -0.032863 TDE= -0.263873 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009624 tlogG= -0.007649 logG= -0.017272 Density= 0.142383 ETOT(band)= 0.005553 trlgG= -0.014638 logG= -0.017272 TDE= -0.131788 logGD-logG0= -0.009626 tlogG= -0.006560 logG= -0.016186 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.138026 ETOT(band)= 0.001320 trlgG= -0.017926 logG= -0.016186 TDE= -0.132048 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009731 tlogG= -0.005322 logG= -0.015053 Density= 0.129070 ETOT(band)= -0.007098 trlgG= -0.025035 logG= -0.015053 TDE= -0.131835 logGD-logG0= -0.009788 tlogG= -0.005820 logG= -0.015609 Density= 0.140237 ETOT(band)= 0.003400 trlgG= -0.015395 logG= -0.015609 TDE= -0.132182 logGD-logG0= -0.009615 tlogG= -0.006815 logG= -0.016429 Density= 0.140835 ETOT(band)= 0.004432 trlgG= -0.014932 logG= -0.016429 TDE= -0.131463 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019174 tlogG= -0.014360 logG= -0.033533 Density= 0.278329 ETOT(band)= 0.005085 trlgG= -0.033895 logG= -0.033533 TDE= -0.263128 logGD-logG0= -0.019340 tlogG= -0.012049 logG= -0.031390 Density= 0.277109 ETOT(band)= 0.004256 trlgG= -0.033060 logG= -0.031390 TDE= -0.263285 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002361 tlogG= 0.050950 logG= 0.048588 Density= 0.034632 ETOT(band)= 0.000444 trlgG= 0.048351 logG= 0.048588 TDE= -0.032933 logGD-logG0= -0.003179 tlogG= 0.068594 logG= 0.065415 logGD-logG0= -0.003147 tlogG= 0.067906 logG= 0.064759 Density= 0.046102 ETOT(band)= 0.000534 trlgG= 0.064375 logG= 0.064759 TDE= -0.043907 Density= 0.046460 ETOT(band)= 0.000903 trlgG= 0.065438 logG= 0.065415 TDE= -0.043840 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003160 tlogG= 0.068196 logG= 0.065036 Density= 0.046410 ETOT(band)= 0.000819 trlgG= 0.064961 logG= 0.065036 TDE= -0.043890 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009533 tlogG= 0.205680 logG= 0.196147 Density= 0.139884 ETOT(band)= 0.003195 trlgG= 0.196628 logG= 0.196147 TDE= -0.131581 logGD-logG0= -0.004728 tlogG= 0.102119 logG= 0.097391 Density= 0.069475 ETOT(band)= 0.001094 trlgG= 0.097129 logG= 0.097391 TDE= -0.065852 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009474 tlogG= 0.204611 logG= 0.195138 Density= 0.139180 ETOT(band)= 0.002477 trlgG= 0.194846 logG= 0.195138 TDE= -0.131689 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009512 tlogG= 0.205315 logG= 0.195803 Density= 0.139610 ETOT(band)= 0.002944 trlgG= 0.196006 logG= 0.195803 TDE= -0.131600 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 3.13022476269992 eV TrLogG= -13.4019937662891 eV Ratio to renormalize= 0.999999999748 rho-rho_expected= 0.000000004030 nargs= 1 argi=dmft2.def 4) Finished k-point number 5 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 83) Finished k-point number 84 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 95) Finished k-point number 96 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 19) Finished k-point number 20 1 with #bands= 26 92) Finished k-point number 93 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 30) Finished k-point number 31 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 56) Finished k-point number 57 1 with #bands= 18 55) Finished k-point number 56 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 75) Finished k-point number 76 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 77) Finished k-point number 78 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.932835427425098 0.929643434611411 7) Finished k-point number 8 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 9) Finished k-point number 10 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 45) Finished k-point number 46 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 69) Finished k-point number 70 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 12.8449271302267 Density= 15.9792954849580 16.0000000000000 EF 13.1170409623403 Density= 16.4636540022024 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96408481 0.94408482 0.463654 -0.207045E-01 1 0.95408481 0.94408483 0.225423 -0.207045E-01 2 0.94908482 0.94408506 0.104655 -0.207045E-01 3 0.94658494 0.94408471 0.427610E-01 -0.207045E-01 4 0.94533483 0.94408489 0.112416E-01 -0.207045E-01 5 0.94489304 0.94408489 0.158737E-05 -0.207045E-01 6 0.94489298 0.94408489 0.644640E-10 -0.207045E-01 Absolute convergence of |F(X)|. Difference in EF= 0.0109956014 EF set to : 12.8559227316 new EF (no-mixing): 12.8559227316 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001222 tlogG= -0.001248 logG= -0.002471 Density= 0.019116 ETOT(band)= 0.001263 trlgG= -0.001651 logG= -0.002471 TDE= -0.017243 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002437 tlogG= -0.002403 logG= -0.004840 Density= 0.038183 ETOT(band)= 0.002622 trlgG= -0.003111 logG= -0.004840 TDE= -0.034350 logGD-logG0= -0.009755 tlogG= -0.009529 logG= -0.019283 Density= 0.152816 ETOT(band)= 0.010350 trlgG= -0.012493 logG= -0.019283 TDE= -0.137604 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004874 tlogG= -0.004618 logG= -0.009492 Density= 0.076384 ETOT(band)= 0.005257 trlgG= -0.006016 logG= -0.009492 TDE= -0.068699 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002441 tlogG= -0.002081 logG= -0.004522 Density= 0.037820 ETOT(band)= 0.002747 trlgG= -0.002722 logG= -0.004522 TDE= -0.033935 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001599 tlogG= -0.001357 logG= -0.002955 Density= 0.022912 ETOT(band)= -0.000181 trlgG= -0.003619 logG= -0.002955 TDE= -0.022312 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009783 tlogG= -0.008070 logG= -0.017853 Density= 0.151812 ETOT(band)= 0.010876 trlgG= -0.010674 logG= -0.017853 TDE= -0.136267 logGD-logG0= -0.004893 tlogG= -0.004197 logG= -0.009089 Density= 0.076095 ETOT(band)= 0.005348 trlgG= -0.005595 logG= -0.009089 TDE= -0.068407 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009778 tlogG= -0.006799 logG= -0.016576 Density= 0.141957 ETOT(band)= 0.002419 trlgG= -0.017641 logG= -0.016576 TDE= -0.135199 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009784 tlogG= -0.008674 logG= -0.018459 Density= 0.152036 ETOT(band)= 0.010976 trlgG= -0.011193 logG= -0.018459 TDE= -0.136392 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009796 tlogG= -0.008806 logG= -0.018602 Density= 0.152400 ETOT(band)= 0.010880 trlgG= -0.011384 logG= -0.018602 TDE= -0.136783 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009762 tlogG= -0.007814 logG= -0.017576 Density= 0.151226 ETOT(band)= 0.011342 trlgG= -0.009905 logG= -0.017576 TDE= -0.135222 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019561 tlogG= -0.014805 logG= -0.034367 Density= 0.301408 ETOT(band)= 0.021407 trlgG= -0.020170 logG= -0.034367 TDE= -0.270602 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019564 tlogG= -0.015917 logG= -0.035481 Density= 0.303733 ETOT(band)= 0.021632 trlgG= -0.021247 logG= -0.035481 TDE= -0.272760 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009815 tlogG= -0.006656 logG= -0.016471 Density= 0.147694 ETOT(band)= 0.008068 trlgG= -0.011990 logG= -0.016471 TDE= -0.135074 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003150 tlogG= -0.002672 logG= -0.005822 Density= 0.046085 ETOT(band)= 0.000486 trlgG= -0.006200 logG= -0.005822 TDE= -0.043923 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003190 tlogG= -0.002606 logG= -0.005796 Density= 0.045657 ETOT(band)= -0.000350 trlgG= -0.007153 logG= -0.005796 TDE= -0.044498 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003175 tlogG= -0.002629 logG= -0.005803 Density= 0.045855 ETOT(band)= 0.000020 trlgG= -0.006718 logG= -0.005803 TDE= -0.044243 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009585 tlogG= -0.007687 logG= -0.017272 Density= 0.137489 ETOT(band)= -0.000805 trlgG= -0.021134 logG= -0.017272 TDE= -0.133774 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009576 tlogG= -0.007596 logG= -0.017173 Density= 0.137372 ETOT(band)= -0.000738 trlgG= -0.020982 logG= -0.017173 TDE= -0.133612 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009563 tlogG= -0.007520 logG= -0.017084 Density= 0.137392 ETOT(band)= -0.000374 trlgG= -0.020500 logG= -0.017084 TDE= -0.133238 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009594 tlogG= -0.006859 logG= -0.016453 Density= 0.138350 ETOT(band)= 0.000360 trlgG= -0.019281 logG= -0.016453 TDE= -0.133554 logGD-logG0= -0.009809 tlogG= -0.007577 logG= -0.017386 Density= 0.150211 ETOT(band)= 0.011164 trlgG= -0.009880 logG= -0.017386 TDE= -0.134427 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009803 tlogG= -0.006676 logG= -0.016479 Density= 0.141259 ETOT(band)= 0.002406 trlgG= -0.017456 logG= -0.016479 TDE= -0.134453 logGD-logG0= -0.009873 tlogG= -0.007169 logG= -0.017042 Density= 0.148539 ETOT(band)= 0.009252 trlgG= -0.011419 logG= -0.017042 TDE= -0.134730 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004839 tlogG= -0.003225 logG= -0.008064 Density= 0.067981 ETOT(band)= -0.001265 trlgG= -0.010930 logG= -0.008064 TDE= -0.067101 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009603 tlogG= -0.006822 logG= -0.016424 logGD-logG0= -0.009516 tlogG= -0.007575 logG= -0.017091 Density= 0.138270 ETOT(band)= 0.000367 trlgG= -0.019283 logG= -0.016424 TDE= -0.133509 Density= 0.137960 ETOT(band)= 0.000819 trlgG= -0.019077 logG= -0.017091 TDE= -0.132344 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009572 tlogG= -0.006731 logG= -0.016303 logGD-logG0= -0.009684 tlogG= -0.006518 logG= -0.016202 Density= 0.138164 ETOT(band)= 0.000660 trlgG= -0.018775 logG= -0.016303 TDE= -0.133023 Density= 0.139950 ETOT(band)= 0.002297 trlgG= -0.017016 logG= -0.016202 TDE= -0.133051 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009598 tlogG= -0.007036 logG= -0.016633 Density= 0.138832 ETOT(band)= 0.001206 trlgG= -0.018401 logG= -0.016633 TDE= -0.132949 logGD-logG0= -0.009689 tlogG= -0.006255 logG= -0.015944 logGD-logG0= -0.009545 tlogG= -0.007551 logG= -0.017096 Density= 0.137599 ETOT(band)= 0.000002 trlgG= -0.020052 logG= -0.017096 TDE= -0.132972 Density= 0.136289 ETOT(band)= -0.001849 trlgG= -0.021025 logG= -0.015944 TDE= -0.133859 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004865 tlogG= -0.002699 logG= -0.007564 Density= 0.065460 ETOT(band)= -0.002984 trlgG= -0.012005 logG= -0.007564 TDE= -0.066293 logGD-logG0= -0.009648 tlogG= -0.006138 logG= -0.015786 Density= 0.138110 ETOT(band)= 0.000268 trlgG= -0.018705 logG= -0.015786 TDE= -0.133418 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009551 tlogG= -0.006994 logG= -0.016545 logGD-logG0= -0.009736 tlogG= -0.006682 logG= -0.016418 Density= 0.139259 ETOT(band)= 0.002368 trlgG= -0.016932 logG= -0.016545 TDE= -0.131973 Density= 0.143131 ETOT(band)= 0.005669 trlgG= -0.013989 logG= -0.016418 TDE= -0.132814 logGD-logG0= -0.009586 tlogG= -0.007060 logG= -0.016646 Density= 0.138042 ETOT(band)= -0.000023 trlgG= -0.019866 logG= -0.016646 TDE= -0.133655 logGD-logG0= -0.009664 tlogG= -0.006328 logG= -0.015992 Density= 0.138594 ETOT(band)= 0.000733 trlgG= -0.018381 logG= -0.015992 TDE= -0.133346 logGD-logG0= -0.009675 tlogG= -0.005886 logG= -0.015561 Density= 0.134619 ETOT(band)= -0.003075 trlgG= -0.021790 logG= -0.015561 TDE= -0.133430 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009636 tlogG= -0.005823 logG= -0.015458 Density= 0.136943 ETOT(band)= -0.000359 trlgG= -0.019001 logG= -0.015458 TDE= -0.132940 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019632 tlogG= -0.013122 logG= -0.032754 Density= 0.282213 ETOT(band)= 0.004019 trlgG= -0.035603 logG= -0.032754 TDE= -0.269510 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019167 tlogG= -0.014119 logG= -0.033286 Density= 0.276244 ETOT(band)= 0.000559 trlgG= -0.038989 logG= -0.033286 TDE= -0.266724 logGD-logG0= -0.019264 tlogG= -0.012325 logG= -0.031589 Density= 0.278101 ETOT(band)= 0.002644 trlgG= -0.035451 logG= -0.031589 TDE= -0.266638 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019384 tlogG= -0.011292 logG= -0.030676 Density= 0.271034 ETOT(band)= -0.004006 trlgG= -0.040937 logG= -0.030676 TDE= -0.266359 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009833 tlogG= -0.006686 logG= -0.016519 Density= 0.141353 ETOT(band)= 0.001979 trlgG= -0.018016 logG= -0.016519 TDE= -0.135061 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019275 tlogG= -0.012617 logG= -0.031892 Density= 0.278190 ETOT(band)= 0.003024 trlgG= -0.035221 logG= -0.031892 TDE= -0.266188 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019484 tlogG= -0.012387 logG= -0.031870 Density= 0.279958 ETOT(band)= 0.004002 trlgG= -0.034479 logG= -0.031870 TDE= -0.267140 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019527 tlogG= -0.010628 logG= -0.030155 Density= 0.262282 ETOT(band)= -0.011501 trlgG= -0.047598 logG= -0.030155 TDE= -0.265272 logGD-logG0= -0.019221 tlogG= -0.012673 logG= -0.031894 Density= 0.278814 ETOT(band)= 0.004818 trlgG= -0.033010 logG= -0.031894 TDE= -0.264566 logGD-logG0= -0.019389 tlogG= -0.011867 logG= -0.031256 logGD-logG0= -0.000393 tlogG= 0.008480 logG= 0.008087 Density= 0.274842 ETOT(band)= -0.000852 trlgG= -0.038388 logG= -0.031256 TDE= -0.266828 logGD-logG0= -0.019512 tlogG= -0.010765 logG= -0.030277 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.274205 ETOT(band)= -0.000565 trlgG= -0.037252 logG= -0.030277 TDE= -0.266070 Density= 0.005748 ETOT(band)= 0.000056 trlgG= 0.008030 logG= 0.008087 TDE= -0.005489 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019115 tlogG= -0.014163 logG= -0.033278 Density= 0.276821 ETOT(band)= 0.002272 trlgG= -0.036885 logG= -0.033278 TDE= -0.265173 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019477 tlogG= -0.010835 logG= -0.030311 Density= 0.270653 ETOT(band)= -0.003073 trlgG= -0.039441 logG= -0.030311 TDE= -0.264868 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019770 tlogG= -0.012909 logG= -0.032679 Density= 0.289389 ETOT(band)= 0.013169 trlgG= -0.026309 logG= -0.032679 TDE= -0.267071 logGD-logG0= -0.019279 tlogG= -0.012467 logG= -0.031746 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278362 ETOT(band)= 0.002617 trlgG= -0.035681 logG= -0.031746 TDE= -0.266957 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019401 tlogG= -0.012177 logG= -0.031579 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.271476 ETOT(band)= -0.004845 trlgG= -0.042894 logG= -0.031579 TDE= -0.267831 logGD-logG0= -0.019215 tlogG= -0.012002 logG= -0.031217 Density= 0.276779 ETOT(band)= 0.002629 trlgG= -0.034903 logG= -0.031217 TDE= -0.265213 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009773 tlogG= -0.005343 logG= -0.015117 Density= 0.138243 ETOT(band)= 0.000545 trlgG= -0.017837 logG= -0.015117 TDE= -0.133346 logGD-logG0= -0.009902 tlogG= -0.006068 logG= -0.015970 Density= 0.143438 ETOT(band)= 0.005144 trlgG= -0.014218 logG= -0.015970 TDE= -0.133781 logGD-logG0= -0.004930 tlogG= -0.003586 logG= -0.008516 Density= 0.075155 ETOT(band)= 0.004990 trlgG= -0.005333 logG= -0.008516 TDE= -0.067830 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009706 tlogG= -0.005716 logG= -0.015422 logGD-logG0= -0.009740 tlogG= -0.005178 logG= -0.014918 Density= 0.133742 ETOT(band)= -0.003893 trlgG= -0.022404 logG= -0.015422 TDE= -0.133354 Density= 0.129382 ETOT(band)= -0.007418 trlgG= -0.025250 logG= -0.014918 TDE= -0.132583 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019562 tlogG= -0.012296 logG= -0.031858 Density= 0.278656 ETOT(band)= 0.001429 trlgG= -0.037084 logG= -0.031858 TDE= -0.268526 logGD-logG0= -0.019476 tlogG= -0.011041 logG= -0.030517 Density= 0.271331 ETOT(band)= -0.004283 trlgG= -0.040917 logG= -0.030517 TDE= -0.266779 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019532 tlogG= -0.011513 logG= -0.031044 Density= 0.276444 ETOT(band)= 0.000621 trlgG= -0.036913 logG= -0.031044 TDE= -0.267079 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019571 tlogG= -0.010531 logG= -0.030102 Density= 0.264836 ETOT(band)= -0.009858 trlgG= -0.045930 logG= -0.030102 TDE= -0.266070 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009725 tlogG= -0.005349 logG= -0.015074 Density= 0.136324 ETOT(band)= -0.001338 trlgG= -0.019407 logG= -0.015074 TDE= -0.133145 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009723 tlogG= -0.005725 logG= -0.015448 Density= 0.136103 ETOT(band)= -0.001870 trlgG= -0.020399 logG= -0.015448 TDE= -0.133554 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009738 tlogG= -0.005477 logG= -0.015215 Density= 0.136580 ETOT(band)= -0.001182 trlgG= -0.019424 logG= -0.015215 TDE= -0.133262 logGD-logG0= -0.004865 tlogG= -0.002760 logG= -0.007625 Density= 0.068682 ETOT(band)= -0.000266 trlgG= -0.009453 logG= -0.007625 TDE= -0.066725 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002469 tlogG= -0.001875 logG= -0.004343 Density= 0.037178 ETOT(band)= 0.002618 trlgG= -0.002600 logG= -0.004343 TDE= -0.033386 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002371 tlogG= -0.002386 logG= -0.004757 Density= 0.034978 ETOT(band)= 0.000822 trlgG= -0.004639 logG= -0.004757 TDE= -0.032933 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009539 tlogG= -0.008572 logG= -0.018111 Density= 0.141029 ETOT(band)= 0.004393 trlgG= -0.016576 logG= -0.018111 TDE= -0.131722 logGD-logG0= -0.009570 tlogG= -0.007620 logG= -0.017190 Density= 0.138181 ETOT(band)= 0.001352 trlgG= -0.018610 logG= -0.017190 TDE= -0.131986 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002414 tlogG= -0.001996 logG= -0.004410 Density= 0.035787 ETOT(band)= 0.001554 trlgG= -0.003598 logG= -0.004410 TDE= -0.033002 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009530 tlogG= -0.007942 logG= -0.017472 Density= 0.139044 ETOT(band)= 0.002478 trlgG= -0.017627 logG= -0.017472 TDE= -0.131536 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009795 tlogG= -0.007263 logG= -0.017058 Density= 0.144834 ETOT(band)= 0.007575 trlgG= -0.012632 logG= -0.017058 TDE= -0.132427 logGD-logG0= -0.009512 tlogG= -0.008163 logG= -0.017675 Density= 0.139289 ETOT(band)= 0.002839 trlgG= -0.017516 logG= -0.017675 TDE= -0.131454 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004758 tlogG= -0.004102 logG= -0.008860 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.070102 ETOT(band)= 0.001884 trlgG= -0.008352 logG= -0.008860 TDE= -0.065732 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009587 tlogG= -0.007467 logG= -0.017054 Density= 0.140995 ETOT(band)= 0.004451 trlgG= -0.015489 logG= -0.017054 TDE= -0.131660 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009627 tlogG= -0.006554 logG= -0.016180 logGD-logG0= -0.009584 tlogG= -0.007059 logG= -0.016643 Density= 0.139652 ETOT(band)= 0.003386 trlgG= -0.016021 logG= -0.016643 TDE= -0.131335 Density= 0.137991 ETOT(band)= 0.001401 trlgG= -0.017854 logG= -0.016180 TDE= -0.132060 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009753 tlogG= -0.005524 logG= -0.015278 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.133397 ETOT(band)= -0.003009 trlgG= -0.021318 logG= -0.015278 TDE= -0.132086 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004849 tlogG= -0.002913 logG= -0.007762 Density= 0.068433 ETOT(band)= 0.000430 trlgG= -0.008790 logG= -0.007762 TDE= -0.065690 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009479 tlogG= -0.009209 logG= -0.018688 Density= 0.140012 ETOT(band)= 0.003407 trlgG= -0.018045 logG= -0.018688 TDE= -0.131653 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009624 tlogG= -0.007644 logG= -0.017269 Density= 0.142389 ETOT(band)= 0.005669 trlgG= -0.014532 logG= -0.017269 TDE= -0.131805 logGD-logG0= -0.019066 tlogG= -0.016074 logG= -0.035140 Density= 0.280882 ETOT(band)= 0.007900 trlgG= -0.032772 logG= -0.035140 TDE= -0.263035 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009933 tlogG= -0.006752 logG= -0.016685 Density= 0.146113 ETOT(band)= 0.008422 trlgG= -0.011732 logG= -0.016685 TDE= -0.133109 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019368 tlogG= -0.013484 logG= -0.032852 Density= 0.284048 ETOT(band)= 0.010561 trlgG= -0.028367 logG= -0.032852 TDE= -0.263909 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009734 tlogG= -0.005303 logG= -0.015037 Density= 0.129164 ETOT(band)= -0.006904 trlgG= -0.024838 logG= -0.015037 TDE= -0.131847 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019174 tlogG= -0.014345 logG= -0.033519 Density= 0.278277 ETOT(band)= 0.005263 trlgG= -0.033728 logG= -0.033519 TDE= -0.263151 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019340 tlogG= -0.012035 logG= -0.031375 Density= 0.277096 ETOT(band)= 0.004465 trlgG= -0.032862 logG= -0.031375 TDE= -0.263312 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009615 tlogG= -0.006809 logG= -0.016424 logGD-logG0= -0.009789 tlogG= -0.005815 logG= -0.015605 Density= 0.140829 ETOT(band)= 0.004538 trlgG= -0.014833 logG= -0.016424 TDE= -0.131478 Density= 0.140315 ETOT(band)= 0.003582 trlgG= -0.015224 logG= -0.015605 TDE= -0.132202 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003147 tlogG= 0.067970 logG= 0.064822 Density= 0.046088 ETOT(band)= 0.000560 trlgG= 0.064461 logG= 0.064822 TDE= -0.043910 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003179 tlogG= 0.068657 logG= 0.065478 Density= 0.046449 ETOT(band)= 0.000932 trlgG= 0.065524 logG= 0.065478 TDE= -0.043844 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002361 tlogG= 0.050998 logG= 0.048636 logGD-logG0= -0.003160 tlogG= 0.068259 logG= 0.065099 Density= 0.046398 ETOT(band)= 0.000848 trlgG= 0.065047 logG= 0.065099 TDE= -0.043894 Density= 0.034622 ETOT(band)= 0.000464 trlgG= 0.048415 logG= 0.048636 TDE= -0.032935 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009511 tlogG= 0.205507 logG= 0.195995 Density= 0.139579 ETOT(band)= 0.003031 trlgG= 0.196271 logG= 0.195995 TDE= -0.131612 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009473 tlogG= 0.204802 logG= 0.195329 Density= 0.139146 ETOT(band)= 0.002561 trlgG= 0.195107 logG= 0.195329 TDE= -0.131700 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004728 tlogG= 0.102215 logG= 0.097487 Density= 0.069457 ETOT(band)= 0.001135 trlgG= 0.097260 logG= 0.097487 TDE= -0.065857 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009533 tlogG= 0.205871 logG= 0.196338 Density= 0.139858 ETOT(band)= 0.003285 trlgG= 0.196895 logG= 0.196338 TDE= -0.131593 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 3.30240368766124 eV TrLogG= -13.2319415373352 eV Ratio to renormalize= 0.999999999745 rho-rho_expected= 0.000000004081 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 35) Finished k-point number 36 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 45) Finished k-point number 46 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 61) Finished k-point number 62 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 55) Finished k-point number 56 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 86) Finished k-point number 87 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 74) Finished k-point number 75 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.932708501633991 0.929474396728906 7) Finished k-point number 8 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 44) Finished k-point number 45 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 53) Finished k-point number 54 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 6) Finished k-point number 7 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 34) Finished k-point number 35 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 16) Finished k-point number 17 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 33) Finished k-point number 34 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 62) Finished k-point number 63 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 61) Finished k-point number 62 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 12.8559227316314 Density= 15.9835981672644 16.0000000000000 EF 13.1280365637449 Density= 16.4681756789584 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96489298 0.94489298 0.468176 -0.164018E-01 1 0.95489298 0.94489300 0.229841 -0.164018E-01 2 0.94989299 0.94489322 0.108939 -0.164018E-01 3 0.94739311 0.94489335 0.470436E-01 -0.164018E-01 4 0.94614323 0.94489305 0.155391E-01 -0.164018E-01 5 0.94553284 0.94489305 0.641653E-06 -0.164018E-01 6 0.94553282 0.94489305 0.437943E-10 -0.164018E-01 Absolute convergence of |F(X)|. Difference in EF= 0.0087054626 EF set to : 12.8646281942 new EF (no-mixing): 12.8646281942 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001223 tlogG= -0.001248 logG= -0.002471 Density= 0.019109 ETOT(band)= 0.001268 trlgG= -0.001649 logG= -0.002471 TDE= -0.017246 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002438 tlogG= -0.002403 logG= -0.004841 Density= 0.038170 ETOT(band)= 0.002631 trlgG= -0.003106 logG= -0.004841 TDE= -0.034356 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009757 tlogG= -0.009531 logG= -0.019287 Density= 0.152764 ETOT(band)= 0.010389 trlgG= -0.012472 logG= -0.019287 TDE= -0.137628 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004875 tlogG= -0.004618 logG= -0.009493 Density= 0.076358 ETOT(band)= 0.005277 trlgG= -0.006005 logG= -0.009493 TDE= -0.068711 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002442 tlogG= -0.002081 logG= -0.004523 Density= 0.037804 ETOT(band)= 0.002754 trlgG= -0.002719 logG= -0.004523 TDE= -0.033940 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001599 tlogG= -0.001356 logG= -0.002954 Density= 0.022905 ETOT(band)= -0.000171 trlgG= -0.003611 logG= -0.002954 TDE= -0.022314 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009785 tlogG= -0.008071 logG= -0.017856 Density= 0.151756 ETOT(band)= 0.010912 trlgG= -0.010655 logG= -0.017856 TDE= -0.136290 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009782 tlogG= -0.006792 logG= -0.016574 Density= 0.142049 ETOT(band)= 0.002589 trlgG= -0.017481 logG= -0.016574 TDE= -0.135219 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009787 tlogG= -0.008676 logG= -0.018462 Density= 0.151980 ETOT(band)= 0.011011 trlgG= -0.011175 logG= -0.018462 TDE= -0.136415 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004894 tlogG= -0.004197 logG= -0.009091 Density= 0.076068 ETOT(band)= 0.005366 trlgG= -0.005586 logG= -0.009091 TDE= -0.068419 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009798 tlogG= -0.008807 logG= -0.018605 Density= 0.152346 ETOT(band)= 0.010917 trlgG= -0.011364 logG= -0.018605 TDE= -0.136807 logGD-logG0= -0.009764 tlogG= -0.007814 logG= -0.017578 Density= 0.151170 ETOT(band)= 0.011377 trlgG= -0.009885 logG= -0.017578 TDE= -0.135243 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019564 tlogG= -0.014806 logG= -0.034370 Density= 0.301319 ETOT(band)= 0.021498 trlgG= -0.020107 logG= -0.034370 TDE= -0.270644 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019568 tlogG= -0.015919 logG= -0.035487 Density= 0.303623 ETOT(band)= 0.021704 trlgG= -0.021207 logG= -0.035487 TDE= -0.272805 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009816 tlogG= -0.006656 logG= -0.016472 Density= 0.147698 ETOT(band)= 0.008158 trlgG= -0.011914 logG= -0.016472 TDE= -0.135095 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003149 tlogG= -0.002670 logG= -0.005819 Density= 0.046075 ETOT(band)= 0.000507 trlgG= -0.006180 logG= -0.005819 TDE= -0.043925 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003190 tlogG= -0.002603 logG= -0.005793 Density= 0.045644 ETOT(band)= -0.000332 trlgG= -0.007137 logG= -0.005793 TDE= -0.044501 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009585 tlogG= -0.007676 logG= -0.017261 Density= 0.137454 ETOT(band)= -0.000750 trlgG= -0.021079 logG= -0.017261 TDE= -0.133784 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009577 tlogG= -0.007589 logG= -0.017166 Density= 0.137337 ETOT(band)= -0.000682 trlgG= -0.020931 logG= -0.017166 TDE= -0.133621 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003175 tlogG= -0.002627 logG= -0.005801 Density= 0.045843 ETOT(band)= 0.000040 trlgG= -0.006700 logG= -0.005801 TDE= -0.044246 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009596 tlogG= -0.006855 logG= -0.016451 Density= 0.138328 ETOT(band)= 0.000429 trlgG= -0.019224 logG= -0.016451 TDE= -0.133567 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009516 tlogG= -0.007566 logG= -0.017082 Density= 0.137929 ETOT(band)= 0.000880 trlgG= -0.019018 logG= -0.017082 TDE= -0.132352 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009565 tlogG= -0.007515 logG= -0.017079 Density= 0.137357 ETOT(band)= -0.000317 trlgG= -0.020451 logG= -0.017079 TDE= -0.133247 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009811 tlogG= -0.007578 logG= -0.017389 Density= 0.150161 ETOT(band)= 0.011205 trlgG= -0.009854 logG= -0.017389 TDE= -0.134447 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009875 tlogG= -0.007167 logG= -0.017042 Density= 0.148504 ETOT(band)= 0.009306 trlgG= -0.011377 logG= -0.017042 TDE= -0.134750 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009572 tlogG= -0.006723 logG= -0.016295 logGD-logG0= -0.009546 tlogG= -0.007543 logG= -0.017089 Density= 0.137565 ETOT(band)= 0.000060 trlgG= -0.019998 logG= -0.017089 TDE= -0.132981 Density= 0.138139 ETOT(band)= 0.000725 trlgG= -0.018714 logG= -0.016295 TDE= -0.133035 logGD-logG0= -0.004839 tlogG= -0.003220 logG= -0.008059 logGD-logG0= -0.009806 tlogG= -0.006671 logG= -0.016477 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.141313 ETOT(band)= 0.002540 trlgG= -0.017332 logG= -0.016477 TDE= -0.134471 Density= 0.067961 ETOT(band)= -0.001240 trlgG= -0.010907 logG= -0.008059 TDE= -0.067107 logGD-logG0= -0.009685 tlogG= -0.006512 logG= -0.016198 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.139957 ETOT(band)= 0.002389 trlgG= -0.016930 logG= -0.016198 TDE= -0.133066 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009605 tlogG= -0.006817 logG= -0.016422 Density= 0.138247 ETOT(band)= 0.000434 trlgG= -0.019226 logG= -0.016422 TDE= -0.133522 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009598 tlogG= -0.007029 logG= -0.016628 Density= 0.138811 ETOT(band)= 0.001276 trlgG= -0.018337 logG= -0.016628 TDE= -0.132961 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004865 tlogG= -0.002695 logG= -0.007559 Density= 0.065467 ETOT(band)= -0.002934 trlgG= -0.011955 logG= -0.007559 TDE= -0.066297 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009739 tlogG= -0.006677 logG= -0.016416 Density= 0.143156 ETOT(band)= 0.005780 trlgG= -0.013887 logG= -0.016416 TDE= -0.132830 logGD-logG0= -0.009666 tlogG= -0.006320 logG= -0.015986 logGD-logG0= -0.009649 tlogG= -0.006133 logG= -0.015782 Density= 0.138100 ETOT(band)= 0.000346 trlgG= -0.018635 logG= -0.015782 TDE= -0.133431 Density= 0.138587 ETOT(band)= 0.000814 trlgG= -0.018307 logG= -0.015986 TDE= -0.133359 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009676 tlogG= -0.005879 logG= -0.015554 logGD-logG0= -0.009636 tlogG= -0.005815 logG= -0.015450 Density= 0.136938 ETOT(band)= -0.000277 trlgG= -0.018923 logG= -0.015450 TDE= -0.132952 logGD-logG0= -0.009587 tlogG= -0.007047 logG= -0.016634 Density= 0.134580 ETOT(band)= -0.003024 trlgG= -0.021745 logG= -0.015554 TDE= -0.133440 Density= 0.138019 ETOT(band)= 0.000044 trlgG= -0.019800 logG= -0.016634 TDE= -0.133667 logGD-logG0= -0.009691 tlogG= -0.006246 logG= -0.015937 Density= 0.136260 ETOT(band)= -0.001788 trlgG= -0.020968 logG= -0.015937 TDE= -0.133870 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009550 tlogG= -0.006987 logG= -0.016537 Density= 0.139243 ETOT(band)= 0.002442 trlgG= -0.016861 logG= -0.016537 TDE= -0.131983 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019639 tlogG= -0.013109 logG= -0.032749 Density= 0.282339 ETOT(band)= 0.004306 trlgG= -0.035335 logG= -0.032749 TDE= -0.269547 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019169 tlogG= -0.014106 logG= -0.033275 logGD-logG0= -0.019385 tlogG= -0.011277 logG= -0.030662 Density= 0.276189 ETOT(band)= 0.000686 trlgG= -0.038877 logG= -0.033275 TDE= -0.266747 Density= 0.271042 ETOT(band)= -0.003824 trlgG= -0.040767 logG= -0.030662 TDE= -0.266383 logGD-logG0= -0.019276 tlogG= -0.012603 logG= -0.031879 Density= 0.278176 ETOT(band)= 0.003185 trlgG= -0.035069 logG= -0.031879 TDE= -0.266215 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019265 tlogG= -0.012313 logG= -0.031578 Density= 0.278086 ETOT(band)= 0.002803 trlgG= -0.035304 logG= -0.031578 TDE= -0.266666 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019116 tlogG= -0.014148 logG= -0.033264 Density= 0.276770 ETOT(band)= 0.002404 trlgG= -0.036763 logG= -0.033264 TDE= -0.265194 logGD-logG0= -0.019486 tlogG= -0.012371 logG= -0.031857 Density= 0.280017 ETOT(band)= 0.004227 trlgG= -0.034264 logG= -0.031857 TDE= -0.267172 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000393 tlogG= 0.008486 logG= 0.008094 Density= 0.005747 ETOT(band)= 0.000059 trlgG= 0.008038 logG= 0.008094 TDE= -0.005490 logGD-logG0= -0.019775 tlogG= -0.012905 logG= -0.032680 Density= 0.289436 ETOT(band)= 0.013384 trlgG= -0.026115 logG= -0.032680 TDE= -0.267106 logGD-logG0= -0.009837 tlogG= -0.006679 logG= -0.016516 Density= 0.141430 ETOT(band)= 0.002135 trlgG= -0.017869 logG= -0.016516 TDE= -0.135080 logGD-logG0= -0.019223 tlogG= -0.012669 logG= -0.031892 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019280 tlogG= -0.012457 logG= -0.031737 Density= 0.278349 ETOT(band)= 0.002778 trlgG= -0.035534 logG= -0.031737 TDE= -0.266985 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 Density= 0.278801 ETOT(band)= 0.004981 trlgG= -0.032868 logG= -0.031892 TDE= -0.264591 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019527 tlogG= -0.010611 logG= -0.030138 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.262374 ETOT(band)= -0.011244 trlgG= -0.047348 logG= -0.030138 TDE= -0.265293 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009707 tlogG= -0.005709 logG= -0.015416 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019403 tlogG= -0.012158 logG= -0.031561 Density= 0.271403 ETOT(band)= -0.004740 trlgG= -0.042795 logG= -0.031561 TDE= -0.267854 Density= 0.133726 ETOT(band)= -0.003821 trlgG= -0.022338 logG= -0.015416 TDE= -0.133364 logGD-logG0= -0.019391 tlogG= -0.011852 logG= -0.031243 Density= 0.274836 ETOT(band)= -0.000684 trlgG= -0.038231 logG= -0.031243 TDE= -0.266854 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019566 tlogG= -0.012281 logG= -0.031847 Density= 0.278701 ETOT(band)= 0.001641 trlgG= -0.036886 logG= -0.031847 TDE= -0.268560 logGD-logG0= -0.004931 tlogG= -0.003586 logG= -0.008517 Density= 0.075143 ETOT(band)= 0.005022 trlgG= -0.005308 logG= -0.008517 TDE= -0.067841 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019214 tlogG= -0.011989 logG= -0.031202 Density= 0.276760 ETOT(band)= 0.002784 trlgG= -0.034754 logG= -0.031202 TDE= -0.265237 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009744 tlogG= -0.005169 logG= -0.014912 Density= 0.129455 ETOT(band)= -0.007264 trlgG= -0.025103 logG= -0.014912 TDE= -0.132594 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019512 tlogG= -0.010758 logG= -0.030270 Density= 0.274450 ETOT(band)= -0.000162 trlgG= -0.036867 logG= -0.030270 TDE= -0.266098 logGD-logG0= -0.019475 tlogG= -0.010825 logG= -0.030300 Density= 0.270876 ETOT(band)= -0.002693 trlgG= -0.039072 logG= -0.030300 TDE= -0.264894 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009773 tlogG= -0.005340 logG= -0.015114 Density= 0.138363 ETOT(band)= 0.000744 trlgG= -0.017647 logG= -0.015114 TDE= -0.133361 logGD-logG0= -0.019535 tlogG= -0.011499 logG= -0.031033 Density= 0.276505 ETOT(band)= 0.000849 trlgG= -0.036698 logG= -0.031033 TDE= -0.267109 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019477 tlogG= -0.011023 logG= -0.030500 Density= 0.271350 ETOT(band)= -0.004092 trlgG= -0.040733 logG= -0.030500 TDE= -0.266803 logGD-logG0= -0.019570 tlogG= -0.010516 logG= -0.030086 Density= 0.264960 ETOT(band)= -0.009568 trlgG= -0.045650 logG= -0.030086 TDE= -0.266093 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009905 tlogG= -0.006064 logG= -0.015969 Density= 0.143482 ETOT(band)= 0.005270 trlgG= -0.014100 logG= -0.015969 TDE= -0.133798 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009739 tlogG= -0.005470 logG= -0.015209 Density= 0.136594 ETOT(band)= -0.001082 trlgG= -0.019329 logG= -0.015209 TDE= -0.133274 logGD-logG0= -0.009724 tlogG= -0.005720 logG= -0.015444 Density= 0.136083 ETOT(band)= -0.001801 trlgG= -0.020338 logG= -0.015444 TDE= -0.133565 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009725 tlogG= -0.005343 logG= -0.015068 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136330 ETOT(band)= -0.001245 trlgG= -0.019319 logG= -0.015068 TDE= -0.133155 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004865 tlogG= -0.002756 logG= -0.007621 Density= 0.068676 ETOT(band)= -0.000228 trlgG= -0.009418 logG= -0.007621 TDE= -0.066732 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002469 tlogG= -0.001875 logG= -0.004344 Density= 0.037172 ETOT(band)= 0.002634 trlgG= -0.002587 logG= -0.004344 TDE= -0.033391 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002371 tlogG= -0.002384 logG= -0.004756 Density= 0.034973 ETOT(band)= 0.000840 trlgG= -0.004623 logG= -0.004756 TDE= -0.032936 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009570 tlogG= -0.007609 logG= -0.017179 Density= 0.138150 ETOT(band)= 0.001414 trlgG= -0.018548 logG= -0.017179 TDE= -0.131994 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009539 tlogG= -0.008567 logG= -0.018106 Density= 0.141020 ETOT(band)= 0.004474 trlgG= -0.016501 logG= -0.018106 TDE= -0.131735 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009797 tlogG= -0.007260 logG= -0.017057 Density= 0.144848 ETOT(band)= 0.007675 trlgG= -0.012542 logG= -0.017057 TDE= -0.132443 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009529 tlogG= -0.007937 logG= -0.017466 logGD-logG0= -0.009512 tlogG= -0.008158 logG= -0.017670 Density= 0.139019 ETOT(band)= 0.002545 trlgG= -0.017564 logG= -0.017466 TDE= -0.131545 Density= 0.139265 ETOT(band)= 0.002908 trlgG= -0.017453 logG= -0.017670 TDE= -0.131464 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004757 tlogG= -0.004099 logG= -0.008856 Density= 0.070093 ETOT(band)= 0.001921 trlgG= -0.008317 logG= -0.008856 TDE= -0.065737 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002415 tlogG= -0.001995 logG= -0.004410 Density= 0.035788 ETOT(band)= 0.001578 trlgG= -0.003577 logG= -0.004410 TDE= -0.033006 logGD-logG0= -0.009587 tlogG= -0.007462 logG= -0.017049 Density= 0.140992 ETOT(band)= 0.004536 trlgG= -0.015410 logG= -0.017049 TDE= -0.131673 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009584 tlogG= -0.007052 logG= -0.016636 Density= 0.139635 ETOT(band)= 0.003459 trlgG= -0.015951 logG= -0.016636 TDE= -0.131345 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009754 tlogG= -0.005519 logG= -0.015273 Density= 0.133441 ETOT(band)= -0.002880 trlgG= -0.021197 logG= -0.015273 TDE= -0.132096 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009627 tlogG= -0.006547 logG= -0.016173 Density= 0.137963 ETOT(band)= 0.001463 trlgG= -0.017795 logG= -0.016173 TDE= -0.132070 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004849 tlogG= -0.002910 logG= -0.007759 Density= 0.068439 ETOT(band)= 0.000479 trlgG= -0.008743 logG= -0.007759 TDE= -0.065695 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009479 tlogG= -0.009204 logG= -0.018683 Density= 0.139992 ETOT(band)= 0.003480 trlgG= -0.017979 logG= -0.018683 TDE= -0.131664 logGD-logG0= -0.009625 tlogG= -0.007641 logG= -0.017266 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.142394 ETOT(band)= 0.005762 trlgG= -0.014447 logG= -0.017266 TDE= -0.131819 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019066 tlogG= -0.016064 logG= -0.035129 Density= 0.280855 ETOT(band)= 0.008054 trlgG= -0.032630 logG= -0.035129 TDE= -0.263058 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009934 tlogG= -0.006752 logG= -0.016686 logGD-logG0= -0.009736 tlogG= -0.005294 logG= -0.015029 Density= 0.129232 ETOT(band)= -0.006758 trlgG= -0.024693 logG= -0.015029 TDE= -0.131857 Density= 0.146116 ETOT(band)= 0.008511 trlgG= -0.011655 logG= -0.016686 TDE= -0.133126 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019369 tlogG= -0.013476 logG= -0.032845 Density= 0.284074 ETOT(band)= 0.010760 trlgG= -0.028182 logG= -0.032845 TDE= -0.263938 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019174 tlogG= -0.014335 logG= -0.033508 Density= 0.278236 ETOT(band)= 0.005403 trlgG= -0.033596 logG= -0.033508 TDE= -0.263169 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019343 tlogG= -0.012023 logG= -0.031365 Density= 0.277087 ETOT(band)= 0.004634 trlgG= -0.032705 logG= -0.031365 TDE= -0.263334 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009790 tlogG= -0.005812 logG= -0.015602 Density= 0.140375 ETOT(band)= 0.003723 trlgG= -0.015090 logG= -0.015602 TDE= -0.132217 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009614 tlogG= -0.006806 logG= -0.016420 Density= 0.140825 ETOT(band)= 0.004622 trlgG= -0.014754 logG= -0.016420 TDE= -0.131489 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002361 tlogG= 0.051036 logG= 0.048674 Density= 0.034614 ETOT(band)= 0.000480 trlgG= 0.048466 logG= 0.048674 TDE= -0.032937 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003147 tlogG= 0.068021 logG= 0.064873 Density= 0.046077 ETOT(band)= 0.000580 trlgG= 0.064529 logG= 0.064873 TDE= -0.043912 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003179 tlogG= 0.068708 logG= 0.065529 Density= 0.046441 ETOT(band)= 0.000954 trlgG= 0.065594 logG= 0.065529 TDE= -0.043847 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003160 tlogG= 0.068310 logG= 0.065150 Density= 0.046389 ETOT(band)= 0.000870 trlgG= 0.065116 logG= 0.065150 TDE= -0.043896 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009511 tlogG= 0.205660 logG= 0.196149 Density= 0.139556 ETOT(band)= 0.003099 trlgG= 0.196482 logG= 0.196149 TDE= -0.131621 logGD-logG0= -0.009533 tlogG= 0.206021 logG= 0.196488 Density= 0.139836 ETOT(band)= 0.003357 trlgG= 0.197105 logG= 0.196488 TDE= -0.131603 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009474 tlogG= 0.204953 logG= 0.195480 Density= 0.139120 ETOT(band)= 0.002629 trlgG= 0.195313 logG= 0.195480 TDE= -0.131708 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004728 tlogG= 0.102290 logG= 0.097562 Density= 0.069442 ETOT(band)= 0.001168 trlgG= 0.097362 logG= 0.097562 TDE= -0.065860 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 3.43861310630514 eV TrLogG= -13.0974213913102 eV Ratio to renormalize= 0.999999999746 rho-rho_expected= 0.000000004069 nargs= 1 argi=dmft2.def 10) Finished k-point number 11 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 23) Finished k-point number 24 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 31) Finished k-point number 32 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 94) Finished k-point number 95 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 89) Finished k-point number 90 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 95) Finished k-point number 96 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.932554051194311 0.929279849083312 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 12.8646281942058 Density= 15.9785628881375 16.0000000000000 EF 13.1367420263194 Density= 16.4643185444350 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96553282 0.94553282 0.464319 -0.214371E-01 1 0.95553282 0.94553284 0.225691 -0.214371E-01 2 0.95053283 0.94553306 0.104396 -0.214371E-01 3 0.94803295 0.94553319 0.422678E-01 -0.214371E-01 4 0.94678307 0.94553289 0.106375E-01 -0.214371E-01 5 0.94636649 0.94553289 0.341533E-06 -0.214371E-01 6 0.94636648 0.94553289 0.144773E-10 -0.214371E-01 Absolute convergence of |F(X)|. Difference in EF= 0.0113425010 EF set to : 12.8759706952 new EF (no-mixing): 12.8759706952 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001223 tlogG= -0.001249 logG= -0.002472 Density= 0.019101 ETOT(band)= 0.001274 trlgG= -0.001646 logG= -0.002472 TDE= -0.017250 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002438 tlogG= -0.002404 logG= -0.004842 Density= 0.038153 ETOT(band)= 0.002644 trlgG= -0.003099 logG= -0.004842 TDE= -0.034364 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009759 tlogG= -0.009532 logG= -0.019291 Density= 0.152696 ETOT(band)= 0.010440 trlgG= -0.012444 logG= -0.019291 TDE= -0.137659 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004876 tlogG= -0.004619 logG= -0.009495 Density= 0.076324 ETOT(band)= 0.005302 trlgG= -0.005991 logG= -0.009495 TDE= -0.068727 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002442 tlogG= -0.002082 logG= -0.004524 Density= 0.037783 ETOT(band)= 0.002762 trlgG= -0.002715 logG= -0.004524 TDE= -0.033948 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001599 tlogG= -0.001354 logG= -0.002952 Density= 0.022897 ETOT(band)= -0.000160 trlgG= -0.003599 logG= -0.002952 TDE= -0.022316 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009789 tlogG= -0.008676 logG= -0.018466 Density= 0.151906 ETOT(band)= 0.011055 trlgG= -0.011152 logG= -0.018466 TDE= -0.136445 logGD-logG0= -0.009788 tlogG= -0.008072 logG= -0.017860 Density= 0.151683 ETOT(band)= 0.010956 trlgG= -0.010630 logG= -0.017860 TDE= -0.136319 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009787 tlogG= -0.006785 logG= -0.016572 Density= 0.142162 ETOT(band)= 0.002804 trlgG= -0.017280 logG= -0.016572 TDE= -0.135244 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004895 tlogG= -0.004198 logG= -0.009093 Density= 0.076031 ETOT(band)= 0.005388 trlgG= -0.005574 logG= -0.009093 TDE= -0.068434 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009801 tlogG= -0.008808 logG= -0.018609 Density= 0.152275 ETOT(band)= 0.010965 trlgG= -0.011338 logG= -0.018609 TDE= -0.136837 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019568 tlogG= -0.014809 logG= -0.034377 Density= 0.301204 ETOT(band)= 0.021618 trlgG= -0.020025 logG= -0.034377 TDE= -0.270698 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009766 tlogG= -0.007815 logG= -0.017581 Density= 0.151096 ETOT(band)= 0.011421 trlgG= -0.009859 logG= -0.017581 TDE= -0.135270 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019574 tlogG= -0.015920 logG= -0.035494 Density= 0.303478 ETOT(band)= 0.021795 trlgG= -0.021157 logG= -0.035494 TDE= -0.272864 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009817 tlogG= -0.006656 logG= -0.016474 Density= 0.147699 ETOT(band)= 0.008271 trlgG= -0.011818 logG= -0.016474 TDE= -0.135121 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003150 tlogG= -0.002667 logG= -0.005817 Density= 0.046061 ETOT(band)= 0.000534 trlgG= -0.006155 logG= -0.005817 TDE= -0.043929 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003191 tlogG= -0.002601 logG= -0.005792 logGD-logG0= -0.009578 tlogG= -0.007580 logG= -0.017158 Density= 0.137290 ETOT(band)= -0.000609 trlgG= -0.020866 logG= -0.017158 TDE= -0.133634 Density= 0.045627 ETOT(band)= -0.000309 trlgG= -0.007117 logG= -0.005792 TDE= -0.044505 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009586 tlogG= -0.007669 logG= -0.017255 Density= 0.137408 ETOT(band)= -0.000677 trlgG= -0.021014 logG= -0.017255 TDE= -0.133797 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003175 tlogG= -0.002623 logG= -0.005798 Density= 0.045828 ETOT(band)= 0.000064 trlgG= -0.006677 logG= -0.005798 TDE= -0.044249 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009565 tlogG= -0.007503 logG= -0.017068 Density= 0.137312 ETOT(band)= -0.000243 trlgG= -0.020380 logG= -0.017068 TDE= -0.133259 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009877 tlogG= -0.007169 logG= -0.017046 Density= 0.148472 ETOT(band)= 0.009389 trlgG= -0.011313 logG= -0.017046 TDE= -0.134776 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009595 tlogG= -0.006844 logG= -0.016439 Density= 0.138297 ETOT(band)= 0.000513 trlgG= -0.019143 logG= -0.016439 TDE= -0.133583 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009572 tlogG= -0.006713 logG= -0.016286 Density= 0.138105 ETOT(band)= 0.000808 trlgG= -0.018637 logG= -0.016286 TDE= -0.133050 logGD-logG0= -0.009516 tlogG= -0.007558 logG= -0.017074 Density= 0.137887 ETOT(band)= 0.000959 trlgG= -0.018945 logG= -0.017074 TDE= -0.132362 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009813 tlogG= -0.007579 logG= -0.017392 Density= 0.150095 ETOT(band)= 0.011256 trlgG= -0.009819 logG= -0.017392 TDE= -0.134472 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004840 tlogG= -0.003215 logG= -0.008055 Density= 0.067935 ETOT(band)= -0.001208 trlgG= -0.010879 logG= -0.008055 TDE= -0.067115 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009810 tlogG= -0.006664 logG= -0.016474 Density= 0.141383 ETOT(band)= 0.002717 trlgG= -0.017168 logG= -0.016474 TDE= -0.134494 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009692 tlogG= -0.006236 logG= -0.015928 Density= 0.136220 ETOT(band)= -0.001711 trlgG= -0.020899 logG= -0.015928 TDE= -0.133885 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009650 tlogG= -0.006126 logG= -0.015775 Density= 0.138087 ETOT(band)= 0.000448 trlgG= -0.018543 logG= -0.015775 TDE= -0.133449 logGD-logG0= -0.009686 tlogG= -0.006505 logG= -0.016192 Density= 0.139965 ETOT(band)= 0.002509 trlgG= -0.016819 logG= -0.016192 TDE= -0.133085 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009546 tlogG= -0.007531 logG= -0.017077 Density= 0.137521 ETOT(band)= 0.000135 trlgG= -0.019925 logG= -0.017077 TDE= -0.132992 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009677 tlogG= -0.005867 logG= -0.015545 Density= 0.134536 ETOT(band)= -0.002951 trlgG= -0.021678 logG= -0.015545 TDE= -0.133454 logGD-logG0= -0.009605 tlogG= -0.006806 logG= -0.016411 Density= 0.138218 ETOT(band)= 0.000520 trlgG= -0.019144 logG= -0.016411 TDE= -0.133538 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009667 tlogG= -0.006312 logG= -0.015978 Density= 0.138579 ETOT(band)= 0.000920 trlgG= -0.018209 logG= -0.015978 TDE= -0.133377 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009637 tlogG= -0.005807 logG= -0.015444 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136930 ETOT(band)= -0.000171 trlgG= -0.018826 logG= -0.015444 TDE= -0.132968 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009588 tlogG= -0.007046 logG= -0.016634 logGD-logG0= -0.009551 tlogG= -0.006981 logG= -0.016531 Density= 0.139221 ETOT(band)= 0.002537 trlgG= -0.016774 logG= -0.016531 TDE= -0.131997 Density= 0.137982 ETOT(band)= 0.000124 trlgG= -0.019736 logG= -0.016634 TDE= -0.133683 logGD-logG0= -0.009741 tlogG= -0.006673 logG= -0.016414 Density= 0.143185 ETOT(band)= 0.005919 trlgG= -0.013759 logG= -0.016414 TDE= -0.132851 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004865 tlogG= -0.002689 logG= -0.007554 Density= 0.065467 ETOT(band)= -0.002878 trlgG= -0.011901 logG= -0.007554 TDE= -0.066303 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009599 tlogG= -0.007023 logG= -0.016622 Density= 0.138782 ETOT(band)= 0.001365 trlgG= -0.018259 logG= -0.016622 TDE= -0.132976 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019171 tlogG= -0.014089 logG= -0.033260 Density= 0.276119 ETOT(band)= 0.000851 trlgG= -0.038728 logG= -0.033260 TDE= -0.266778 logGD-logG0= -0.019649 tlogG= -0.013094 logG= -0.032743 Density= 0.282500 ETOT(band)= 0.004678 trlgG= -0.034989 logG= -0.032743 TDE= -0.269595 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019386 tlogG= -0.011257 logG= -0.030643 Density= 0.271066 ETOT(band)= -0.003575 trlgG= -0.040531 logG= -0.030643 TDE= -0.266416 logGD-logG0= -0.009843 tlogG= -0.006672 logG= -0.016515 Density= 0.141534 ETOT(band)= 0.002342 trlgG= -0.017677 logG= -0.016515 TDE= -0.135105 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019267 tlogG= -0.012297 logG= -0.031563 Density= 0.278070 ETOT(band)= 0.003014 trlgG= -0.035109 logG= -0.031563 TDE= -0.266702 logGD-logG0= -0.019781 tlogG= -0.012899 logG= -0.032680 Density= 0.289491 ETOT(band)= 0.013659 trlgG= -0.025867 logG= -0.032680 TDE= -0.267151 logGD-logG0= -0.019283 tlogG= -0.012446 logG= -0.031729 Density= 0.278338 ETOT(band)= 0.002994 trlgG= -0.035341 logG= -0.031729 TDE= -0.267022 logGD-logG0= -0.019490 tlogG= -0.012355 logG= -0.031846 logGD-logG0= -0.019223 tlogG= -0.012649 logG= -0.031872 Density= 0.278791 ETOT(band)= 0.005199 trlgG= -0.032657 logG= -0.031872 TDE= -0.264624 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.280078 ETOT(band)= 0.004506 trlgG= -0.034002 logG= -0.031846 TDE= -0.267213 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000393 tlogG= 0.008495 logG= 0.008102 Density= 0.005745 ETOT(band)= 0.000062 trlgG= 0.008049 logG= 0.008102 TDE= -0.005490 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019524 tlogG= -0.010592 logG= -0.030116 Density= 0.262536 ETOT(band)= -0.010870 trlgG= -0.046983 logG= -0.030116 TDE= -0.265322 logGD-logG0= -0.019277 tlogG= -0.012589 logG= -0.031866 Density= 0.278157 ETOT(band)= 0.003394 trlgG= -0.034877 logG= -0.031866 TDE= -0.266250 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019393 tlogG= -0.011834 logG= -0.031226 logGD-logG0= -0.019116 tlogG= -0.014130 logG= -0.033246 Density= 0.274833 ETOT(band)= -0.000461 trlgG= -0.038022 logG= -0.031226 TDE= -0.266889 Density= 0.276702 ETOT(band)= 0.002572 trlgG= -0.036605 logG= -0.033246 TDE= -0.265220 logGD-logG0= -0.009773 tlogG= -0.005332 logG= -0.015104 Density= 0.138501 ETOT(band)= 0.000984 trlgG= -0.017412 logG= -0.015104 TDE= -0.133380 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019511 tlogG= -0.010742 logG= -0.030253 Density= 0.274744 ETOT(band)= 0.000337 trlgG= -0.036379 logG= -0.030253 TDE= -0.266135 logGD-logG0= -0.019406 tlogG= -0.012138 logG= -0.031544 Density= 0.271316 ETOT(band)= -0.004594 trlgG= -0.042663 logG= -0.031544 TDE= -0.267884 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019216 tlogG= -0.011974 logG= -0.031190 Density= 0.276738 ETOT(band)= 0.002992 trlgG= -0.034563 logG= -0.031190 TDE= -0.265269 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009746 tlogG= -0.005151 logG= -0.014897 Density= 0.129544 ETOT(band)= -0.007073 trlgG= -0.024909 logG= -0.014897 TDE= -0.132608 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004932 tlogG= -0.003587 logG= -0.008519 Density= 0.075125 ETOT(band)= 0.005063 trlgG= -0.005277 logG= -0.008519 TDE= -0.067854 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009707 tlogG= -0.005692 logG= -0.015400 Density= 0.133686 ETOT(band)= -0.003744 trlgG= -0.022260 logG= -0.015400 TDE= -0.133377 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019572 tlogG= -0.012265 logG= -0.031837 Density= 0.278763 ETOT(band)= 0.001921 trlgG= -0.036629 logG= -0.031837 TDE= -0.268604 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019566 tlogG= -0.010496 logG= -0.030062 Density= 0.265119 ETOT(band)= -0.009195 trlgG= -0.045285 logG= -0.030062 TDE= -0.266123 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019539 tlogG= -0.011484 logG= -0.031023 Density= 0.276580 ETOT(band)= 0.001141 trlgG= -0.036425 logG= -0.031023 TDE= -0.267148 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019473 tlogG= -0.010812 logG= -0.030285 Density= 0.271173 ETOT(band)= -0.002191 trlgG= -0.038585 logG= -0.030285 TDE= -0.264929 logGD-logG0= -0.009908 tlogG= -0.006060 logG= -0.015968 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.143537 ETOT(band)= 0.005433 trlgG= -0.013950 logG= -0.015968 TDE= -0.133820 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019479 tlogG= -0.011006 logG= -0.030485 Density= 0.271414 ETOT(band)= -0.003804 trlgG= -0.040463 logG= -0.030485 TDE= -0.266835 logGD-logG0= -0.009727 tlogG= -0.005712 logG= -0.015439 Density= 0.136064 ETOT(band)= -0.001702 trlgG= -0.020251 logG= -0.015439 TDE= -0.133579 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009725 tlogG= -0.005333 logG= -0.015058 Density= 0.136338 ETOT(band)= -0.001124 trlgG= -0.019202 logG= -0.015058 TDE= -0.133169 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009739 tlogG= -0.005461 logG= -0.015200 Density= 0.136610 ETOT(band)= -0.000953 trlgG= -0.019207 logG= -0.015200 TDE= -0.133289 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004866 tlogG= -0.002751 logG= -0.007617 Density= 0.068669 ETOT(band)= -0.000179 trlgG= -0.009372 logG= -0.007617 TDE= -0.066741 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002469 tlogG= -0.001875 logG= -0.004344 Density= 0.037164 ETOT(band)= 0.002655 trlgG= -0.002571 logG= -0.004344 TDE= -0.033397 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002371 tlogG= -0.002383 logG= -0.004754 Density= 0.034967 ETOT(band)= 0.000864 trlgG= -0.004601 logG= -0.004754 TDE= -0.032939 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009571 tlogG= -0.007604 logG= -0.017175 Density= 0.138110 ETOT(band)= 0.001495 trlgG= -0.018476 logG= -0.017175 TDE= -0.132004 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009539 tlogG= -0.008562 logG= -0.018101 Density= 0.141008 ETOT(band)= 0.004579 trlgG= -0.016406 logG= -0.018101 TDE= -0.131750 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009529 tlogG= -0.007928 logG= -0.017457 Density= 0.138987 ETOT(band)= 0.002633 trlgG= -0.017481 logG= -0.017457 TDE= -0.131556 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009512 tlogG= -0.008150 logG= -0.017662 Density= 0.139235 ETOT(band)= 0.002998 trlgG= -0.017370 logG= -0.017662 TDE= -0.131476 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009799 tlogG= -0.007258 logG= -0.017058 Density= 0.144863 ETOT(band)= 0.007804 trlgG= -0.012427 logG= -0.017058 TDE= -0.132464 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009588 tlogG= -0.007457 logG= -0.017045 Density= 0.140987 ETOT(band)= 0.004648 trlgG= -0.015308 logG= -0.017045 TDE= -0.131690 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004756 tlogG= -0.004095 logG= -0.008851 Density= 0.070082 ETOT(band)= 0.001969 trlgG= -0.008272 logG= -0.008851 TDE= -0.065744 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002415 tlogG= -0.001994 logG= -0.004409 Density= 0.035791 ETOT(band)= 0.001609 trlgG= -0.003549 logG= -0.004409 TDE= -0.033011 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009753 tlogG= -0.005509 logG= -0.015262 Density= 0.133481 ETOT(band)= -0.002731 trlgG= -0.021050 logG= -0.015262 TDE= -0.132110 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009627 tlogG= -0.006538 logG= -0.016165 Density= 0.137927 ETOT(band)= 0.001544 trlgG= -0.017719 logG= -0.016165 TDE= -0.132083 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009584 tlogG= -0.007047 logG= -0.016632 Density= 0.139611 ETOT(band)= 0.003554 trlgG= -0.015866 logG= -0.016632 TDE= -0.131358 logGD-logG0= -0.009626 tlogG= -0.007637 logG= -0.017262 Density= 0.142400 ETOT(band)= 0.005882 trlgG= -0.014337 logG= -0.017262 TDE= -0.131837 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004849 tlogG= -0.002907 logG= -0.007756 Density= 0.068443 ETOT(band)= 0.000540 trlgG= -0.008685 logG= -0.007756 TDE= -0.065702 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009478 tlogG= -0.009197 logG= -0.018676 Density= 0.139967 ETOT(band)= 0.003574 trlgG= -0.017893 logG= -0.018676 TDE= -0.131677 logGD-logG0= -0.019372 tlogG= -0.013467 logG= -0.032839 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.284107 ETOT(band)= 0.011019 trlgG= -0.027944 logG= -0.032839 TDE= -0.263975 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009935 tlogG= -0.006753 logG= -0.016688 Density= 0.146117 ETOT(band)= 0.008624 trlgG= -0.011557 logG= -0.016688 TDE= -0.133149 logGD-logG0= -0.019065 tlogG= -0.016052 logG= -0.035117 Density= 0.280820 ETOT(band)= 0.008254 trlgG= -0.032447 logG= -0.035117 TDE= -0.263088 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009791 tlogG= -0.005807 logG= -0.015598 logGD-logG0= -0.019174 tlogG= -0.014319 logG= -0.033494 Density= 0.140451 ETOT(band)= 0.003906 trlgG= -0.014918 logG= -0.015598 TDE= -0.132238 Density= 0.278182 ETOT(band)= 0.005587 trlgG= -0.033424 logG= -0.033494 TDE= -0.263193 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009739 tlogG= -0.005280 logG= -0.015019 Density= 0.129324 ETOT(band)= -0.006562 trlgG= -0.024501 logG= -0.015019 TDE= -0.131870 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019343 tlogG= -0.012012 logG= -0.031354 Density= 0.277075 ETOT(band)= 0.004851 trlgG= -0.032503 logG= -0.031354 TDE= -0.263364 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009615 tlogG= -0.006801 logG= -0.016416 Density= 0.140819 ETOT(band)= 0.004731 trlgG= -0.014654 logG= -0.016416 TDE= -0.131504 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003147 tlogG= 0.068086 logG= 0.064939 logGD-logG0= -0.003179 tlogG= 0.068773 logG= 0.065594 Density= 0.046430 ETOT(band)= 0.000984 trlgG= 0.065683 logG= 0.065594 TDE= -0.043850 Density= 0.046063 ETOT(band)= 0.000608 trlgG= 0.064616 logG= 0.064939 TDE= -0.043915 logGD-logG0= -0.003160 tlogG= 0.068375 logG= 0.065215 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Density= 0.046377 ETOT(band)= 0.000899 trlgG= 0.065206 logG= 0.065215 TDE= -0.043900 logGD-logG0= -0.002361 tlogG= 0.051085 logG= 0.048723 Density= 0.034604 ETOT(band)= 0.000500 trlgG= 0.048533 logG= 0.048723 TDE= -0.032939 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004728 tlogG= 0.102389 logG= 0.097661 logGD-logG0= -0.009533 tlogG= 0.206218 logG= 0.196685 Density= 0.139809 ETOT(band)= 0.003450 trlgG= 0.197380 logG= 0.196685 TDE= -0.131616 Density= 0.069424 ETOT(band)= 0.001211 trlgG= 0.097495 logG= 0.097661 TDE= -0.065866 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009473 tlogG= 0.205150 logG= 0.195677 logGD-logG0= -0.009512 tlogG= 0.205854 logG= 0.196342 Density= 0.139085 ETOT(band)= 0.002716 trlgG= 0.195583 logG= 0.195677 TDE= -0.131720 Density= 0.139526 ETOT(band)= 0.003191 trlgG= 0.196751 logG= 0.196342 TDE= -0.131633 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 3.61578692434725 eV TrLogG= -12.9226445948398 eV Ratio to renormalize= 0.999999999747 rho-rho_expected= 0.000000004050 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 30) Finished k-point number 31 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 31) Finished k-point number 32 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 61) Finished k-point number 62 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 88) Finished k-point number 89 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 85) Finished k-point number 86 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 102) Finished k-point number 103 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.932390742271825 0.929113550054783 53) Finished k-point number 54 1 with #bands= 18 56) Finished k-point number 57 1 with #bands= 18 7) Finished k-point number 8 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 55) Finished k-point number 56 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 19) Finished k-point number 20 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 12.8759706952184 Density= 15.9787097519357 16.0000000000000 EF 13.1480845273320 Density= 16.4652389959266 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96636647 0.94636648 0.465239 -0.212902E-01 1 0.95636647 0.94636649 0.226402 -0.212903E-01 2 0.95136648 0.94636672 0.104812 -0.212902E-01 3 0.94886660 0.94636637 0.425494E-01 -0.212902E-01 4 0.94761649 0.94636655 0.108468E-01 -0.212902E-01 5 0.94719268 0.94636655 0.186066E-05 -0.212902E-01 6 0.94719261 0.94636655 0.849809E-10 -0.212902E-01 Absolute convergence of |F(X)|. Difference in EF= 0.0112401526 EF set to : 12.8872108478 new EF (no-mixing): 12.8872108478 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001223 tlogG= -0.001249 logG= -0.002472 Density= 0.019092 ETOT(band)= 0.001281 trlgG= -0.001642 logG= -0.002472 TDE= -0.017254 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009762 tlogG= -0.009533 logG= -0.019295 Density= 0.152629 ETOT(band)= 0.010490 trlgG= -0.012418 logG= -0.019295 TDE= -0.137691 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002439 tlogG= -0.002404 logG= -0.004843 Density= 0.038136 ETOT(band)= 0.002656 trlgG= -0.003093 logG= -0.004843 TDE= -0.034372 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004877 tlogG= -0.004620 logG= -0.009497 Density= 0.076290 ETOT(band)= 0.005327 trlgG= -0.005978 logG= -0.009497 TDE= -0.068742 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002443 tlogG= -0.002082 logG= -0.004525 Density= 0.037762 ETOT(band)= 0.002770 trlgG= -0.002712 logG= -0.004525 TDE= -0.033955 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004897 tlogG= -0.004197 logG= -0.009094 Density= 0.075994 ETOT(band)= 0.005409 trlgG= -0.005562 logG= -0.009094 TDE= -0.068449 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009793 tlogG= -0.006778 logG= -0.016571 Density= 0.142279 ETOT(band)= 0.003023 trlgG= -0.017076 logG= -0.016571 TDE= -0.135270 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009792 tlogG= -0.008678 logG= -0.018470 Density= 0.151832 ETOT(band)= 0.011098 trlgG= -0.011130 logG= -0.018470 TDE= -0.136474 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009790 tlogG= -0.008073 logG= -0.017863 Density= 0.151611 ETOT(band)= 0.011000 trlgG= -0.010607 logG= -0.017863 TDE= -0.136348 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001599 tlogG= -0.001352 logG= -0.002951 Density= 0.022889 ETOT(band)= -0.000148 trlgG= -0.003589 logG= -0.002951 TDE= -0.022318 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009804 tlogG= -0.008810 logG= -0.018614 Density= 0.152206 ETOT(band)= 0.011013 trlgG= -0.011313 logG= -0.018614 TDE= -0.136867 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009769 tlogG= -0.007816 logG= -0.017585 Density= 0.151023 ETOT(band)= 0.011464 trlgG= -0.009835 logG= -0.017585 TDE= -0.135297 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019573 tlogG= -0.014811 logG= -0.034384 Density= 0.301086 ETOT(band)= 0.021730 trlgG= -0.019949 logG= -0.034384 TDE= -0.270752 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019579 tlogG= -0.015923 logG= -0.035502 Density= 0.303335 ETOT(band)= 0.021884 trlgG= -0.021107 logG= -0.035502 TDE= -0.272922 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009819 tlogG= -0.006657 logG= -0.016476 Density= 0.147697 ETOT(band)= 0.008380 trlgG= -0.011726 logG= -0.016476 TDE= -0.135147 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003149 tlogG= -0.002664 logG= -0.005814 Density= 0.046048 ETOT(band)= 0.000560 trlgG= -0.006130 logG= -0.005814 TDE= -0.043932 logGD-logG0= -0.003175 tlogG= -0.002619 logG= -0.005794 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.045812 ETOT(band)= 0.000088 trlgG= -0.006653 logG= -0.005794 TDE= -0.044252 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009587 tlogG= -0.007657 logG= -0.017244 Density= 0.137363 ETOT(band)= -0.000604 trlgG= -0.020946 logG= -0.017244 TDE= -0.133811 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009579 tlogG= -0.007570 logG= -0.017150 Density= 0.137245 ETOT(band)= -0.000538 trlgG= -0.020801 logG= -0.017150 TDE= -0.133648 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003191 tlogG= -0.002597 logG= -0.005788 Density= 0.045610 ETOT(band)= -0.000286 trlgG= -0.007095 logG= -0.005788 TDE= -0.044508 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009516 tlogG= -0.007549 logG= -0.017065 Density= 0.137847 ETOT(band)= 0.001036 trlgG= -0.018871 logG= -0.017065 TDE= -0.132373 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009597 tlogG= -0.006837 logG= -0.016434 Density= 0.138268 ETOT(band)= 0.000599 trlgG= -0.019068 logG= -0.016434 TDE= -0.133600 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009566 tlogG= -0.007496 logG= -0.017062 Density= 0.137268 ETOT(band)= -0.000170 trlgG= -0.020315 logG= -0.017062 TDE= -0.133272 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009879 tlogG= -0.007170 logG= -0.017049 Density= 0.148436 ETOT(band)= 0.009465 trlgG= -0.011254 logG= -0.017049 TDE= -0.134802 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009678 tlogG= -0.005854 logG= -0.015532 Density= 0.134485 ETOT(band)= -0.002889 trlgG= -0.021617 logG= -0.015532 TDE= -0.133468 logGD-logG0= -0.009815 tlogG= -0.007580 logG= -0.017395 logGD-logG0= -0.009814 tlogG= -0.006659 logG= -0.016473 Density= 0.150029 ETOT(band)= 0.011306 trlgG= -0.009788 logG= -0.017395 TDE= -0.134498 Density= 0.141451 ETOT(band)= 0.002890 trlgG= -0.017009 logG= -0.016473 TDE= -0.134518 logGD-logG0= -0.009573 tlogG= -0.006705 logG= -0.016278 Density= 0.138073 ETOT(band)= 0.000890 trlgG= -0.018561 logG= -0.016278 TDE= -0.133065 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009547 tlogG= -0.007524 logG= -0.017071 Density= 0.137477 ETOT(band)= 0.000209 trlgG= -0.019859 logG= -0.017071 TDE= -0.133004 logGD-logG0= -0.004841 tlogG= -0.003209 logG= -0.008050 Density= 0.067911 ETOT(band)= -0.001175 trlgG= -0.010848 logG= -0.008050 TDE= -0.067123 logGD-logG0= -0.009688 tlogG= -0.006500 logG= -0.016188 Density= 0.139974 ETOT(band)= 0.002629 trlgG= -0.016710 logG= -0.016188 TDE= -0.133105 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009743 tlogG= -0.006669 logG= -0.016412 Density= 0.143215 ETOT(band)= 0.006057 trlgG= -0.013632 logG= -0.016412 TDE= -0.132872 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009668 tlogG= -0.006305 logG= -0.015972 Density= 0.138571 ETOT(band)= 0.001024 trlgG= -0.018114 logG= -0.015972 TDE= -0.133395 logGD-logG0= -0.009605 tlogG= -0.006798 logG= -0.016403 Density= 0.138190 ETOT(band)= 0.000606 trlgG= -0.019066 logG= -0.016403 TDE= -0.133555 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009600 tlogG= -0.007015 logG= -0.016615 Density= 0.138757 ETOT(band)= 0.001455 trlgG= -0.018177 logG= -0.016615 TDE= -0.132991 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009550 tlogG= -0.006974 logG= -0.016524 Density= 0.139201 ETOT(band)= 0.002632 trlgG= -0.016684 logG= -0.016524 TDE= -0.132011 logGD-logG0= -0.009589 tlogG= -0.007036 logG= -0.016624 Density= 0.137947 ETOT(band)= 0.000204 trlgG= -0.019661 logG= -0.016624 TDE= -0.133699 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009651 tlogG= -0.006117 logG= -0.015768 Density= 0.138078 ETOT(band)= 0.000551 trlgG= -0.018447 logG= -0.015768 TDE= -0.133466 logGD-logG0= -0.004864 tlogG= -0.002682 logG= -0.007546 Density= 0.065474 ETOT(band)= -0.002818 trlgG= -0.011839 logG= -0.007546 TDE= -0.066309 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009637 tlogG= -0.005797 logG= -0.015434 Density= 0.136921 ETOT(band)= -0.000069 trlgG= -0.018727 logG= -0.015434 TDE= -0.132984 logGD-logG0= -0.009694 tlogG= -0.006226 logG= -0.015919 Density= 0.136183 ETOT(band)= -0.001635 trlgG= -0.020829 logG= -0.015919 TDE= -0.133901 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019658 tlogG= -0.013080 logG= -0.032737 Density= 0.282666 ETOT(band)= 0.005050 trlgG= -0.034642 logG= -0.032737 TDE= -0.269643 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019173 tlogG= -0.014071 logG= -0.033243 Density= 0.276050 ETOT(band)= 0.001013 trlgG= -0.038580 logG= -0.033243 TDE= -0.266809 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019389 tlogG= -0.011240 logG= -0.030630 Density= 0.271068 ETOT(band)= -0.003349 trlgG= -0.040325 logG= -0.030630 TDE= -0.266449 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009848 tlogG= -0.006664 logG= -0.016512 logGD-logG0= -0.019271 tlogG= -0.012285 logG= -0.031556 Density= 0.141633 ETOT(band)= 0.002543 trlgG= -0.017488 logG= -0.016512 TDE= -0.135130 Density= 0.278056 ETOT(band)= 0.003226 trlgG= -0.034921 logG= -0.031556 TDE= -0.266738 logGD-logG0= -0.019495 tlogG= -0.012347 logG= -0.031842 Density= 0.280146 ETOT(band)= 0.004788 trlgG= -0.033745 logG= -0.031842 TDE= -0.267255 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019116 tlogG= -0.014108 logG= -0.033224 Density= 0.276637 ETOT(band)= 0.002741 trlgG= -0.036443 logG= -0.033224 TDE= -0.265248 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019279 tlogG= -0.012573 logG= -0.031852 Density= 0.278138 ETOT(band)= 0.003599 trlgG= -0.034687 logG= -0.031852 TDE= -0.266285 logGD-logG0= -0.019410 tlogG= -0.012116 logG= -0.031526 logGD-logG0= -0.019224 tlogG= -0.012639 logG= -0.031863 Density= 0.271220 ETOT(band)= -0.004461 trlgG= -0.042542 logG= -0.031526 TDE= -0.267914 Density= 0.278780 ETOT(band)= 0.005412 trlgG= -0.032462 logG= -0.031863 TDE= -0.264657 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019285 tlogG= -0.012430 logG= -0.031715 Density= 0.278319 ETOT(band)= 0.003198 trlgG= -0.035153 logG= -0.031715 TDE= -0.267060 logGD-logG0= -0.019788 tlogG= -0.012892 logG= -0.032680 Density= 0.289541 ETOT(band)= 0.013925 trlgG= -0.025626 logG= -0.032680 TDE= -0.267197 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019396 tlogG= -0.011818 logG= -0.031214 Density= 0.274831 ETOT(band)= -0.000240 trlgG= -0.037820 logG= -0.031214 TDE= -0.266924 logGD-logG0= -0.019509 tlogG= -0.010738 logG= -0.030248 Density= 0.275054 ETOT(band)= 0.000849 trlgG= -0.035891 logG= -0.030248 TDE= -0.266173 logGD-logG0= -0.009751 tlogG= -0.005139 logG= -0.014890 logGD-logG0= -0.004933 tlogG= -0.003587 logG= -0.008520 Density= 0.075107 ETOT(band)= 0.005102 trlgG= -0.005248 logG= -0.008520 TDE= -0.067868 Density= 0.129640 ETOT(band)= -0.006875 trlgG= -0.024718 logG= -0.014890 TDE= -0.132622 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009774 tlogG= -0.005328 logG= -0.015102 logGD-logG0= -0.019524 tlogG= -0.010572 logG= -0.030096 Density= 0.138637 ETOT(band)= 0.001222 trlgG= -0.017186 logG= -0.015102 TDE= -0.133400 Density= 0.262673 ETOT(band)= -0.010522 trlgG= -0.046646 logG= -0.030096 TDE= -0.265352 logGD-logG0= -0.019216 tlogG= -0.011960 logG= -0.031177 Density= 0.276720 ETOT(band)= 0.003198 trlgG= -0.034372 logG= -0.031177 TDE= -0.265302 logGD-logG0= -0.019471 tlogG= -0.010803 logG= -0.030274 Density= 0.271442 ETOT(band)= -0.001720 trlgG= -0.038131 logG= -0.030274 TDE= -0.264964 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019577 tlogG= -0.012249 logG= -0.031827 Density= 0.278827 ETOT(band)= 0.002200 trlgG= -0.036372 logG= -0.031827 TDE= -0.268648 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019480 tlogG= -0.010983 logG= -0.030463 Density= 0.271441 ETOT(band)= -0.003557 trlgG= -0.040224 logG= -0.030463 TDE= -0.266868 logGD-logG0= -0.019543 tlogG= -0.011471 logG= -0.031014 Density= 0.276666 ETOT(band)= 0.001441 trlgG= -0.036146 logG= -0.031014 TDE= -0.267188 logGD-logG0= -0.009708 tlogG= -0.005688 logG= -0.015396 Density= 0.133667 ETOT(band)= -0.003651 trlgG= -0.022178 logG= -0.015396 TDE= -0.133390 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009912 tlogG= -0.006056 logG= -0.015968 Density= 0.143592 ETOT(band)= 0.005594 trlgG= -0.013801 logG= -0.015968 TDE= -0.133843 logGD-logG0= -0.000393 tlogG= 0.008503 logG= 0.008110 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.005743 ETOT(band)= 0.000065 trlgG= 0.008060 logG= 0.008110 TDE= -0.005490 logGD-logG0= -0.019565 tlogG= -0.010478 logG= -0.030043 Density= 0.265290 ETOT(band)= -0.008811 trlgG= -0.044916 logG= -0.030043 TDE= -0.266154 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009740 tlogG= -0.005453 logG= -0.015193 logGD-logG0= -0.009725 tlogG= -0.005697 logG= -0.015422 Density= 0.136041 ETOT(band)= -0.001615 trlgG= -0.020159 logG= -0.015422 TDE= -0.133593 Density= 0.136627 ETOT(band)= -0.000826 trlgG= -0.019086 logG= -0.015193 TDE= -0.133305 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009725 tlogG= -0.005324 logG= -0.015049 Density= 0.136343 ETOT(band)= -0.001007 trlgG= -0.019090 logG= -0.015049 TDE= -0.133183 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004866 tlogG= -0.002747 logG= -0.007613 Density= 0.068662 ETOT(band)= -0.000130 trlgG= -0.009326 logG= -0.007613 TDE= -0.066749 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002371 tlogG= -0.002381 logG= -0.004753 Density= 0.034961 ETOT(band)= 0.000887 trlgG= -0.004580 logG= -0.004753 TDE= -0.032942 logGD-logG0= -0.002470 tlogG= -0.001875 logG= -0.004345 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.037156 ETOT(band)= 0.002676 trlgG= -0.002555 logG= -0.004345 TDE= -0.033403 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009571 tlogG= -0.007592 logG= -0.017163 Density= 0.138072 ETOT(band)= 0.001575 trlgG= -0.018396 logG= -0.017163 TDE= -0.132014 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009511 tlogG= -0.008141 logG= -0.017652 Density= 0.139206 ETOT(band)= 0.003086 trlgG= -0.017286 logG= -0.017652 TDE= -0.131488 logGD-logG0= -0.009529 tlogG= -0.007921 logG= -0.017450 Density= 0.138956 ETOT(band)= 0.002721 trlgG= -0.017399 logG= -0.017450 TDE= -0.131567 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009539 tlogG= -0.008558 logG= -0.018097 Density= 0.140998 ETOT(band)= 0.004685 trlgG= -0.016311 logG= -0.018097 TDE= -0.131767 logGD-logG0= -0.009802 tlogG= -0.007256 logG= -0.017058 logGD-logG0= -0.002415 tlogG= -0.001994 logG= -0.004409 Density= 0.035793 ETOT(band)= 0.001639 trlgG= -0.003521 logG= -0.004409 TDE= -0.033016 Density= 0.144880 ETOT(band)= 0.007932 trlgG= -0.012314 logG= -0.017058 TDE= -0.132485 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009588 tlogG= -0.007452 logG= -0.017040 Density= 0.140984 ETOT(band)= 0.004758 trlgG= -0.015207 logG= -0.017040 TDE= -0.131707 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009583 tlogG= -0.007038 logG= -0.016622 Density= 0.139590 ETOT(band)= 0.003648 trlgG= -0.015774 logG= -0.016622 TDE= -0.131371 logGD-logG0= -0.004757 tlogG= -0.004094 logG= -0.008852 Density= 0.070072 ETOT(band)= 0.002018 trlgG= -0.008231 logG= -0.008852 TDE= -0.065751 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009752 tlogG= -0.005501 logG= -0.015254 Density= 0.133535 ETOT(band)= -0.002569 trlgG= -0.020894 logG= -0.015254 TDE= -0.132124 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009628 tlogG= -0.006530 logG= -0.016157 Density= 0.137892 ETOT(band)= 0.001626 trlgG= -0.017643 logG= -0.016157 TDE= -0.132096 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004849 tlogG= -0.002902 logG= -0.007751 Density= 0.068441 ETOT(band)= 0.000594 trlgG= -0.008632 logG= -0.007751 TDE= -0.065708 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019065 tlogG= -0.016040 logG= -0.035105 logGD-logG0= -0.009478 tlogG= -0.009191 logG= -0.018670 Density= 0.280787 ETOT(band)= 0.008455 trlgG= -0.032264 logG= -0.035105 TDE= -0.263118 Density= 0.139943 ETOT(band)= 0.003668 trlgG= -0.017807 logG= -0.018670 TDE= -0.131691 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009627 tlogG= -0.007633 logG= -0.017259 Density= 0.142407 ETOT(band)= 0.006002 trlgG= -0.014228 logG= -0.017259 TDE= -0.131856 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009937 tlogG= -0.006753 logG= -0.016690 Density= 0.146118 ETOT(band)= 0.008737 trlgG= -0.011460 logG= -0.016690 TDE= -0.133172 logGD-logG0= -0.019375 tlogG= -0.013459 logG= -0.032834 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.284142 ETOT(band)= 0.011275 trlgG= -0.027710 logG= -0.032834 TDE= -0.264013 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009740 tlogG= -0.005265 logG= -0.015005 Density= 0.129419 ETOT(band)= -0.006367 trlgG= -0.024303 logG= -0.015005 TDE= -0.131883 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019175 tlogG= -0.014306 logG= -0.033482 Density= 0.278132 ETOT(band)= 0.005771 trlgG= -0.033255 logG= -0.033482 TDE= -0.263217 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009793 tlogG= -0.005803 logG= -0.015595 Density= 0.140526 ETOT(band)= 0.004087 trlgG= -0.014749 logG= -0.015595 TDE= -0.132259 logGD-logG0= -0.009615 tlogG= -0.006795 logG= -0.016410 Density= 0.140816 ETOT(band)= 0.004841 trlgG= -0.014550 logG= -0.016410 TDE= -0.131520 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019344 tlogG= -0.012000 logG= -0.031343 Density= 0.277061 ETOT(band)= 0.005062 trlgG= -0.032307 logG= -0.031343 TDE= -0.263394 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003179 tlogG= 0.068838 logG= 0.065659 Density= 0.046420 ETOT(band)= 0.001013 trlgG= 0.065773 logG= 0.065659 TDE= -0.043854 logGD-logG0= -0.003160 tlogG= 0.068440 logG= 0.065280 Density= 0.046366 ETOT(band)= 0.000927 trlgG= 0.065294 logG= 0.065280 TDE= -0.043903 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002361 tlogG= 0.051134 logG= 0.048772 Density= 0.034594 ETOT(band)= 0.000521 trlgG= 0.048598 logG= 0.048772 TDE= -0.032941 logGD-logG0= -0.003148 tlogG= 0.068151 logG= 0.065004 Density= 0.046049 ETOT(band)= 0.000634 trlgG= 0.064703 logG= 0.065004 TDE= -0.043918 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004728 tlogG= 0.102486 logG= 0.097758 logGD-logG0= -0.009511 tlogG= 0.206048 logG= 0.196537 Density= 0.139496 ETOT(band)= 0.003281 trlgG= 0.197021 logG= 0.196537 TDE= -0.131646 Density= 0.069405 ETOT(band)= 0.001253 trlgG= 0.097628 logG= 0.097758 TDE= -0.065871 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009473 tlogG= 0.205344 logG= 0.195871 Density= 0.139052 ETOT(band)= 0.002803 trlgG= 0.195849 logG= 0.195871 TDE= -0.131731 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009533 tlogG= 0.206413 logG= 0.196880 Density= 0.139783 ETOT(band)= 0.003542 trlgG= 0.197652 logG= 0.196880 TDE= -0.131630 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 3.79022058121837 eV TrLogG= -12.7507346825543 eV Ratio to renormalize= 0.999999999742 rho-rho_expected= 0.000000004132 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 30) Finished k-point number 31 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 23) Finished k-point number 24 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 35) Finished k-point number 36 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 56) Finished k-point number 57 1 with #bands= 18 49) Finished k-point number 50 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 95) Finished k-point number 96 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 77) Finished k-point number 78 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.932080412357612 0.928724312380848 7) Finished k-point number 8 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 28) Finished k-point number 29 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 10) Finished k-point number 11 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 20) Finished k-point number 21 1 with #bands= 26 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 12.8872108478356 Density= 15.9610839593776 16.0000000000000 EF 13.1593246799492 Density= 16.4508521850980 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96719261 0.94719261 0.450852 -0.389160E-01 1 0.95719261 0.94719263 0.211149 -0.389160E-01 2 0.95219262 0.94719238 0.885895E-01 -0.389160E-01 3 0.94969250 0.94719251 0.256687E-01 -0.389160E-01 4 0.94869088 0.94719251 0.118162E-04 -0.389160E-01 5 0.94869042 0.94719251 0.730100E-09 -0.389160E-01 6 0.94869042 0.94869042 -0.184564E-08 0.730100E-09 7 0.94869042 0.94869042 -0.184564E-08 0.730100E-09 Absolute convergence of the X interval. Difference in EF= 0.0203787296 EF set to : 12.9075895774 new EF (no-mixing): 12.9075895774 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001224 tlogG= -0.001249 logG= -0.002473 Density= 0.019077 ETOT(band)= 0.001291 trlgG= -0.001637 logG= -0.002473 TDE= -0.017262 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009767 tlogG= -0.009537 logG= -0.019304 Density= 0.152506 ETOT(band)= 0.010578 trlgG= -0.012372 logG= -0.019304 TDE= -0.137748 logGD-logG0= -0.002440 tlogG= -0.002405 logG= -0.004845 Density= 0.038105 ETOT(band)= 0.002678 trlgG= -0.003082 logG= -0.004845 TDE= -0.034386 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004880 tlogG= -0.004621 logG= -0.009501 Density= 0.076229 ETOT(band)= 0.005371 trlgG= -0.005955 logG= -0.009501 TDE= -0.068771 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002444 tlogG= -0.002082 logG= -0.004527 Density= 0.037723 ETOT(band)= 0.002784 trlgG= -0.002707 logG= -0.004527 TDE= -0.033968 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001599 tlogG= -0.001349 logG= -0.002948 Density= 0.022874 ETOT(band)= -0.000127 trlgG= -0.003569 logG= -0.002948 TDE= -0.022321 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004899 tlogG= -0.004200 logG= -0.009099 Density= 0.075929 ETOT(band)= 0.005450 trlgG= -0.005543 logG= -0.009099 TDE= -0.068477 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009795 tlogG= -0.008075 logG= -0.017870 logGD-logG0= -0.009798 tlogG= -0.008681 logG= -0.018479 Density= 0.151697 ETOT(band)= 0.011173 trlgG= -0.011093 logG= -0.018479 TDE= -0.136528 Density= 0.151477 ETOT(band)= 0.011076 trlgG= -0.010566 logG= -0.017870 TDE= -0.136401 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009803 tlogG= -0.006766 logG= -0.016569 Density= 0.142494 ETOT(band)= 0.003420 trlgG= -0.016703 logG= -0.016569 TDE= -0.135317 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009809 tlogG= -0.008813 logG= -0.018622 Density= 0.152078 ETOT(band)= 0.011095 trlgG= -0.011270 logG= -0.018622 TDE= -0.136923 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009773 tlogG= -0.007818 logG= -0.017591 Density= 0.150886 ETOT(band)= 0.011538 trlgG= -0.009794 logG= -0.017591 TDE= -0.135347 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019589 tlogG= -0.015927 logG= -0.035516 Density= 0.303071 ETOT(band)= 0.022039 trlgG= -0.021024 logG= -0.035516 TDE= -0.273029 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019580 tlogG= -0.014814 logG= -0.034394 Density= 0.300866 ETOT(band)= 0.021926 trlgG= -0.019817 logG= -0.034394 TDE= -0.270851 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009821 tlogG= -0.006659 logG= -0.016480 Density= 0.147684 ETOT(band)= 0.008567 trlgG= -0.011569 logG= -0.016480 TDE= -0.135195 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003175 tlogG= -0.002614 logG= -0.005790 Density= 0.045785 ETOT(band)= 0.000133 trlgG= -0.006612 logG= -0.005790 TDE= -0.044258 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003192 tlogG= -0.002591 logG= -0.005783 Density= 0.045580 ETOT(band)= -0.000246 trlgG= -0.007057 logG= -0.005783 TDE= -0.044515 logGD-logG0= -0.003149 tlogG= -0.002659 logG= -0.005808 Density= 0.046024 ETOT(band)= 0.000608 trlgG= -0.006084 logG= -0.005808 TDE= -0.043938 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009589 tlogG= -0.007642 logG= -0.017231 Density= 0.137282 ETOT(band)= -0.000473 trlgG= -0.020828 logG= -0.017231 TDE= -0.133836 logGD-logG0= -0.009581 tlogG= -0.007555 logG= -0.017136 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137164 ETOT(band)= -0.000407 trlgG= -0.020682 logG= -0.017136 TDE= -0.133672 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009567 tlogG= -0.007477 logG= -0.017045 Density= 0.137187 ETOT(band)= -0.000039 trlgG= -0.020192 logG= -0.017045 TDE= -0.133295 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009598 tlogG= -0.006819 logG= -0.016417 Density= 0.138216 ETOT(band)= 0.000753 trlgG= -0.018924 logG= -0.016417 TDE= -0.133631 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009883 tlogG= -0.007172 logG= -0.017054 Density= 0.148364 ETOT(band)= 0.009598 trlgG= -0.011153 logG= -0.017054 TDE= -0.134850 logGD-logG0= -0.009517 tlogG= -0.007535 logG= -0.017051 Density= 0.137775 ETOT(band)= 0.001178 trlgG= -0.018739 logG= -0.017051 TDE= -0.132393 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009821 tlogG= -0.006646 logG= -0.016467 Density= 0.141584 ETOT(band)= 0.003211 trlgG= -0.016709 logG= -0.016467 TDE= -0.134561 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009574 tlogG= -0.006691 logG= -0.016265 Density= 0.138016 ETOT(band)= 0.001042 trlgG= -0.018425 logG= -0.016265 TDE= -0.133093 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009691 tlogG= -0.006489 logG= -0.016180 Density= 0.139997 ETOT(band)= 0.002851 trlgG= -0.016507 logG= -0.016180 TDE= -0.133140 logGD-logG0= -0.009819 tlogG= -0.007583 logG= -0.017403 Density= 0.149903 ETOT(band)= 0.011389 trlgG= -0.009737 logG= -0.017403 TDE= -0.134546 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009591 tlogG= -0.007021 logG= -0.016612 Density= 0.137886 ETOT(band)= 0.000351 trlgG= -0.019530 logG= -0.016612 TDE= -0.133729 logGD-logG0= -0.009550 tlogG= -0.006961 logG= -0.016512 Density= 0.139167 ETOT(band)= 0.002805 trlgG= -0.016522 logG= -0.016512 TDE= -0.132036 logGD-logG0= -0.009548 tlogG= -0.007508 logG= -0.017057 logGD-logG0= -0.009638 tlogG= -0.005782 logG= -0.015420 logGD-logG0= -0.004843 tlogG= -0.003200 logG= -0.008043 Density= 0.136908 ETOT(band)= 0.000121 trlgG= -0.018551 logG= -0.015420 TDE= -0.133014 Density= 0.137397 ETOT(band)= 0.000344 trlgG= -0.019736 logG= -0.017057 TDE= -0.133027 Density= 0.067865 ETOT(band)= -0.001116 trlgG= -0.010797 logG= -0.008043 TDE= -0.067137 logGD-logG0= -0.009607 tlogG= -0.006784 logG= -0.016391 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138139 ETOT(band)= 0.000761 trlgG= -0.018926 logG= -0.016391 TDE= -0.133586 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009653 tlogG= -0.006103 logG= -0.015756 logGD-logG0= -0.009600 tlogG= -0.006999 logG= -0.016599 Density= 0.138060 ETOT(band)= 0.000737 trlgG= -0.018278 logG= -0.015756 TDE= -0.133499 Density= 0.138712 ETOT(band)= 0.001619 trlgG= -0.018024 logG= -0.016599 TDE= -0.133020 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009747 tlogG= -0.006663 logG= -0.016410 Density= 0.143267 ETOT(band)= 0.006305 trlgG= -0.013404 logG= -0.016410 TDE= -0.132910 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009670 tlogG= -0.006292 logG= -0.015962 Density= 0.138561 ETOT(band)= 0.001217 trlgG= -0.017940 logG= -0.015962 TDE= -0.133429 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009680 tlogG= -0.005837 logG= -0.015517 Density= 0.134396 ETOT(band)= -0.002769 trlgG= -0.021510 logG= -0.015517 TDE= -0.133493 logGD-logG0= -0.004864 tlogG= -0.002673 logG= -0.007537 Density= 0.065480 ETOT(band)= -0.002712 trlgG= -0.011736 logG= -0.007537 TDE= -0.066320 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019676 tlogG= -0.013056 logG= -0.032731 logGD-logG0= -0.009697 tlogG= -0.006208 logG= -0.015905 Density= 0.136117 ETOT(band)= -0.001493 trlgG= -0.020700 logG= -0.015905 TDE= -0.133928 Density= 0.282980 ETOT(band)= 0.005738 trlgG= -0.034003 logG= -0.032731 TDE= -0.269732 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019176 tlogG= -0.014038 logG= -0.033214 Density= 0.275929 ETOT(band)= 0.001310 trlgG= -0.038309 logG= -0.033214 TDE= -0.266866 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009858 tlogG= -0.006651 logG= -0.016509 logGD-logG0= -0.019391 tlogG= -0.011206 logG= -0.030597 Density= 0.141821 ETOT(band)= 0.002916 trlgG= -0.017141 logG= -0.016509 TDE= -0.135176 Density= 0.271087 ETOT(band)= -0.002929 trlgG= -0.039930 logG= -0.030597 TDE= -0.266510 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019284 tlogG= -0.012554 logG= -0.031838 Density= 0.278106 ETOT(band)= 0.003976 trlgG= -0.034352 logG= -0.031838 TDE= -0.266351 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019225 tlogG= -0.012613 logG= -0.031837 Density= 0.278766 ETOT(band)= 0.005802 trlgG= -0.032094 logG= -0.031837 TDE= -0.264719 logGD-logG0= -0.019275 tlogG= -0.012258 logG= -0.031533 Density= 0.278031 ETOT(band)= 0.003605 trlgG= -0.034573 logG= -0.031533 TDE= -0.266805 logGD-logG0= -0.019512 tlogG= -0.010708 logG= -0.030220 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.275553 ETOT(band)= 0.001719 trlgG= -0.035047 logG= -0.030220 TDE= -0.266242 logGD-logG0= -0.019400 tlogG= -0.011787 logG= -0.031187 logGD-logG0= -0.019799 tlogG= -0.012882 logG= -0.032682 Density= 0.289641 ETOT(band)= 0.014417 trlgG= -0.025183 logG= -0.032682 TDE= -0.267281 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019504 tlogG= -0.012323 logG= -0.031827 Density= 0.280275 ETOT(band)= 0.005304 trlgG= -0.033265 logG= -0.031827 TDE= -0.267332 Density= 0.274838 ETOT(band)= 0.000168 trlgG= -0.037441 logG= -0.031187 TDE= -0.266991 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019290 tlogG= -0.012404 logG= -0.031694 Density= 0.278298 ETOT(band)= 0.003581 trlgG= -0.034804 logG= -0.031694 TDE= -0.267129 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019521 tlogG= -0.010535 logG= -0.030056 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.262883 ETOT(band)= -0.009930 trlgG= -0.046068 logG= -0.030056 TDE= -0.265406 logGD-logG0= -0.004935 tlogG= -0.003588 logG= -0.008524 Density= 0.075071 ETOT(band)= 0.005170 trlgG= -0.005198 logG= -0.008524 TDE= -0.067893 logGD-logG0= -0.019117 tlogG= -0.014087 logG= -0.033204 Density= 0.276514 ETOT(band)= 0.003041 trlgG= -0.036175 logG= -0.033204 TDE= -0.265298 logGD-logG0= -0.019588 tlogG= -0.012223 logG= -0.031811 Density= 0.278955 ETOT(band)= 0.002715 trlgG= -0.035899 logG= -0.031811 TDE= -0.268730 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019416 tlogG= -0.012081 logG= -0.031497 Density= 0.271063 ETOT(band)= -0.004206 trlgG= -0.042312 logG= -0.031497 TDE= -0.267970 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009755 tlogG= -0.005111 logG= -0.014866 Density= 0.129811 ETOT(band)= -0.006522 trlgG= -0.024364 logG= -0.014866 TDE= -0.132649 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009711 tlogG= -0.005671 logG= -0.015382 Density= 0.133613 ETOT(band)= -0.003497 trlgG= -0.022039 logG= -0.015382 TDE= -0.133415 logGD-logG0= -0.019217 tlogG= -0.011934 logG= -0.031151 Density= 0.276682 ETOT(band)= 0.003567 trlgG= -0.034027 logG= -0.031151 TDE= -0.265362 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009775 tlogG= -0.005319 logG= -0.015094 logGD-logG0= -0.009918 tlogG= -0.006049 logG= -0.015967 Density= 0.138871 ETOT(band)= 0.001641 trlgG= -0.016784 logG= -0.015094 TDE= -0.133437 Density= 0.143687 ETOT(band)= 0.005880 trlgG= -0.013537 logG= -0.015967 TDE= -0.133884 logGD-logG0= -0.019468 tlogG= -0.010778 logG= -0.030247 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.271924 ETOT(band)= -0.000871 trlgG= -0.037306 logG= -0.030247 TDE= -0.265031 logGD-logG0= -0.019549 tlogG= -0.011442 logG= -0.030991 Density= 0.276808 ETOT(band)= 0.001967 trlgG= -0.035648 logG= -0.030991 TDE= -0.267261 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019483 tlogG= -0.010958 logG= -0.030441 Density= 0.271551 ETOT(band)= -0.003048 trlgG= -0.039751 logG= -0.030441 TDE= -0.266928 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019561 tlogG= -0.010448 logG= -0.030009 Density= 0.265587 ETOT(band)= -0.008130 trlgG= -0.044261 logG= -0.030009 TDE= -0.266212 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009741 tlogG= -0.005439 logG= -0.015179 Density= 0.136654 ETOT(band)= -0.000598 trlgG= -0.018871 logG= -0.015179 TDE= -0.133334 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009727 tlogG= -0.005683 logG= -0.015410 Density= 0.136004 ETOT(band)= -0.001445 trlgG= -0.020004 logG= -0.015410 TDE= -0.133620 logGD-logG0= -0.009726 tlogG= -0.005309 logG= -0.015035 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136349 ETOT(band)= -0.000797 trlgG= -0.018891 logG= -0.015035 TDE= -0.133209 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000393 tlogG= 0.008517 logG= 0.008125 Density= 0.005740 ETOT(band)= 0.000071 trlgG= 0.008079 logG= 0.008125 TDE= -0.005491 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.004867 tlogG= -0.002739 logG= -0.007606 Density= 0.068650 ETOT(band)= -0.000041 trlgG= -0.009243 logG= -0.007606 TDE= -0.066765 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002470 tlogG= -0.001876 logG= -0.004347 Density= 0.037140 ETOT(band)= 0.002712 trlgG= -0.002527 logG= -0.004347 TDE= -0.033414 logGD-logG0= -0.002371 tlogG= -0.002379 logG= -0.004750 Density= 0.034950 ETOT(band)= 0.000930 trlgG= -0.004542 logG= -0.004750 TDE= -0.032949 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009572 tlogG= -0.007580 logG= -0.017152 Density= 0.138001 ETOT(band)= 0.001719 trlgG= -0.018265 logG= -0.017152 TDE= -0.132033 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009539 tlogG= -0.008549 logG= -0.018088 Density= 0.140981 ETOT(band)= 0.004875 trlgG= -0.016137 logG= -0.018088 TDE= -0.131796 logGD-logG0= -0.009512 tlogG= -0.008131 logG= -0.017643 Density= 0.139153 ETOT(band)= 0.003248 trlgG= -0.017141 logG= -0.017643 TDE= -0.131511 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009529 tlogG= -0.007907 logG= -0.017436 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.138901 ETOT(band)= 0.002880 trlgG= -0.017250 logG= -0.017436 TDE= -0.131588 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004757 tlogG= -0.004088 logG= -0.008845 logGD-logG0= -0.002416 tlogG= -0.001992 logG= -0.004408 Density= 0.070054 ETOT(band)= 0.002105 trlgG= -0.008150 logG= -0.008845 TDE= -0.065764 Density= 0.035798 ETOT(band)= 0.001695 trlgG= -0.003471 logG= -0.004408 TDE= -0.033024 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009806 tlogG= -0.007252 logG= -0.017058 Density= 0.144909 ETOT(band)= 0.008161 trlgG= -0.012107 logG= -0.017058 TDE= -0.132524 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009589 tlogG= -0.007443 logG= -0.017032 Density= 0.140981 ETOT(band)= 0.004960 trlgG= -0.015023 logG= -0.017032 TDE= -0.131738 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009585 tlogG= -0.007028 logG= -0.016612 Density= 0.139553 ETOT(band)= 0.003823 trlgG= -0.015615 logG= -0.016612 TDE= -0.131396 logGD-logG0= -0.009629 tlogG= -0.006516 logG= -0.016146 Density= 0.137826 ETOT(band)= 0.001770 trlgG= -0.017512 logG= -0.016146 TDE= -0.132120 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009752 tlogG= -0.005486 logG= -0.015238 Density= 0.133616 ETOT(band)= -0.002293 trlgG= -0.020627 logG= -0.015238 TDE= -0.132149 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019064 tlogG= -0.016019 logG= -0.035083 Density= 0.280731 ETOT(band)= 0.008818 trlgG= -0.031929 logG= -0.035083 TDE= -0.263174 logGD-logG0= -0.004850 tlogG= -0.002896 logG= -0.007746 Density= 0.068456 ETOT(band)= 0.000709 trlgG= -0.008523 logG= -0.007746 TDE= -0.065721 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009477 tlogG= -0.009181 logG= -0.018658 Density= 0.139900 ETOT(band)= 0.003838 trlgG= -0.017652 logG= -0.018658 TDE= -0.131716 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009628 tlogG= -0.007626 logG= -0.017254 Density= 0.142421 ETOT(band)= 0.006219 trlgG= -0.014030 logG= -0.017254 TDE= -0.131889 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019379 tlogG= -0.013443 logG= -0.032822 Density= 0.284211 ETOT(band)= 0.011742 trlgG= -0.027278 logG= -0.032822 TDE= -0.264083 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009747 tlogG= -0.005241 logG= -0.014987 Density= 0.129596 ETOT(band)= -0.006006 trlgG= -0.023949 logG= -0.014987 TDE= -0.131908 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009939 tlogG= -0.006755 logG= -0.016694 Density= 0.146116 ETOT(band)= 0.008936 trlgG= -0.011289 logG= -0.016694 TDE= -0.133214 logGD-logG0= -0.019175 tlogG= -0.014280 logG= -0.033455 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.278042 ETOT(band)= 0.006102 trlgG= -0.032942 logG= -0.033455 TDE= -0.263262 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019343 tlogG= -0.011973 logG= -0.031316 Density= 0.277035 ETOT(band)= 0.005442 trlgG= -0.031946 logG= -0.031316 TDE= -0.263449 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009795 tlogG= -0.005795 logG= -0.015590 Density= 0.140658 ETOT(band)= 0.004409 trlgG= -0.014446 logG= -0.015590 TDE= -0.132298 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009616 tlogG= -0.006787 logG= -0.016403 Density= 0.140810 ETOT(band)= 0.005041 trlgG= -0.014366 logG= -0.016403 TDE= -0.131549 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002361 tlogG= 0.051222 logG= 0.048860 logGD-logG0= -0.003179 tlogG= 0.068956 logG= 0.065777 Density= 0.046401 ETOT(band)= 0.001066 trlgG= 0.065935 logG= 0.065777 TDE= -0.043862 Density= 0.034576 ETOT(band)= 0.000558 trlgG= 0.048717 logG= 0.048860 TDE= -0.032945 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003147 tlogG= 0.068270 logG= 0.065123 Density= 0.046024 ETOT(band)= 0.000682 trlgG= 0.064862 logG= 0.065123 TDE= -0.043923 logGD-logG0= -0.003159 tlogG= 0.068558 logG= 0.065398 Density= 0.046345 ETOT(band)= 0.000979 trlgG= 0.065456 logG= 0.065398 TDE= -0.043910 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009511 tlogG= 0.206401 logG= 0.196890 Density= 0.139444 ETOT(band)= 0.003443 trlgG= 0.197510 logG= 0.196890 TDE= -0.131669 logGD-logG0= -0.009473 tlogG= 0.205697 logG= 0.196224 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Density= 0.138992 ETOT(band)= 0.002959 trlgG= 0.196333 logG= 0.196224 TDE= -0.131752 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009533 tlogG= 0.206763 logG= 0.197230 Density= 0.139736 ETOT(band)= 0.003710 trlgG= 0.198142 logG= 0.197230 TDE= -0.131654 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004728 tlogG= 0.102663 logG= 0.097935 Density= 0.069373 ETOT(band)= 0.001329 trlgG= 0.097868 logG= 0.097935 TDE= -0.065880 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.10566508526933 eV TrLogG= -12.4401903798834 eV Ratio to renormalize= 0.999999999861 rho-rho_expected= 0.000000002222 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 25) Finished k-point number 26 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 31) Finished k-point number 32 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 62) Finished k-point number 63 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 64) Finished k-point number 65 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 95) Finished k-point number 96 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 102) Finished k-point number 103 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 94) Finished k-point number 95 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931821301666071 0.928459626392734 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 29) Finished k-point number 30 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 19) Finished k-point number 20 1 with #bands= 26 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 12.9075895774096 Density= 15.9734661351695 16.0000000000000 EF 13.1797034095232 Density= 16.4630663628550 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96869042 0.94869042 0.463066 -0.265339E-01 1 0.95869042 0.94869044 0.223433 -0.265339E-01 2 0.95369043 0.94869067 0.100758 -0.265339E-01 3 0.95119055 0.94869079 0.379153E-01 -0.265339E-01 4 0.94994067 0.94869049 0.591985E-02 -0.265339E-01 5 0.94971128 0.94869049 0.290696E-06 -0.265339E-01 6 0.94971127 0.94869049 0.802913E-11 -0.265339E-01 Absolute convergence of |F(X)|. Difference in EF= 0.0138893765 EF set to : 12.9214789539 new EF (no-mixing): 12.9214789539 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001224 tlogG= -0.001250 logG= -0.002474 Density= 0.019066 ETOT(band)= 0.001299 trlgG= -0.001633 logG= -0.002474 TDE= -0.017267 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009771 tlogG= -0.009540 logG= -0.019311 Density= 0.152422 ETOT(band)= 0.010637 trlgG= -0.012341 logG= -0.019311 TDE= -0.137787 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002441 tlogG= -0.002406 logG= -0.004847 Density= 0.038083 ETOT(band)= 0.002692 trlgG= -0.003074 logG= -0.004847 TDE= -0.034396 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004881 tlogG= -0.004623 logG= -0.009504 Density= 0.076186 ETOT(band)= 0.005400 trlgG= -0.005939 logG= -0.009504 TDE= -0.068790 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002445 tlogG= -0.002083 logG= -0.004528 Density= 0.037696 ETOT(band)= 0.002792 trlgG= -0.002704 logG= -0.004528 TDE= -0.033977 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001600 tlogG= -0.001347 logG= -0.002947 Density= 0.022864 ETOT(band)= -0.000112 trlgG= -0.003556 logG= -0.002947 TDE= -0.022324 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004901 tlogG= -0.004202 logG= -0.009103 Density= 0.075885 ETOT(band)= 0.005476 trlgG= -0.005530 logG= -0.009103 TDE= -0.068495 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009801 tlogG= -0.008684 logG= -0.018485 Density= 0.151604 ETOT(band)= 0.011223 trlgG= -0.011070 logG= -0.018485 TDE= -0.136565 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009810 tlogG= -0.006758 logG= -0.016567 Density= 0.142643 ETOT(band)= 0.003694 trlgG= -0.016448 logG= -0.016567 TDE= -0.135350 logGD-logG0= -0.009799 tlogG= -0.008078 logG= -0.017877 Density= 0.151386 ETOT(band)= 0.011128 trlgG= -0.010541 logG= -0.017877 TDE= -0.136437 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009776 tlogG= -0.007820 logG= -0.017596 Density= 0.150792 ETOT(band)= 0.011586 trlgG= -0.009769 logG= -0.017596 TDE= -0.135382 logGD-logG0= -0.009813 tlogG= -0.008816 logG= -0.018629 Density= 0.151990 ETOT(band)= 0.011150 trlgG= -0.011243 logG= -0.018629 TDE= -0.136960 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019585 tlogG= -0.014818 logG= -0.034403 Density= 0.300715 ETOT(band)= 0.022058 trlgG= -0.019730 logG= -0.034403 TDE= -0.270919 logGD-logG0= -0.019596 tlogG= -0.015933 logG= -0.035529 Density= 0.302890 ETOT(band)= 0.022142 trlgG= -0.020973 logG= -0.035529 TDE= -0.273102 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009823 tlogG= -0.006661 logG= -0.016484 Density= 0.147670 ETOT(band)= 0.008688 trlgG= -0.011469 logG= -0.016484 TDE= -0.135228 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003192 tlogG= -0.002587 logG= -0.005780 Density= 0.045559 ETOT(band)= -0.000218 trlgG= -0.007032 logG= -0.005780 TDE= -0.044520 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003149 tlogG= -0.002655 logG= -0.005804 Density= 0.046008 ETOT(band)= 0.000641 trlgG= -0.006053 logG= -0.005804 TDE= -0.043943 logGD-logG0= -0.003176 tlogG= -0.002611 logG= -0.005787 Density= 0.045767 ETOT(band)= 0.000163 trlgG= -0.006584 logG= -0.005787 TDE= -0.044263 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009590 tlogG= -0.007630 logG= -0.017221 Density= 0.137227 ETOT(band)= -0.000384 trlgG= -0.020747 logG= -0.017221 TDE= -0.133853 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009568 tlogG= -0.007467 logG= -0.017035 Density= 0.137132 ETOT(band)= 0.000050 trlgG= -0.020111 logG= -0.017035 TDE= -0.133312 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009581 tlogG= -0.007540 logG= -0.017122 Density= 0.137108 ETOT(band)= -0.000320 trlgG= -0.020598 logG= -0.017122 TDE= -0.133689 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009517 tlogG= -0.007524 logG= -0.017041 Density= 0.137726 ETOT(band)= 0.001274 trlgG= -0.018648 logG= -0.017041 TDE= -0.132408 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009600 tlogG= -0.006809 logG= -0.016408 Density= 0.138181 ETOT(band)= 0.000859 trlgG= -0.018828 logG= -0.016408 TDE= -0.133652 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009886 tlogG= -0.007176 logG= -0.017062 Density= 0.148320 ETOT(band)= 0.009692 trlgG= -0.011083 logG= -0.017062 TDE= -0.134882 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009822 tlogG= -0.007584 logG= -0.017406 logGD-logG0= -0.009692 tlogG= -0.006482 logG= -0.016174 Density= 0.140013 ETOT(band)= 0.003002 trlgG= -0.016367 logG= -0.016174 TDE= -0.133165 Density= 0.149820 ETOT(band)= 0.011448 trlgG= -0.009699 logG= -0.017406 TDE= -0.134578 logGD-logG0= -0.009826 tlogG= -0.006640 logG= -0.016466 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.141677 ETOT(band)= 0.003432 trlgG= -0.016505 logG= -0.016466 TDE= -0.134591 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009549 tlogG= -0.007499 logG= -0.017048 logGD-logG0= -0.009575 tlogG= -0.006680 logG= -0.016255 Density= 0.137344 ETOT(band)= 0.000435 trlgG= -0.019653 logG= -0.017048 TDE= -0.133042 Density= 0.137975 ETOT(band)= 0.001142 trlgG= -0.018331 logG= -0.016255 TDE= -0.133113 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009655 tlogG= -0.006093 logG= -0.015747 Density= 0.138048 ETOT(band)= 0.000863 trlgG= -0.018163 logG= -0.015747 TDE= -0.133522 logGD-logG0= -0.004843 tlogG= -0.003194 logG= -0.008037 Density= 0.067833 ETOT(band)= -0.001078 trlgG= -0.010762 logG= -0.008037 TDE= -0.067147 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009601 tlogG= -0.006991 logG= -0.016592 Density= 0.138680 ETOT(band)= 0.001729 trlgG= -0.017925 logG= -0.016592 TDE= -0.133039 logGD-logG0= -0.009681 tlogG= -0.005825 logG= -0.015506 logGD-logG0= -0.009672 tlogG= -0.006284 logG= -0.015955 Density= 0.138555 ETOT(band)= 0.001349 trlgG= -0.017820 logG= -0.015955 TDE= -0.133452 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.134336 ETOT(band)= -0.002689 trlgG= -0.021436 logG= -0.015506 TDE= -0.133511 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009698 tlogG= -0.006196 logG= -0.015894 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136073 ETOT(band)= -0.001399 trlgG= -0.020612 logG= -0.015894 TDE= -0.133947 logGD-logG0= -0.009592 tlogG= -0.007012 logG= -0.016604 Density= 0.137845 ETOT(band)= 0.000451 trlgG= -0.019441 logG= -0.016604 TDE= -0.133750 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009609 tlogG= -0.006775 logG= -0.016383 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138105 ETOT(band)= 0.000867 trlgG= -0.018831 logG= -0.016383 TDE= -0.133608 logGD-logG0= -0.009551 tlogG= -0.006953 logG= -0.016504 Density= 0.139144 ETOT(band)= 0.002924 trlgG= -0.016412 logG= -0.016504 TDE= -0.132055 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009639 tlogG= -0.005772 logG= -0.015410 Density= 0.136898 ETOT(band)= 0.000247 trlgG= -0.018432 logG= -0.015410 TDE= -0.133035 logGD-logG0= -0.004864 tlogG= -0.002668 logG= -0.007533 Density= 0.065494 ETOT(band)= -0.002630 trlgG= -0.011659 logG= -0.007533 TDE= -0.066327 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009750 tlogG= -0.006660 logG= -0.016410 Density= 0.143302 ETOT(band)= 0.006473 trlgG= -0.013251 logG= -0.016410 TDE= -0.132937 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019688 tlogG= -0.013039 logG= -0.032726 Density= 0.283198 ETOT(band)= 0.006208 trlgG= -0.033563 logG= -0.032726 TDE= -0.269793 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019178 tlogG= -0.014024 logG= -0.033202 logGD-logG0= -0.009865 tlogG= -0.006643 logG= -0.016508 Density= 0.275847 ETOT(band)= 0.001511 trlgG= -0.038133 logG= -0.033202 TDE= -0.266906 Density= 0.141952 ETOT(band)= 0.003171 trlgG= -0.016903 logG= -0.016508 TDE= -0.135208 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019393 tlogG= -0.011184 logG= -0.030577 Density= 0.271098 ETOT(band)= -0.002646 trlgG= -0.039665 logG= -0.030577 TDE= -0.266553 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019509 tlogG= -0.012311 logG= -0.031820 Density= 0.280370 ETOT(band)= 0.005659 trlgG= -0.032935 logG= -0.031820 TDE= -0.267386 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019118 tlogG= -0.014061 logG= -0.033180 Density= 0.276437 ETOT(band)= 0.003250 trlgG= -0.035977 logG= -0.033180 TDE= -0.265333 logGD-logG0= -0.019226 tlogG= -0.012600 logG= -0.031826 Density= 0.278756 ETOT(band)= 0.006067 trlgG= -0.031851 logG= -0.031826 TDE= -0.264763 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019286 tlogG= -0.012537 logG= -0.031823 Density= 0.278087 ETOT(band)= 0.004231 trlgG= -0.034116 logG= -0.031823 TDE= -0.266396 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019806 tlogG= -0.012880 logG= -0.032686 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.289695 ETOT(band)= 0.014738 trlgG= -0.024898 logG= -0.032686 TDE= -0.267338 logGD-logG0= -0.019293 tlogG= -0.012384 logG= -0.031677 Density= 0.278293 ETOT(band)= 0.003848 trlgG= -0.034556 logG= -0.031677 TDE= -0.267177 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000393 tlogG= 0.008527 logG= 0.008135 Density= 0.005738 ETOT(band)= 0.000075 trlgG= 0.008093 logG= 0.008135 TDE= -0.005491 logGD-logG0= -0.019276 tlogG= -0.012242 logG= -0.031518 Density= 0.278010 ETOT(band)= 0.003857 trlgG= -0.034340 logG= -0.031518 TDE= -0.266851 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019518 tlogG= -0.010514 logG= -0.030033 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 Density= 0.263048 ETOT(band)= -0.009507 trlgG= -0.045657 logG= -0.030033 TDE= -0.265444 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019511 tlogG= -0.010699 logG= -0.030210 Density= 0.275885 ETOT(band)= 0.002301 trlgG= -0.034489 logG= -0.030210 TDE= -0.266290 logGD-logG0= -0.019404 tlogG= -0.011769 logG= -0.031172 Density= 0.274846 ETOT(band)= 0.000449 trlgG= -0.037185 logG= -0.031172 TDE= -0.267037 logGD-logG0= -0.009758 tlogG= -0.005093 logG= -0.014851 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.129932 ETOT(band)= -0.006277 trlgG= -0.024121 logG= -0.014851 TDE= -0.132667 logGD-logG0= -0.004937 tlogG= -0.003589 logG= -0.008526 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.075045 ETOT(band)= 0.005214 trlgG= -0.005165 logG= -0.008526 TDE= -0.067911 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019596 tlogG= -0.012206 logG= -0.031801 Density= 0.279046 ETOT(band)= 0.003067 trlgG= -0.035575 logG= -0.031801 TDE= -0.268787 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009710 tlogG= -0.005652 logG= -0.015362 logGD-logG0= -0.019420 tlogG= -0.012058 logG= -0.031478 Density= 0.270949 ETOT(band)= -0.004039 trlgG= -0.042162 logG= -0.031478 TDE= -0.268008 Density= 0.133556 ETOT(band)= -0.003417 trlgG= -0.021955 logG= -0.015362 TDE= -0.133432 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019217 tlogG= -0.011918 logG= -0.031134 Density= 0.276657 ETOT(band)= 0.003816 trlgG= -0.033794 logG= -0.031134 TDE= -0.265403 logGD-logG0= -0.019466 tlogG= -0.010772 logG= -0.030238 Density= 0.272267 ETOT(band)= -0.000279 trlgG= -0.036741 logG= -0.030238 TDE= -0.265077 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009775 tlogG= -0.005313 logG= -0.015089 Density= 0.139017 ETOT(band)= 0.001913 trlgG= -0.016525 logG= -0.015089 TDE= -0.133462 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019554 tlogG= -0.011423 logG= -0.030977 Density= 0.276916 ETOT(band)= 0.002336 trlgG= -0.035299 logG= -0.030977 TDE= -0.267312 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009922 tlogG= -0.006046 logG= -0.015968 logGD-logG0= -0.019483 tlogG= -0.010935 logG= -0.030418 Density= 0.271602 ETOT(band)= -0.002729 trlgG= -0.039446 logG= -0.030418 TDE= -0.266971 Density= 0.143749 ETOT(band)= 0.006072 trlgG= -0.013361 logG= -0.015968 TDE= -0.133913 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019560 tlogG= -0.010428 logG= -0.029988 Density= 0.265774 ETOT(band)= -0.007681 trlgG= -0.043832 logG= -0.029988 TDE= -0.266252 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004868 tlogG= -0.002733 logG= -0.007601 Density= 0.068642 ETOT(band)= 0.000019 trlgG= -0.009187 logG= -0.007601 TDE= -0.066776 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009729 tlogG= -0.005672 logG= -0.015400 Density= 0.135981 ETOT(band)= -0.001329 trlgG= -0.019896 logG= -0.015400 TDE= -0.133638 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009741 tlogG= -0.005429 logG= -0.015171 logGD-logG0= -0.009727 tlogG= -0.005301 logG= -0.015027 Density= 0.136673 ETOT(band)= -0.000445 trlgG= -0.018726 logG= -0.015171 TDE= -0.133354 Density= 0.136352 ETOT(band)= -0.000657 trlgG= -0.018759 logG= -0.015027 TDE= -0.133227 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002471 tlogG= -0.001877 logG= -0.004348 Density= 0.037129 ETOT(band)= 0.002736 trlgG= -0.002508 logG= -0.004348 TDE= -0.033422 logGD-logG0= -0.002371 tlogG= -0.002377 logG= -0.004748 Density= 0.034943 ETOT(band)= 0.000959 trlgG= -0.004515 logG= -0.004748 TDE= -0.032953 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009529 tlogG= -0.007899 logG= -0.017428 Density= 0.138864 ETOT(band)= 0.002988 trlgG= -0.017151 logG= -0.017428 TDE= -0.131603 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009572 tlogG= -0.007570 logG= -0.017142 Density= 0.137954 ETOT(band)= 0.001817 trlgG= -0.018172 logG= -0.017142 TDE= -0.132046 logGD-logG0= -0.004756 tlogG= -0.004087 logG= -0.008844 Density= 0.070039 ETOT(band)= 0.002162 trlgG= -0.008100 logG= -0.008844 TDE= -0.065773 logGD-logG0= -0.009511 tlogG= -0.008122 logG= -0.017633 Density= 0.139119 ETOT(band)= 0.003359 trlgG= -0.017037 logG= -0.017633 TDE= -0.131527 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009809 tlogG= -0.007251 logG= -0.017060 logGD-logG0= -0.002416 tlogG= -0.001991 logG= -0.004407 Density= 0.035801 ETOT(band)= 0.001732 trlgG= -0.003437 logG= -0.004407 TDE= -0.033030 logGD-logG0= -0.009589 tlogG= -0.007437 logG= -0.017026 Density= 0.144927 ETOT(band)= 0.008316 trlgG= -0.011971 logG= -0.017060 TDE= -0.132551 Density= 0.140980 ETOT(band)= 0.005098 trlgG= -0.014896 logG= -0.017026 TDE= -0.131760 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009539 tlogG= -0.008544 logG= -0.018083 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.140970 ETOT(band)= 0.005006 trlgG= -0.016019 logG= -0.018083 TDE= -0.131817 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009584 tlogG= -0.007023 logG= -0.016607 Density= 0.139526 ETOT(band)= 0.003938 trlgG= -0.015510 logG= -0.016607 TDE= -0.131413 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009752 tlogG= -0.005478 logG= -0.015230 Density= 0.133675 ETOT(band)= -0.002101 trlgG= -0.020445 logG= -0.015230 TDE= -0.132167 logGD-logG0= -0.004850 tlogG= -0.002892 logG= -0.007742 Density= 0.068449 ETOT(band)= 0.000770 trlgG= -0.008465 logG= -0.007742 TDE= -0.065730 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019064 tlogG= -0.016006 logG= -0.035070 Density= 0.280695 ETOT(band)= 0.009067 trlgG= -0.031703 logG= -0.035070 TDE= -0.263212 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009631 tlogG= -0.006510 logG= -0.016141 Density= 0.137783 ETOT(band)= 0.001870 trlgG= -0.017424 logG= -0.016141 TDE= -0.132137 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009477 tlogG= -0.009174 logG= -0.018651 Density= 0.139872 ETOT(band)= 0.003954 trlgG= -0.017546 logG= -0.018651 TDE= -0.131733 logGD-logG0= -0.009629 tlogG= -0.007622 logG= -0.017251 Density= 0.142432 ETOT(band)= 0.006368 trlgG= -0.013895 logG= -0.017251 TDE= -0.131913 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019382 tlogG= -0.013434 logG= -0.032816 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.284261 ETOT(band)= 0.012063 trlgG= -0.026983 logG= -0.032816 TDE= -0.264132 logGD-logG0= -0.009941 tlogG= -0.006757 logG= -0.016697 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.146114 ETOT(band)= 0.009070 trlgG= -0.011174 logG= -0.016697 TDE= -0.133243 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009750 tlogG= -0.005224 logG= -0.014974 Density= 0.129717 ETOT(band)= -0.005762 trlgG= -0.023705 logG= -0.014974 TDE= -0.131926 logGD-logG0= -0.009617 tlogG= -0.006781 logG= -0.016397 logGD-logG0= -0.019175 tlogG= -0.014260 logG= -0.033435 Density= 0.140808 ETOT(band)= 0.005178 trlgG= -0.014240 logG= -0.016397 TDE= -0.131569 Density= 0.277984 ETOT(band)= 0.006330 trlgG= -0.032724 logG= -0.033435 TDE= -0.263294 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009797 tlogG= -0.005791 logG= -0.015587 Density= 0.140746 ETOT(band)= 0.004626 trlgG= -0.014243 logG= -0.015587 TDE= -0.132325 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019345 tlogG= -0.011961 logG= -0.031305 Density= 0.277019 ETOT(band)= 0.005704 trlgG= -0.031706 logG= -0.031305 TDE= -0.263489 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003179 tlogG= 0.069036 logG= 0.065857 Density= 0.046388 ETOT(band)= 0.001103 trlgG= 0.066045 logG= 0.065857 TDE= -0.043867 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003148 tlogG= 0.068349 logG= 0.065202 Density= 0.046008 ETOT(band)= 0.000715 trlgG= 0.064969 logG= 0.065202 TDE= -0.043927 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002361 tlogG= 0.051282 logG= 0.048921 Density= 0.034564 ETOT(band)= 0.000583 trlgG= 0.048798 logG= 0.048921 TDE= -0.032948 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009473 tlogG= 0.205936 logG= 0.196464 Density= 0.138953 ETOT(band)= 0.003067 trlgG= 0.196662 logG= 0.196464 TDE= -0.131767 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004728 tlogG= 0.102782 logG= 0.098054 Density= 0.069351 ETOT(band)= 0.001381 trlgG= 0.098031 logG= 0.098054 TDE= -0.065887 logGD-logG0= -0.009511 tlogG= 0.206640 logG= 0.197129 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Density= 0.139409 ETOT(band)= 0.003555 trlgG= 0.197842 logG= 0.197129 TDE= -0.131685 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003159 tlogG= 0.068638 logG= 0.065478 Density= 0.046332 ETOT(band)= 0.001015 trlgG= 0.065565 logG= 0.065478 TDE= -0.043915 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009533 tlogG= 0.207003 logG= 0.197471 Density= 0.139706 ETOT(band)= 0.003825 trlgG= 0.198480 logG= 0.197471 TDE= -0.131671 10) Finished k-point 11 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.31932176699968 eV TrLogG= -12.2301656823345 eV Ratio to renormalize= 0.999999999744 rho-rho_expected= 0.000000004089 nargs= 1 argi=dmft2.def 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 55) Finished k-point number 56 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 65) Finished k-point number 66 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 57) Finished k-point number 58 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 60) Finished k-point number 61 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 91) Finished k-point number 92 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 88) Finished k-point number 89 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931296884401265 0.927901341513916 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 23) Finished k-point number 24 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 20) Finished k-point number 21 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 12.9214789539060 Density= 15.9514604023035 16.0000000000000 EF 13.1935927860196 Density= 16.4455183443049 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96971127 0.94971127 0.445518 -0.485396E-01 1 0.95971127 0.94971129 0.204613 -0.485396E-01 2 0.95471128 0.94971104 0.806362E-01 -0.485396E-01 3 0.95221116 0.94971117 0.169107E-01 -0.485396E-01 4 0.95155866 0.94971117 0.947690E-05 -0.485396E-01 5 0.95155829 0.94971117 0.684505E-09 -0.485396E-01 6 0.95155829 0.95155829 -0.191513E-08 0.684505E-09 7 0.95155829 0.95155829 -0.191513E-08 0.684505E-09 Absolute convergence of the X interval. Difference in EF= 0.0251300071 EF set to : 12.9466089610 new EF (no-mixing): 12.9466089610 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001225 tlogG= -0.001251 logG= -0.002476 Density= 0.019047 ETOT(band)= 0.001312 trlgG= -0.001627 logG= -0.002476 TDE= -0.017276 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009777 tlogG= -0.009547 logG= -0.019324 Density= 0.152270 ETOT(band)= 0.010742 trlgG= -0.012289 logG= -0.019324 TDE= -0.137858 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002443 tlogG= -0.002407 logG= -0.004850 Density= 0.038045 ETOT(band)= 0.002718 trlgG= -0.003062 logG= -0.004850 TDE= -0.034413 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004885 tlogG= -0.004625 logG= -0.009510 Density= 0.076110 ETOT(band)= 0.005452 trlgG= -0.005913 logG= -0.009510 TDE= -0.068825 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002447 tlogG= -0.002084 logG= -0.004531 Density= 0.037647 ETOT(band)= 0.002807 trlgG= -0.002700 logG= -0.004531 TDE= -0.033993 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001600 tlogG= -0.001344 logG= -0.002944 Density= 0.022847 ETOT(band)= -0.000086 trlgG= -0.003532 logG= -0.002944 TDE= -0.022329 logGD-logG0= -0.009822 tlogG= -0.006749 logG= -0.016570 Density= 0.142902 ETOT(band)= 0.004178 trlgG= -0.016000 logG= -0.016570 TDE= -0.135409 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004905 tlogG= -0.004204 logG= -0.009109 Density= 0.075802 ETOT(band)= 0.005521 trlgG= -0.005509 logG= -0.009109 TDE= -0.068529 logGD-logG0= -0.009809 tlogG= -0.008689 logG= -0.018497 Density= 0.151434 ETOT(band)= 0.011309 trlgG= -0.011032 logG= -0.018497 TDE= -0.136633 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009806 tlogG= -0.008082 logG= -0.017888 Density= 0.151219 ETOT(band)= 0.011215 trlgG= -0.010498 logG= -0.017888 TDE= -0.136503 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009782 tlogG= -0.007826 logG= -0.017607 Density= 0.150622 ETOT(band)= 0.011671 trlgG= -0.009726 logG= -0.017607 TDE= -0.135444 logGD-logG0= -0.009820 tlogG= -0.008821 logG= -0.018642 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.151831 ETOT(band)= 0.011248 trlgG= -0.011195 logG= -0.018642 TDE= -0.137029 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019596 tlogG= -0.014829 logG= -0.034425 Density= 0.300433 ETOT(band)= 0.022283 trlgG= -0.019589 logG= -0.034425 TDE= -0.271043 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019610 tlogG= -0.015943 logG= -0.035553 Density= 0.302561 ETOT(band)= 0.022323 trlgG= -0.020884 logG= -0.035553 TDE= -0.273236 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009828 tlogG= -0.006665 logG= -0.016493 Density= 0.147635 ETOT(band)= 0.008898 trlgG= -0.011299 logG= -0.016493 TDE= -0.135289 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003193 tlogG= -0.002581 logG= -0.005775 Density= 0.045523 ETOT(band)= -0.000167 trlgG= -0.006986 logG= -0.005775 TDE= -0.044529 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003149 tlogG= -0.002650 logG= -0.005799 Density= 0.045980 ETOT(band)= 0.000701 trlgG= -0.005998 logG= -0.005799 TDE= -0.043951 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009593 tlogG= -0.007612 logG= -0.017205 Density= 0.137131 ETOT(band)= -0.000223 trlgG= -0.020602 logG= -0.017205 TDE= -0.133885 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003176 tlogG= -0.002605 logG= -0.005781 Density= 0.045734 ETOT(band)= 0.000218 trlgG= -0.006533 logG= -0.005781 TDE= -0.044271 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009585 tlogG= -0.007525 logG= -0.017110 logGD-logG0= -0.009571 tlogG= -0.007449 logG= -0.017021 Density= 0.137037 ETOT(band)= 0.000213 trlgG= -0.019964 logG= -0.017021 TDE= -0.133342 Density= 0.137009 ETOT(band)= -0.000160 trlgG= -0.020458 logG= -0.017110 TDE= -0.133721 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009603 tlogG= -0.006797 logG= -0.016400 Density= 0.138119 ETOT(band)= 0.001049 trlgG= -0.018663 logG= -0.016400 TDE= -0.133692 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009552 tlogG= -0.007480 logG= -0.017032 Density= 0.137250 ETOT(band)= 0.000601 trlgG= -0.019501 logG= -0.017032 TDE= -0.133071 logGD-logG0= -0.009837 tlogG= -0.006626 logG= -0.016463 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.141846 ETOT(band)= 0.003832 trlgG= -0.016134 logG= -0.016463 TDE= -0.134646 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009891 tlogG= -0.007180 logG= -0.017071 Density= 0.148221 ETOT(band)= 0.009842 trlgG= -0.010972 logG= -0.017071 TDE= -0.134942 logGD-logG0= -0.009828 tlogG= -0.007590 logG= -0.017418 Density= 0.149666 ETOT(band)= 0.011548 trlgG= -0.009639 logG= -0.017418 TDE= -0.134637 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009696 tlogG= -0.006471 logG= -0.016167 Density= 0.140048 ETOT(band)= 0.003279 trlgG= -0.016114 logG= -0.016167 TDE= -0.133211 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004846 tlogG= -0.003184 logG= -0.008029 Density= 0.067779 ETOT(band)= -0.001005 trlgG= -0.010698 logG= -0.008029 TDE= -0.067165 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009603 tlogG= -0.006977 logG= -0.016580 Density= 0.138629 ETOT(band)= 0.001932 trlgG= -0.017743 logG= -0.016580 TDE= -0.133076 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009685 tlogG= -0.005802 logG= -0.015487 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.134238 ETOT(band)= -0.002534 trlgG= -0.021295 logG= -0.015487 TDE= -0.133543 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009578 tlogG= -0.006665 logG= -0.016242 Density= 0.137907 ETOT(band)= 0.001329 trlgG= -0.018165 logG= -0.016242 TDE= -0.133149 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009657 tlogG= -0.006077 logG= -0.015734 Density= 0.138033 ETOT(band)= 0.001095 trlgG= -0.017951 logG= -0.015734 TDE= -0.133564 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009518 tlogG= -0.007508 logG= -0.017026 logGD-logG0= -0.009702 tlogG= -0.006177 logG= -0.015879 Density= 0.135997 ETOT(band)= -0.001224 trlgG= -0.020453 logG= -0.015879 TDE= -0.133982 Density= 0.137640 ETOT(band)= 0.001449 trlgG= -0.018488 logG= -0.017026 TDE= -0.132434 logGD-logG0= -0.009640 tlogG= -0.005753 logG= -0.015392 Density= 0.136884 ETOT(band)= 0.000479 trlgG= -0.018213 logG= -0.015392 TDE= -0.133074 logGD-logG0= -0.009756 tlogG= -0.006653 logG= -0.016409 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.143367 ETOT(band)= 0.006777 trlgG= -0.012974 logG= -0.016409 TDE= -0.132986 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009675 tlogG= -0.006268 logG= -0.015943 Density= 0.138550 ETOT(band)= 0.001590 trlgG= -0.017600 logG= -0.015943 TDE= -0.133496 logGD-logG0= -0.009612 tlogG= -0.006760 logG= -0.016372 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138046 ETOT(band)= 0.001060 trlgG= -0.018660 logG= -0.016372 TDE= -0.133647 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009551 tlogG= -0.006940 logG= -0.016491 Density= 0.139106 ETOT(band)= 0.003139 trlgG= -0.016212 logG= -0.016491 TDE= -0.132089 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009595 tlogG= -0.006996 logG= -0.016591 Density= 0.137774 ETOT(band)= 0.000633 trlgG= -0.019279 logG= -0.016591 TDE= -0.133788 logGD-logG0= -0.004865 tlogG= -0.002658 logG= -0.007522 Density= 0.065492 ETOT(band)= -0.002512 trlgG= -0.011544 logG= -0.007522 TDE= -0.066341 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019711 tlogG= -0.013012 logG= -0.032724 Density= 0.283595 ETOT(band)= 0.007060 trlgG= -0.032772 logG= -0.032724 TDE= -0.269905 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019183 tlogG= -0.013991 logG= -0.033174 Density= 0.275703 ETOT(band)= 0.001876 trlgG= -0.037806 logG= -0.033174 TDE= -0.266980 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009879 tlogG= -0.006631 logG= -0.016510 logGD-logG0= -0.019302 tlogG= -0.012359 logG= -0.031661 Density= 0.142188 ETOT(band)= 0.003633 trlgG= -0.016476 logG= -0.016510 TDE= -0.135266 Density= 0.278276 ETOT(band)= 0.004323 trlgG= -0.034130 logG= -0.031661 TDE= -0.267265 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019230 tlogG= -0.012576 logG= -0.031806 logGD-logG0= -0.019522 tlogG= -0.012287 logG= -0.031808 Density= 0.280546 ETOT(band)= 0.006306 trlgG= -0.032336 logG= -0.031808 TDE= -0.267484 logGD-logG0= -0.019292 tlogG= -0.012512 logG= -0.031804 Density= 0.278750 ETOT(band)= 0.006555 trlgG= -0.031402 logG= -0.031806 TDE= -0.264844 Density= 0.278062 ETOT(band)= 0.004700 trlgG= -0.033692 logG= -0.031804 TDE= -0.266480 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019398 tlogG= -0.011148 logG= -0.030546 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.271133 ETOT(band)= -0.002122 trlgG= -0.039180 logG= -0.030546 TDE= -0.266633 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019121 tlogG= -0.014040 logG= -0.033160 Density= 0.276297 ETOT(band)= 0.003623 trlgG= -0.035645 logG= -0.033160 TDE= -0.265398 logGD-logG0= -0.019411 tlogG= -0.011735 logG= -0.031146 Density= 0.274869 ETOT(band)= 0.000960 trlgG= -0.036716 logG= -0.031146 TDE= -0.267124 logGD-logG0= -0.019517 tlogG= -0.010481 logG= -0.029998 Density= 0.263391 ETOT(band)= -0.008698 trlgG= -0.044882 logG= -0.029998 TDE= -0.265516 logGD-logG0= -0.019284 tlogG= -0.012219 logG= -0.031503 Density= 0.277990 ETOT(band)= 0.004330 trlgG= -0.033916 logG= -0.031503 TDE= -0.266937 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000393 tlogG= 0.008546 logG= 0.008153 Density= 0.005734 ETOT(band)= 0.000082 trlgG= 0.008117 logG= 0.008153 TDE= -0.005492 logGD-logG0= -0.019820 tlogG= -0.012877 logG= -0.032697 Density= 0.289780 ETOT(band)= 0.015302 trlgG= -0.024398 logG= -0.032697 TDE= -0.267444 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019514 tlogG= -0.010675 logG= -0.030189 logGD-logG0= -0.019428 tlogG= -0.012015 logG= -0.031443 Density= 0.270752 ETOT(band)= -0.003736 trlgG= -0.041885 logG= -0.031443 TDE= -0.268078 Density= 0.276394 ETOT(band)= 0.003265 trlgG= -0.033563 logG= -0.030189 TDE= -0.266379 logGD-logG0= -0.019611 tlogG= -0.012176 logG= -0.031787 Density= 0.279227 ETOT(band)= 0.003718 trlgG= -0.034977 logG= -0.031787 TDE= -0.268891 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004940 tlogG= -0.003592 logG= -0.008532 Density= 0.074996 ETOT(band)= 0.005292 trlgG= -0.005110 logG= -0.008532 TDE= -0.067942 logGD-logG0= -0.019221 tlogG= -0.011890 logG= -0.031111 Density= 0.276617 ETOT(band)= 0.004272 trlgG= -0.033374 logG= -0.031111 TDE= -0.265481 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009714 tlogG= -0.005637 logG= -0.015351 Density= 0.133504 ETOT(band)= -0.003217 trlgG= -0.021778 logG= -0.015351 TDE= -0.133464 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009929 tlogG= -0.006042 logG= -0.015971 Density= 0.143857 ETOT(band)= 0.006415 trlgG= -0.013049 logG= -0.015971 TDE= -0.133965 logGD-logG0= -0.009765 tlogG= -0.005063 logG= -0.014828 Density= 0.130160 ETOT(band)= -0.005827 trlgG= -0.023676 logG= -0.014828 TDE= -0.132703 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009779 tlogG= -0.005304 logG= -0.015083 Density= 0.139261 ETOT(band)= 0.002388 trlgG= -0.016076 logG= -0.015083 TDE= -0.133509 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019565 tlogG= -0.011399 logG= -0.030964 Density= 0.277130 ETOT(band)= 0.003018 trlgG= -0.034665 logG= -0.030964 TDE= -0.267406 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019467 tlogG= -0.010747 logG= -0.030214 Density= 0.272773 ETOT(band)= 0.000679 trlgG= -0.035820 logG= -0.030214 TDE= -0.265165 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019489 tlogG= -0.010901 logG= -0.030389 Density= 0.271712 ETOT(band)= -0.002134 trlgG= -0.038891 logG= -0.030389 TDE= -0.267052 logGD-logG0= -0.019559 tlogG= -0.010384 logG= -0.029943 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.266066 ETOT(band)= -0.006918 trlgG= -0.043093 logG= -0.029943 TDE= -0.266328 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009727 tlogG= -0.005282 logG= -0.015010 Density= 0.136356 ETOT(band)= -0.000407 trlgG= -0.018519 logG= -0.015010 TDE= -0.133260 logGD-logG0= -0.009733 tlogG= -0.005657 logG= -0.015390 Density= 0.135941 ETOT(band)= -0.001117 trlgG= -0.019706 logG= -0.015390 TDE= -0.133672 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004869 tlogG= -0.002724 logG= -0.007593 Density= 0.068629 ETOT(band)= 0.000129 trlgG= -0.009086 logG= -0.007593 TDE= -0.066797 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009743 tlogG= -0.005414 logG= -0.015158 Density= 0.136706 ETOT(band)= -0.000168 trlgG= -0.018467 logG= -0.015158 TDE= -0.133392 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002472 tlogG= -0.001878 logG= -0.004350 Density= 0.037108 ETOT(band)= 0.002778 trlgG= -0.002475 logG= -0.004350 TDE= -0.033436 logGD-logG0= -0.002371 tlogG= -0.002375 logG= -0.004746 Density= 0.034931 ETOT(band)= 0.001012 trlgG= -0.004468 logG= -0.004746 TDE= -0.032961 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009478 tlogG= -0.008940 logG= -0.018418 Density= 0.139642 ETOT(band)= 0.003984 trlgG= -0.017243 logG= -0.018418 TDE= -0.131702 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009574 tlogG= -0.007554 logG= -0.017128 Density= 0.137871 ETOT(band)= 0.001997 trlgG= -0.018006 logG= -0.017128 TDE= -0.132071 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009511 tlogG= -0.008108 logG= -0.017619 Density= 0.139059 ETOT(band)= 0.003559 trlgG= -0.016853 logG= -0.017619 TDE= -0.131557 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009540 tlogG= -0.008534 logG= -0.018074 Density= 0.140954 ETOT(band)= 0.005243 trlgG= -0.015802 logG= -0.018074 TDE= -0.131855 logGD-logG0= -0.004757 tlogG= -0.004079 logG= -0.008837 Density= 0.070022 ETOT(band)= 0.002274 trlgG= -0.007997 logG= -0.008837 TDE= -0.065790 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009530 tlogG= -0.007885 logG= -0.017415 Density= 0.138801 ETOT(band)= 0.003185 trlgG= -0.016969 logG= -0.017415 TDE= -0.131631 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002417 tlogG= -0.001990 logG= -0.004407 Density= 0.035807 ETOT(band)= 0.001801 trlgG= -0.003376 logG= -0.004407 TDE= -0.033042 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009591 tlogG= -0.007429 logG= -0.017020 Density= 0.140981 ETOT(band)= 0.005349 trlgG= -0.014669 logG= -0.017020 TDE= -0.131800 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009815 tlogG= -0.007249 logG= -0.017064 Density= 0.144962 ETOT(band)= 0.008596 trlgG= -0.011724 logG= -0.017064 TDE= -0.132600 logGD-logG0= -0.009632 tlogG= -0.006492 logG= -0.016124 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.137707 ETOT(band)= 0.002048 trlgG= -0.017257 logG= -0.016124 TDE= -0.132169 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009753 tlogG= -0.005462 logG= -0.015215 Density= 0.133759 ETOT(band)= -0.001778 trlgG= -0.020136 logG= -0.015215 TDE= -0.132201 logGD-logG0= -0.009584 tlogG= -0.007005 logG= -0.016589 Density= 0.139488 ETOT(band)= 0.004156 trlgG= -0.015302 logG= -0.016589 TDE= -0.131445 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004850 tlogG= -0.002885 logG= -0.007736 Density= 0.068455 ETOT(band)= 0.000899 trlgG= -0.008344 logG= -0.007736 TDE= -0.065747 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019066 tlogG= -0.015986 logG= -0.035052 Density= 0.280636 ETOT(band)= 0.009520 trlgG= -0.031294 logG= -0.035052 TDE= -0.263284 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009477 tlogG= -0.009163 logG= -0.018640 Density= 0.139824 ETOT(band)= 0.004166 trlgG= -0.017356 logG= -0.018640 TDE= -0.131765 logGD-logG0= -0.009632 tlogG= -0.007617 logG= -0.017248 Density= 0.142454 ETOT(band)= 0.006637 trlgG= -0.013651 logG= -0.017248 TDE= -0.131956 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019389 tlogG= -0.013420 logG= -0.032809 Density= 0.284356 ETOT(band)= 0.012645 trlgG= -0.026451 logG= -0.032809 TDE= -0.264223 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009944 tlogG= -0.006762 logG= -0.016706 Density= 0.146107 ETOT(band)= 0.009308 trlgG= -0.010972 logG= -0.016706 TDE= -0.133296 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009757 tlogG= -0.005198 logG= -0.014955 Density= 0.129942 ETOT(band)= -0.005315 trlgG= -0.023267 logG= -0.014955 TDE= -0.131959 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019179 tlogG= -0.014239 logG= -0.033417 Density= 0.277879 ETOT(band)= 0.006740 trlgG= -0.032352 logG= -0.033417 TDE= -0.263353 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009800 tlogG= -0.005785 logG= -0.015585 logGD-logG0= -0.009617 tlogG= -0.006770 logG= -0.016388 Density= 0.140903 ETOT(band)= 0.005015 trlgG= -0.013882 logG= -0.015585 TDE= -0.132375 Density= 0.140807 ETOT(band)= 0.005426 trlgG= -0.014009 logG= -0.016388 TDE= -0.131607 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019348 tlogG= -0.011936 logG= -0.031284 Density= 0.276997 ETOT(band)= 0.006177 trlgG= -0.031268 logG= -0.031284 TDE= -0.263563 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003160 tlogG= 0.068782 logG= 0.065622 Density= 0.046308 ETOT(band)= 0.001079 trlgG= 0.065763 logG= 0.065622 TDE= -0.043924 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003148 tlogG= 0.068494 logG= 0.065346 Density= 0.045978 ETOT(band)= 0.000775 trlgG= 0.065163 logG= 0.065346 TDE= -0.043934 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003179 tlogG= 0.069180 logG= 0.066001 Density= 0.046366 ETOT(band)= 0.001168 trlgG= 0.066245 logG= 0.066001 TDE= -0.043876 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002362 tlogG= 0.051390 logG= 0.049029 Density= 0.034543 ETOT(band)= 0.000628 trlgG= 0.048944 logG= 0.049029 TDE= -0.032954 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009474 tlogG= 0.206368 logG= 0.196895 Density= 0.138883 ETOT(band)= 0.003261 trlgG= 0.197256 logG= 0.196895 TDE= -0.131794 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004728 tlogG= 0.102998 logG= 0.098270 Density= 0.069313 ETOT(band)= 0.001476 trlgG= 0.098326 logG= 0.098270 TDE= -0.065899 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009511 tlogG= 0.207072 logG= 0.197561 Density= 0.139348 ETOT(band)= 0.003757 trlgG= 0.198444 logG= 0.197561 TDE= -0.131714 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.70313972504527 eV TrLogG= -14.7981646874478 eV Ratio to renormalize= 0.999999999864 rho-rho_expected= 0.000000002181 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 25) Finished k-point number 26 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 32) Finished k-point number 33 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 91) Finished k-point number 92 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 73) Finished k-point number 74 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 95) Finished k-point number 96 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930398618349379 0.926717969842817 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 42) Finished k-point number 43 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 45) Finished k-point number 46 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 12.9466089610387 Density= 15.8842094337825 16.0000000000000 EF 13.2187227931523 Density= 16.3926031188244 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97155829 0.95155829 0.392603 -0.115791 1 0.96155829 0.95155831 0.147382 -0.115791 2 0.95655830 0.95155854 0.193120E-01 -0.115791 3 0.95582635 0.95155854 0.496695E-04 -0.115791 4 0.95582447 0.95155854 0.108973E-07 -0.115791 5 0.95582447 0.95582447 -0.177636E-14 0.108973E-07 Absolute convergence of |F(X)|. Difference in EF too large to mix 5.804434257363782E-002 cutoff= 2.9999999E-02 Difference in EF= 0.0580443426 EF set to : 13.0046533036 new EF (no-mixing): 13.0046533036 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001227 tlogG= -0.001253 logG= -0.002480 Density= 0.019002 ETOT(band)= 0.001340 trlgG= -0.001614 logG= -0.002480 TDE= -0.017297 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009793 tlogG= -0.009563 logG= -0.019356 Density= 0.151909 ETOT(band)= 0.010968 trlgG= -0.012181 logG= -0.019356 TDE= -0.138024 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002446 tlogG= -0.002411 logG= -0.004858 Density= 0.037953 ETOT(band)= 0.002773 trlgG= -0.003036 logG= -0.004858 TDE= -0.034455 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004893 tlogG= -0.004635 logG= -0.009528 Density= 0.075929 ETOT(band)= 0.005564 trlgG= -0.005862 logG= -0.009528 TDE= -0.068908 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002451 tlogG= -0.002087 logG= -0.004538 Density= 0.037528 ETOT(band)= 0.002831 trlgG= -0.002699 logG= -0.004538 TDE= -0.034031 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001601 tlogG= -0.001337 logG= -0.002939 Density= 0.022807 ETOT(band)= -0.000027 trlgG= -0.003479 logG= -0.002939 TDE= -0.022340 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009825 tlogG= -0.008703 logG= -0.018528 Density= 0.151025 ETOT(band)= 0.011483 trlgG= -0.010964 logG= -0.018528 TDE= -0.136790 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009843 tlogG= -0.006736 logG= -0.016579 Density= 0.143469 ETOT(band)= 0.005263 trlgG= -0.014998 logG= -0.016579 TDE= -0.135550 logGD-logG0= -0.009821 tlogG= -0.008096 logG= -0.017917 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.150817 ETOT(band)= 0.011394 trlgG= -0.010422 logG= -0.017917 TDE= -0.136659 logGD-logG0= -0.004913 tlogG= -0.004212 logG= -0.009125 Density= 0.075605 ETOT(band)= 0.005615 trlgG= -0.005470 logG= -0.009125 TDE= -0.068609 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009837 tlogG= -0.008836 logG= -0.018673 Density= 0.151448 ETOT(band)= 0.011451 trlgG= -0.011104 logG= -0.018673 TDE= -0.137190 logGD-logG0= -0.009795 tlogG= -0.007838 logG= -0.017633 Density= 0.150209 ETOT(band)= 0.011838 trlgG= -0.009651 logG= -0.017633 TDE= -0.135591 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019641 tlogG= -0.015969 logG= -0.035610 Density= 0.301764 ETOT(band)= 0.022688 trlgG= -0.020724 logG= -0.035610 TDE= -0.273547 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019621 tlogG= -0.014853 logG= -0.034474 Density= 0.299743 ETOT(band)= 0.022749 trlgG= -0.019307 logG= -0.034474 TDE= -0.271335 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009837 tlogG= -0.006676 logG= -0.016514 Density= 0.147496 ETOT(band)= 0.009318 trlgG= -0.010965 logG= -0.016514 TDE= -0.135431 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004893 tlogG= -0.003585 logG= -0.008478 Density= 0.074857 ETOT(band)= 0.005404 trlgG= -0.004944 logG= -0.008478 TDE= -0.068016 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003196 tlogG= -0.002566 logG= -0.005762 Density= 0.045438 ETOT(band)= -0.000054 trlgG= -0.006882 logG= -0.005762 TDE= -0.044551 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003149 tlogG= -0.002637 logG= -0.005786 logGD-logG0= -0.003178 tlogG= -0.002591 logG= -0.005769 Density= 0.045659 ETOT(band)= 0.000343 trlgG= -0.006417 logG= -0.005769 TDE= -0.044290 Density= 0.045917 ETOT(band)= 0.000838 trlgG= -0.005870 logG= -0.005786 TDE= -0.043973 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009601 tlogG= -0.007576 logG= -0.017177 Density= 0.136911 ETOT(band)= 0.000148 trlgG= -0.020276 logG= -0.017177 TDE= -0.133962 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009592 tlogG= -0.007485 logG= -0.017077 Density= 0.136782 ETOT(band)= 0.000203 trlgG= -0.020134 logG= -0.017077 TDE= -0.133797 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009577 tlogG= -0.007411 logG= -0.016988 Density= 0.136816 ETOT(band)= 0.000582 trlgG= -0.019631 logG= -0.016988 TDE= -0.133415 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009520 tlogG= -0.007469 logG= -0.016989 logGD-logG0= -0.009556 tlogG= -0.007441 logG= -0.016996 Density= 0.137035 ETOT(band)= 0.000979 trlgG= -0.019155 logG= -0.016996 TDE= -0.133140 Density= 0.137445 ETOT(band)= 0.001850 trlgG= -0.018114 logG= -0.016989 TDE= -0.132498 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009841 tlogG= -0.007603 logG= -0.017444 Density= 0.149295 ETOT(band)= 0.011756 trlgG= -0.009520 logG= -0.017444 TDE= -0.134777 logGD-logG0= -0.009609 tlogG= -0.006763 logG= -0.016371 Density= 0.137984 ETOT(band)= 0.001488 trlgG= -0.018270 logG= -0.016371 TDE= -0.133786 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009861 tlogG= -0.006605 logG= -0.016466 Density= 0.142236 ETOT(band)= 0.004749 trlgG= -0.015290 logG= -0.016466 TDE= -0.134776 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009904 tlogG= -0.007192 logG= -0.017096 Density= 0.147969 ETOT(band)= 0.010159 trlgG= -0.010746 logG= -0.017096 TDE= -0.135083 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009705 tlogG= -0.006450 logG= -0.016154 Density= 0.140142 ETOT(band)= 0.003923 trlgG= -0.015523 logG= -0.016154 TDE= -0.133320 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009552 tlogG= -0.006915 logG= -0.016467 Density= 0.139026 ETOT(band)= 0.003637 trlgG= -0.015755 logG= -0.016467 TDE= -0.132173 logGD-logG0= -0.009607 tlogG= -0.006947 logG= -0.016554 Density= 0.138514 ETOT(band)= 0.002399 trlgG= -0.017324 logG= -0.016554 TDE= -0.133165 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009583 tlogG= -0.006635 logG= -0.016218 Density= 0.137750 ETOT(band)= 0.001751 trlgG= -0.017790 logG= -0.016218 TDE= -0.133237 logGD-logG0= -0.009664 tlogG= -0.006042 logG= -0.015707 Density= 0.138007 ETOT(band)= 0.001633 trlgG= -0.017461 logG= -0.015707 TDE= -0.133665 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009711 tlogG= -0.006132 logG= -0.015843 Density= 0.135832 ETOT(band)= -0.000817 trlgG= -0.020078 logG= -0.015843 TDE= -0.134066 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004851 tlogG= -0.003160 logG= -0.008011 Density= 0.067652 ETOT(band)= -0.000844 trlgG= -0.010555 logG= -0.008011 TDE= -0.067208 logGD-logG0= -0.009683 tlogG= -0.006238 logG= -0.015921 logGD-logG0= -0.004864 tlogG= -0.002634 logG= -0.007499 Density= 0.065506 ETOT(band)= -0.002222 trlgG= -0.011262 logG= -0.007499 TDE= -0.066375 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138552 ETOT(band)= 0.002153 trlgG= -0.017090 logG= -0.015921 TDE= -0.133600 logGD-logG0= -0.009618 tlogG= -0.006726 logG= -0.016344 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137918 ETOT(band)= 0.001505 trlgG= -0.018262 logG= -0.016344 TDE= -0.133743 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009691 tlogG= -0.005751 logG= -0.015442 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.133983 ETOT(band)= -0.002215 trlgG= -0.020999 logG= -0.015442 TDE= -0.133621 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009769 tlogG= -0.006645 logG= -0.016414 Density= 0.143510 ETOT(band)= 0.007468 trlgG= -0.012347 logG= -0.016414 TDE= -0.133103 logGD-logG0= -0.009601 tlogG= -0.006959 logG= -0.016560 Density= 0.137614 ETOT(band)= 0.001051 trlgG= -0.018905 logG= -0.016560 TDE= -0.133880 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009645 tlogG= -0.005722 logG= -0.015367 Density= 0.136853 ETOT(band)= 0.001011 trlgG= -0.017727 logG= -0.015367 TDE= -0.133167 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019195 tlogG= -0.013924 logG= -0.033118 Density= 0.275382 ETOT(band)= 0.002716 trlgG= -0.037059 logG= -0.033118 TDE= -0.267157 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019767 tlogG= -0.012961 logG= -0.032728 Density= 0.284517 ETOT(band)= 0.009027 trlgG= -0.030951 logG= -0.032728 TDE= -0.270171 logGD-logG0= -0.009909 tlogG= -0.006606 logG= -0.016516 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.142733 ETOT(band)= 0.004696 trlgG= -0.015492 logG= -0.016516 TDE= -0.135404 logGD-logG0= -0.019409 tlogG= -0.011069 logG= -0.030478 Density= 0.271221 ETOT(band)= -0.000919 trlgG= -0.038066 logG= -0.030478 TDE= -0.266828 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019303 tlogG= -0.012459 logG= -0.031762 Density= 0.278020 ETOT(band)= 0.005784 trlgG= -0.032705 logG= -0.031762 TDE= -0.266682 logGD-logG0= -0.019549 tlogG= -0.012242 logG= -0.031791 Density= 0.280996 ETOT(band)= 0.007826 trlgG= -0.030928 logG= -0.031791 TDE= -0.267720 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019299 tlogG= -0.012160 logG= -0.031459 logGD-logG0= -0.019509 tlogG= -0.010396 logG= -0.029906 Density= 0.264034 ETOT(band)= -0.006989 trlgG= -0.043227 logG= -0.029906 TDE= -0.265692 Density= 0.277951 ETOT(band)= 0.005414 trlgG= -0.032929 logG= -0.031459 TDE= -0.267143 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019127 tlogG= -0.013963 logG= -0.033090 Density= 0.275988 ETOT(band)= 0.004490 trlgG= -0.034850 logG= -0.033090 TDE= -0.265556 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019524 tlogG= -0.010636 logG= -0.030160 Density= 0.277522 ETOT(band)= 0.005446 trlgG= -0.031491 logG= -0.030160 TDE= -0.266593 logGD-logG0= -0.019317 tlogG= -0.012311 logG= -0.031628 Density= 0.278255 ETOT(band)= 0.005420 trlgG= -0.033142 logG= -0.031628 TDE= -0.267476 logGD-logG0= -0.009783 tlogG= -0.005001 logG= -0.014785 Density= 0.130717 ETOT(band)= -0.004762 trlgG= -0.022632 logG= -0.014785 TDE= -0.132790 logGD-logG0= -0.019228 tlogG= -0.011830 logG= -0.031058 Density= 0.276527 ETOT(band)= 0.005313 trlgG= -0.032414 logG= -0.031058 TDE= -0.265668 logGD-logG0= -0.019428 tlogG= -0.011671 logG= -0.031099 Density= 0.274963 ETOT(band)= 0.002167 trlgG= -0.035618 logG= -0.031099 TDE= -0.267335 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009718 tlogG= -0.005581 logG= -0.015299 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.133313 ETOT(band)= -0.002838 trlgG= -0.021415 logG= -0.015299 TDE= -0.133539 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019235 tlogG= -0.012535 logG= -0.031770 Density= 0.278755 ETOT(band)= 0.007682 trlgG= -0.030372 logG= -0.031770 TDE= -0.265043 logGD-logG0= -0.000393 tlogG= 0.008587 logG= 0.008194 Density= 0.005725 ETOT(band)= 0.000099 trlgG= 0.008172 logG= 0.008194 TDE= -0.005494 logGD-logG0= -0.019846 tlogG= -0.012879 logG= -0.032724 Density= 0.289940 ETOT(band)= 0.016561 trlgG= -0.023287 logG= -0.032724 TDE= -0.267695 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019646 tlogG= -0.012117 logG= -0.031763 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.279700 ETOT(band)= 0.005262 trlgG= -0.033558 logG= -0.031763 TDE= -0.269139 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019445 tlogG= -0.011923 logG= -0.031368 Density= 0.270316 ETOT(band)= -0.003030 trlgG= -0.041239 logG= -0.031368 TDE= -0.268245 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019499 tlogG= -0.010830 logG= -0.030329 Density= 0.271984 ETOT(band)= -0.000757 trlgG= -0.037609 logG= -0.030329 TDE= -0.267249 logGD-logG0= -0.019463 tlogG= -0.010708 logG= -0.030171 Density= 0.274003 ETOT(band)= 0.002941 trlgG= -0.033656 logG= -0.030171 TDE= -0.265383 logGD-logG0= -0.009942 tlogG= -0.006040 logG= -0.015982 Density= 0.144070 ETOT(band)= 0.007166 trlgG= -0.012366 logG= -0.015982 TDE= -0.134090 logGD-logG0= -0.009784 tlogG= -0.005285 logG= -0.015069 Density= 0.139743 ETOT(band)= 0.003399 trlgG= -0.015120 logG= -0.015069 TDE= -0.133620 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019553 tlogG= -0.010323 logG= -0.029876 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.266920 ETOT(band)= -0.004989 trlgG= -0.041262 logG= -0.029876 TDE= -0.266515 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009737 tlogG= -0.005611 logG= -0.015348 Density= 0.135851 ETOT(band)= -0.000637 trlgG= -0.019249 logG= -0.015348 TDE= -0.133752 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009731 tlogG= -0.005248 logG= -0.014978 logGD-logG0= -0.019589 tlogG= -0.011344 logG= -0.030933 Density= 0.136350 ETOT(band)= 0.000153 trlgG= -0.017991 logG= -0.014978 TDE= -0.133339 Density= 0.277648 ETOT(band)= 0.004601 trlgG= -0.033182 logG= -0.030933 TDE= -0.267632 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009748 tlogG= -0.005381 logG= -0.015129 Density= 0.136775 ETOT(band)= 0.000458 trlgG= -0.017881 logG= -0.015129 TDE= -0.133485 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004875 tlogG= -0.002723 logG= -0.007599 Density= 0.068592 ETOT(band)= 0.000374 trlgG= -0.008885 logG= -0.007599 TDE= -0.066848 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002475 tlogG= -0.001881 logG= -0.004356 Density= 0.037057 ETOT(band)= 0.002871 trlgG= -0.002405 logG= -0.004356 TDE= -0.033468 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002371 tlogG= -0.002369 logG= -0.004740 Density= 0.034905 ETOT(band)= 0.001134 trlgG= -0.004358 logG= -0.004740 TDE= -0.032981 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009477 tlogG= -0.008914 logG= -0.018391 Density= 0.139528 ETOT(band)= 0.004465 trlgG= -0.016805 logG= -0.018391 TDE= -0.131778 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009577 tlogG= -0.007518 logG= -0.017094 Density= 0.137684 ETOT(band)= 0.002408 trlgG= -0.017624 logG= -0.017094 TDE= -0.132131 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009541 tlogG= -0.008518 logG= -0.018060 Density= 0.140926 ETOT(band)= 0.005795 trlgG= -0.015305 logG= -0.018060 TDE= -0.131946 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009511 tlogG= -0.008079 logG= -0.017589 Density= 0.138928 ETOT(band)= 0.004023 trlgG= -0.016428 logG= -0.017589 TDE= -0.131629 logGD-logG0= -0.009530 tlogG= -0.007854 logG= -0.017384 Density= 0.138662 ETOT(band)= 0.003642 trlgG= -0.016545 logG= -0.017384 TDE= -0.131698 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004757 tlogG= -0.004067 logG= -0.008824 Density= 0.069980 ETOT(band)= 0.002526 trlgG= -0.007767 logG= -0.008824 TDE= -0.065831 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009594 tlogG= -0.007411 logG= -0.017005 Density= 0.140996 ETOT(band)= 0.005934 trlgG= -0.014133 logG= -0.017005 TDE= -0.131896 logGD-logG0= -0.002419 tlogG= -0.001988 logG= -0.004407 Density= 0.035823 ETOT(band)= 0.001958 trlgG= -0.003235 logG= -0.004407 TDE= -0.033068 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009828 tlogG= -0.007248 logG= -0.017075 Density= 0.145035 ETOT(band)= 0.009231 trlgG= -0.011163 logG= -0.017075 TDE= -0.132716 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009754 tlogG= -0.005431 logG= -0.015184 Density= 0.133937 ETOT(band)= -0.001054 trlgG= -0.019447 logG= -0.015184 TDE= -0.132283 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009636 tlogG= -0.006459 logG= -0.016095 Density= 0.137531 ETOT(band)= 0.002454 trlgG= -0.016886 logG= -0.016095 TDE= -0.132246 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019067 tlogG= -0.015943 logG= -0.035010 Density= 0.280520 ETOT(band)= 0.010572 trlgG= -0.030337 logG= -0.035010 TDE= -0.263455 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004852 tlogG= -0.002872 logG= -0.007724 Density= 0.068467 ETOT(band)= 0.001190 trlgG= -0.008070 logG= -0.007724 TDE= -0.065789 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009476 tlogG= -0.009140 logG= -0.018616 Density= 0.139720 ETOT(band)= 0.004656 trlgG= -0.016912 logG= -0.018616 TDE= -0.131844 logGD-logG0= -0.019404 tlogG= -0.013396 logG= -0.032800 Density= 0.284592 ETOT(band)= 0.013992 trlgG= -0.025223 logG= -0.032800 TDE= -0.264443 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009586 tlogG= -0.006980 logG= -0.016566 Density= 0.139402 ETOT(band)= 0.004654 trlgG= -0.014846 logG= -0.016566 TDE= -0.131523 logGD-logG0= -0.009637 tlogG= -0.007606 logG= -0.017243 Density= 0.142513 ETOT(band)= 0.007262 trlgG= -0.013084 logG= -0.017243 TDE= -0.132058 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009952 tlogG= -0.006774 logG= -0.016726 Density= 0.146069 ETOT(band)= 0.009832 trlgG= -0.010531 logG= -0.016726 TDE= -0.133421 logGD-logG0= -0.009772 tlogG= -0.005138 logG= -0.014910 Density= 0.130477 ETOT(band)= -0.004273 trlgG= -0.022238 logG= -0.014910 TDE= -0.132041 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019181 tlogG= -0.014177 logG= -0.033358 Density= 0.277664 ETOT(band)= 0.007697 trlgG= -0.031457 logG= -0.033358 TDE= -0.263497 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019356 tlogG= -0.011892 logG= -0.031247 Density= 0.276959 ETOT(band)= 0.007271 trlgG= -0.030269 logG= -0.031247 TDE= -0.263746 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009809 tlogG= -0.005773 logG= -0.015582 Density= 0.141244 ETOT(band)= 0.005887 trlgG= -0.013074 logG= -0.015582 TDE= -0.132496 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009619 tlogG= -0.006750 logG= -0.016369 Density= 0.140817 ETOT(band)= 0.006005 trlgG= -0.013473 logG= -0.016369 TDE= -0.131700 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003148 tlogG= 0.068828 logG= 0.065679 Density= 0.045911 ETOT(band)= 0.000912 trlgG= 0.065611 logG= 0.065679 TDE= -0.043951 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003160 tlogG= 0.069114 logG= 0.065955 Density= 0.046255 ETOT(band)= 0.001228 trlgG= 0.066221 logG= 0.065955 TDE= -0.043945 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002362 tlogG= 0.051640 logG= 0.049278 Density= 0.034495 ETOT(band)= 0.000733 trlgG= 0.049282 logG= 0.049278 TDE= -0.032968 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003180 tlogG= 0.069513 logG= 0.066333 Density= 0.046318 ETOT(band)= 0.001321 trlgG= 0.066706 logG= 0.066333 TDE= -0.043899 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009474 tlogG= 0.207365 logG= 0.197892 Density= 0.138729 ETOT(band)= 0.003710 trlgG= 0.198632 logG= 0.197892 TDE= -0.131860 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009511 tlogG= 0.208069 logG= 0.198558 Density= 0.139216 ETOT(band)= 0.004224 trlgG= 0.199838 logG= 0.198558 TDE= -0.131786 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004728 tlogG= 0.103499 logG= 0.098771 Density= 0.069227 ETOT(band)= 0.001693 trlgG= 0.099010 logG= 0.098771 TDE= -0.065930 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 5.58040199319134 eV TrLogG= -13.9529024361856 eV Ratio to renormalize= 0.999999999741 rho-rho_expected= 0.000000004140 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 25) Finished k-point number 26 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 30) Finished k-point number 31 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 70) Finished k-point number 71 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 73) Finished k-point number 74 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 78) Finished k-point number 79 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 92) Finished k-point number 93 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 91) Finished k-point number 92 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 103) Finished k-point number 104 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930383696794923 0.926712860685775 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 76) Finished k-point number 77 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 68) Finished k-point number 69 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 70) Finished k-point number 71 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 69) Finished k-point number 70 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0046533036123 Density= 15.9996828424997 16.0000000000000 EF 13.2767671357259 Density= 16.4936230431789 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97582447 0.95582447 0.493623 -0.317158E-03 1 0.96582447 0.95582449 0.253148 -0.317158E-03 2 0.96082448 0.95582472 0.128608 -0.317158E-03 3 0.95832460 0.95582484 0.648835E-01 -0.317158E-03 4 0.95707472 0.95582454 0.324992E-01 -0.317158E-03 5 0.95644963 0.95582446 0.161481E-01 -0.317158E-03 6 0.95613705 0.95582450 0.792969E-02 -0.317158E-03 7 0.95598077 0.95582472 0.381029E-02 -0.317158E-03 8 0.95590274 0.95582485 0.175070E-02 -0.317158E-03 9 0.95586380 0.95582454 0.721940E-03 -0.317158E-03 10 0.95584417 0.95582470 0.203377E-03 -0.317158E-03 11 0.95583655 0.95582470 0.207239E-05 -0.317158E-03 12 0.95583647 0.95582470 0.148779E-07 -0.317158E-03 13 0.95583647 0.95582470 0.178701E-11 -0.317158E-03 Absolute convergence of |F(X)|. Difference in EF= 0.0001632726 EF set to : 13.0048165763 new EF (no-mixing): 13.0048165763 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.002446 tlogG= -0.002411 logG= -0.004858 Density= 0.037953 ETOT(band)= 0.002773 trlgG= -0.003036 logG= -0.004858 TDE= -0.034455 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.001227 tlogG= -0.001253 logG= -0.002480 Density= 0.019002 ETOT(band)= 0.001340 trlgG= -0.001614 logG= -0.002480 TDE= -0.017297 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004893 tlogG= -0.004636 logG= -0.009528 Density= 0.075929 ETOT(band)= 0.005565 trlgG= -0.005861 logG= -0.009528 TDE= -0.068908 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.001601 tlogG= -0.001337 logG= -0.002939 Density= 0.022807 ETOT(band)= -0.000026 trlgG= -0.003479 logG= -0.002939 TDE= -0.022340 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009821 tlogG= -0.008098 logG= -0.017919 Density= 0.150819 ETOT(band)= 0.011398 trlgG= -0.010420 logG= -0.017919 TDE= -0.136659 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009825 tlogG= -0.008703 logG= -0.018528 Density= 0.151025 ETOT(band)= 0.011485 trlgG= -0.010963 logG= -0.018528 TDE= -0.136791 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009837 tlogG= -0.008836 logG= -0.018673 Density= 0.151449 ETOT(band)= 0.011453 trlgG= -0.011103 logG= -0.018673 TDE= -0.137190 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019641 tlogG= -0.015970 logG= -0.035612 Density= 0.301765 ETOT(band)= 0.022692 trlgG= -0.020722 logG= -0.035612 TDE= -0.273548 logGD-logG0= -0.009795 tlogG= -0.007838 logG= -0.017634 Density= 0.150209 ETOT(band)= 0.011840 trlgG= -0.009649 logG= -0.017634 TDE= -0.135591 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009793 tlogG= -0.009563 logG= -0.019355 logGD-logG0= -0.002451 tlogG= -0.002087 logG= -0.004538 Density= 0.037528 ETOT(band)= 0.002832 trlgG= -0.002699 logG= -0.004538 TDE= -0.034031 Density= 0.151909 ETOT(band)= 0.010969 trlgG= -0.012180 logG= -0.019355 TDE= -0.138024 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.019621 tlogG= -0.014852 logG= -0.034473 Density= 0.299743 ETOT(band)= 0.022752 trlgG= -0.019304 logG= -0.034473 TDE= -0.271336 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009837 tlogG= -0.006677 logG= -0.016514 Density= 0.147497 ETOT(band)= 0.009321 trlgG= -0.010963 logG= -0.016514 TDE= -0.135432 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004893 tlogG= -0.003585 logG= -0.008478 Density= 0.074858 ETOT(band)= 0.005405 trlgG= -0.004943 logG= -0.008478 TDE= -0.068016 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003196 tlogG= -0.002567 logG= -0.005762 Density= 0.045438 ETOT(band)= -0.000054 trlgG= -0.006882 logG= -0.005762 TDE= -0.044551 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003177 tlogG= -0.002590 logG= -0.005768 Density= 0.045659 ETOT(band)= 0.000343 trlgG= -0.006415 logG= -0.005768 TDE= -0.044291 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009843 tlogG= -0.006735 logG= -0.016578 logGD-logG0= -0.004913 tlogG= -0.004211 logG= -0.009124 Density= 0.143467 ETOT(band)= 0.005263 trlgG= -0.014997 logG= -0.016578 TDE= -0.135550 Density= 0.075604 ETOT(band)= 0.005615 trlgG= -0.005469 logG= -0.009124 TDE= -0.068610 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009592 tlogG= -0.007485 logG= -0.017077 logGD-logG0= -0.003149 tlogG= -0.002637 logG= -0.005786 Density= 0.045917 ETOT(band)= 0.000838 trlgG= -0.005870 logG= -0.005786 TDE= -0.043973 Density= 0.136783 ETOT(band)= 0.000205 trlgG= -0.020132 logG= -0.017077 TDE= -0.133797 logGD-logG0= -0.009601 tlogG= -0.007574 logG= -0.017174 Density= 0.136909 ETOT(band)= 0.000147 trlgG= -0.020274 logG= -0.017174 TDE= -0.133963 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009577 tlogG= -0.007411 logG= -0.016988 Density= 0.136815 ETOT(band)= 0.000583 trlgG= -0.019631 logG= -0.016988 TDE= -0.133415 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009609 tlogG= -0.006762 logG= -0.016371 Density= 0.137985 ETOT(band)= 0.001492 trlgG= -0.018267 logG= -0.016371 TDE= -0.133787 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009520 tlogG= -0.007470 logG= -0.016990 Density= 0.137445 ETOT(band)= 0.001851 trlgG= -0.018113 logG= -0.016990 TDE= -0.132499 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009841 tlogG= -0.007603 logG= -0.017444 Density= 0.149297 ETOT(band)= 0.011759 trlgG= -0.009518 logG= -0.017444 TDE= -0.134777 logGD-logG0= -0.009555 tlogG= -0.007438 logG= -0.016993 Density= 0.137035 ETOT(band)= 0.000979 trlgG= -0.019150 logG= -0.016993 TDE= -0.133141 logGD-logG0= -0.009905 tlogG= -0.007192 logG= -0.017097 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009861 tlogG= -0.006604 logG= -0.016466 Density= 0.142237 ETOT(band)= 0.004751 trlgG= -0.015287 logG= -0.016466 TDE= -0.134776 Density= 0.147968 ETOT(band)= 0.010159 trlgG= -0.010746 logG= -0.017097 TDE= -0.135083 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009705 tlogG= -0.006448 logG= -0.016152 logGD-logG0= -0.009581 tlogG= -0.006630 logG= -0.016211 Density= 0.140144 ETOT(band)= 0.003926 trlgG= -0.015519 logG= -0.016152 TDE= -0.133321 Density= 0.137752 ETOT(band)= 0.001753 trlgG= -0.017780 logG= -0.016211 TDE= -0.133237 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009552 tlogG= -0.006913 logG= -0.016465 Density= 0.139027 ETOT(band)= 0.003640 trlgG= -0.015751 logG= -0.016465 TDE= -0.132173 logGD-logG0= -0.009769 tlogG= -0.006645 logG= -0.016413 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.143511 ETOT(band)= 0.007470 trlgG= -0.012343 logG= -0.016413 TDE= -0.133103 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009645 tlogG= -0.005719 logG= -0.015364 Density= 0.136850 ETOT(band)= 0.001009 trlgG= -0.017726 logG= -0.015364 TDE= -0.133168 logGD-logG0= -0.004863 tlogG= -0.002636 logG= -0.007499 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.065511 ETOT(band)= -0.002217 trlgG= -0.011257 logG= -0.007499 TDE= -0.066375 logGD-logG0= -0.009692 tlogG= -0.005756 logG= -0.015448 Density= 0.133985 ETOT(band)= -0.002211 trlgG= -0.021001 logG= -0.015448 TDE= -0.133621 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009682 tlogG= -0.006238 logG= -0.015920 Density= 0.138552 ETOT(band)= 0.002154 trlgG= -0.017088 logG= -0.015920 TDE= -0.133601 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019407 tlogG= -0.011068 logG= -0.030475 Density= 0.271223 ETOT(band)= -0.000917 trlgG= -0.038059 logG= -0.030475 TDE= -0.266829 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019193 tlogG= -0.013921 logG= -0.033114 Density= 0.275383 ETOT(band)= 0.002718 trlgG= -0.037052 logG= -0.033114 TDE= -0.267158 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009909 tlogG= -0.006606 logG= -0.016515 Density= 0.142735 ETOT(band)= 0.004699 trlgG= -0.015489 logG= -0.016515 TDE= -0.135405 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019298 tlogG= -0.012166 logG= -0.031464 Density= 0.277944 ETOT(band)= 0.005409 trlgG= -0.032938 logG= -0.031464 TDE= -0.267143 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019427 tlogG= -0.011670 logG= -0.031097 Density= 0.274972 ETOT(band)= 0.002177 trlgG= -0.035604 logG= -0.031097 TDE= -0.267336 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019549 tlogG= -0.012241 logG= -0.031790 Density= 0.280996 ETOT(band)= 0.007829 trlgG= -0.030924 logG= -0.031790 TDE= -0.267720 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019846 tlogG= -0.012880 logG= -0.032726 Density= 0.289944 ETOT(band)= 0.016568 trlgG= -0.023283 logG= -0.032726 TDE= -0.267695 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019509 tlogG= -0.010396 logG= -0.029905 Density= 0.264013 ETOT(band)= -0.007009 trlgG= -0.043245 logG= -0.029905 TDE= -0.265693 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009783 tlogG= -0.005000 logG= -0.014783 logGD-logG0= -0.000393 tlogG= 0.008587 logG= 0.008195 Density= 0.005725 ETOT(band)= 0.000099 trlgG= 0.008173 logG= 0.008195 TDE= -0.005494 Density= 0.130719 ETOT(band)= -0.004759 trlgG= -0.022627 logG= -0.014783 TDE= -0.132790 logGD-logG0= -0.019646 tlogG= -0.012117 logG= -0.031763 Density= 0.279701 ETOT(band)= 0.005265 trlgG= -0.033554 logG= -0.031763 TDE= -0.269140 logGD-logG0= -0.004851 tlogG= -0.003160 logG= -0.008011 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.067652 ETOT(band)= -0.000844 trlgG= -0.010555 logG= -0.008011 TDE= -0.067208 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019590 tlogG= -0.011345 logG= -0.030935 Density= 0.277664 ETOT(band)= 0.004619 trlgG= -0.033167 logG= -0.030935 TDE= -0.267632 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009784 tlogG= -0.005285 logG= -0.015069 Density= 0.139744 ETOT(band)= 0.003400 trlgG= -0.015118 logG= -0.015069 TDE= -0.133621 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019463 tlogG= -0.010709 logG= -0.030172 Density= 0.274008 ETOT(band)= 0.002948 trlgG= -0.033649 logG= -0.030172 TDE= -0.265384 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009731 tlogG= -0.005249 logG= -0.014980 Density= 0.136349 ETOT(band)= 0.000154 trlgG= -0.017992 logG= -0.014980 TDE= -0.133340 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019768 tlogG= -0.012961 logG= -0.032729 Density= 0.284528 ETOT(band)= 0.009040 trlgG= -0.030939 logG= -0.032729 TDE= -0.270172 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009736 tlogG= -0.005611 logG= -0.015348 Density= 0.135846 ETOT(band)= -0.000641 trlgG= -0.019253 logG= -0.015348 TDE= -0.133752 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019523 tlogG= -0.010638 logG= -0.030161 Density= 0.277529 ETOT(band)= 0.005455 trlgG= -0.031482 logG= -0.030161 TDE= -0.266594 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019303 tlogG= -0.012455 logG= -0.031757 Density= 0.278020 ETOT(band)= 0.005785 trlgG= -0.032699 logG= -0.031757 TDE= -0.266683 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019235 tlogG= -0.012529 logG= -0.031765 Density= 0.278756 ETOT(band)= 0.007686 trlgG= -0.030363 logG= -0.031765 TDE= -0.265044 logGD-logG0= -0.009607 tlogG= -0.006944 logG= -0.016551 Density= 0.138516 ETOT(band)= 0.002402 trlgG= -0.017317 logG= -0.016551 TDE= -0.133165 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009722 tlogG= -0.005590 logG= -0.015312 Density= 0.133340 ETOT(band)= -0.002806 trlgG= -0.021400 logG= -0.015312 TDE= -0.133539 logGD-logG0= -0.009942 tlogG= -0.006040 logG= -0.015982 logGD-logG0= -0.002475 tlogG= -0.001882 logG= -0.004356 Density= 0.144071 ETOT(band)= 0.007168 trlgG= -0.012364 logG= -0.015982 TDE= -0.134090 Density= 0.037057 ETOT(band)= 0.002872 trlgG= -0.002405 logG= -0.004356 TDE= -0.033469 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019502 tlogG= -0.010824 logG= -0.030326 Density= 0.271964 ETOT(band)= -0.000771 trlgG= -0.037623 logG= -0.030326 TDE= -0.267250 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009748 tlogG= -0.005381 logG= -0.015129 Density= 0.136776 ETOT(band)= 0.000460 trlgG= -0.017879 logG= -0.015129 TDE= -0.133486 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019446 tlogG= -0.011926 logG= -0.031373 Density= 0.270319 ETOT(band)= -0.003022 trlgG= -0.041237 logG= -0.031373 TDE= -0.268246 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009601 tlogG= -0.006961 logG= -0.016561 Density= 0.137613 ETOT(band)= 0.001050 trlgG= -0.018906 logG= -0.016561 TDE= -0.133880 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019318 tlogG= -0.012307 logG= -0.031625 Density= 0.278260 ETOT(band)= 0.005429 trlgG= -0.033131 logG= -0.031625 TDE= -0.267477 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019555 tlogG= -0.010315 logG= -0.029870 Density= 0.266879 ETOT(band)= -0.005026 trlgG= -0.041293 logG= -0.029870 TDE= -0.266515 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004875 tlogG= -0.002723 logG= -0.007599 Density= 0.068592 ETOT(band)= 0.000375 trlgG= -0.008884 logG= -0.007599 TDE= -0.066848 logGD-logG0= -0.009530 tlogG= -0.007853 logG= -0.017383 Density= 0.138662 ETOT(band)= 0.003643 trlgG= -0.016544 logG= -0.017383 TDE= -0.131699 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019229 tlogG= -0.011833 logG= -0.031062 Density= 0.276528 ETOT(band)= 0.005316 trlgG= -0.032415 logG= -0.031062 TDE= -0.265668 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009542 tlogG= -0.008519 logG= -0.018060 Density= 0.140926 ETOT(band)= 0.005797 trlgG= -0.015304 logG= -0.018060 TDE= -0.131946 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002419 tlogG= -0.001988 logG= -0.004407 Density= 0.035823 ETOT(band)= 0.001958 trlgG= -0.003234 logG= -0.004407 TDE= -0.033068 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009827 tlogG= -0.007248 logG= -0.017075 Density= 0.145035 ETOT(band)= 0.009232 trlgG= -0.011161 logG= -0.017075 TDE= -0.132716 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009477 tlogG= -0.008914 logG= -0.018392 Density= 0.139528 ETOT(band)= 0.004467 trlgG= -0.016804 logG= -0.018392 TDE= -0.131778 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009753 tlogG= -0.005431 logG= -0.015184 Density= 0.133934 ETOT(band)= -0.001056 trlgG= -0.019449 logG= -0.015184 TDE= -0.132284 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009636 tlogG= -0.006458 logG= -0.016094 Density= 0.137532 ETOT(band)= 0.002456 trlgG= -0.016882 logG= -0.016094 TDE= -0.132246 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004851 tlogG= -0.002870 logG= -0.007722 Density= 0.068450 ETOT(band)= 0.001174 trlgG= -0.008084 logG= -0.007722 TDE= -0.065789 logGD-logG0= -0.009476 tlogG= -0.009141 logG= -0.018617 Density= 0.139721 ETOT(band)= 0.004657 trlgG= -0.016910 logG= -0.018617 TDE= -0.131844 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009774 tlogG= -0.005141 logG= -0.014915 Density= 0.130475 ETOT(band)= -0.004272 trlgG= -0.022244 logG= -0.014915 TDE= -0.132041 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002371 tlogG= -0.002369 logG= -0.004740 Density= 0.034905 ETOT(band)= 0.001134 trlgG= -0.004358 logG= -0.004740 TDE= -0.032981 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009952 tlogG= -0.006775 logG= -0.016726 Density= 0.146070 ETOT(band)= 0.009834 trlgG= -0.010529 logG= -0.016726 TDE= -0.133421 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019126 tlogG= -0.013968 logG= -0.033094 Density= 0.275986 ETOT(band)= 0.004489 trlgG= -0.034853 logG= -0.033094 TDE= -0.265557 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009809 tlogG= -0.005773 logG= -0.015582 Density= 0.141244 ETOT(band)= 0.005889 trlgG= -0.013072 logG= -0.015582 TDE= -0.132496 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019067 tlogG= -0.015942 logG= -0.035009 Density= 0.280521 ETOT(band)= 0.010576 trlgG= -0.030333 logG= -0.035009 TDE= -0.263456 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009618 tlogG= -0.006729 logG= -0.016347 Density= 0.137917 ETOT(band)= 0.001504 trlgG= -0.018264 logG= -0.016347 TDE= -0.133743 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019356 tlogG= -0.011890 logG= -0.031246 Density= 0.276953 ETOT(band)= 0.007268 trlgG= -0.030271 logG= -0.031246 TDE= -0.263747 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003180 tlogG= 0.069515 logG= 0.066335 Density= 0.046318 ETOT(band)= 0.001321 trlgG= 0.066709 logG= 0.066335 TDE= -0.043899 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003160 tlogG= 0.069115 logG= 0.065955 Density= 0.046255 ETOT(band)= 0.001229 trlgG= 0.066222 logG= 0.065955 TDE= -0.043945 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003148 tlogG= 0.068829 logG= 0.065680 Density= 0.045911 ETOT(band)= 0.000912 trlgG= 0.065613 logG= 0.065680 TDE= -0.043951 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009576 tlogG= -0.007515 logG= -0.017092 logGD-logG0= -0.009665 tlogG= -0.006045 logG= -0.015710 Density= 0.137684 ETOT(band)= 0.002409 trlgG= -0.017620 logG= -0.017092 TDE= -0.132132 Density= 0.138009 ETOT(band)= 0.001637 trlgG= -0.017461 logG= -0.015710 TDE= -0.133665 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002362 tlogG= 0.051641 logG= 0.049279 Density= 0.034495 ETOT(band)= 0.000734 trlgG= 0.049283 logG= 0.049279 TDE= -0.032968 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009711 tlogG= -0.006135 logG= -0.015846 Density= 0.135831 ETOT(band)= -0.000816 trlgG= -0.020079 logG= -0.015846 TDE= -0.134066 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009586 tlogG= -0.006978 logG= -0.016565 Density= 0.139402 ETOT(band)= 0.004656 trlgG= -0.014843 logG= -0.016565 TDE= -0.131524 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019405 tlogG= -0.013396 logG= -0.032801 Density= 0.284594 ETOT(band)= 0.013997 trlgG= -0.025220 logG= -0.032801 TDE= -0.264444 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009594 tlogG= -0.007411 logG= -0.017005 Density= 0.140996 ETOT(band)= 0.005935 trlgG= -0.014132 logG= -0.017005 TDE= -0.131896 logGD-logG0= -0.009474 tlogG= 0.207368 logG= 0.197894 Density= 0.138729 ETOT(band)= 0.003711 trlgG= 0.198636 logG= 0.197894 TDE= -0.131860 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009637 tlogG= -0.007606 logG= -0.017243 Density= 0.142513 ETOT(band)= 0.007263 trlgG= -0.013083 logG= -0.017243 TDE= -0.132058 logGD-logG0= -0.019183 tlogG= -0.014179 logG= -0.033362 Density= 0.277664 ETOT(band)= 0.007701 trlgG= -0.031459 logG= -0.033362 TDE= -0.263498 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009621 tlogG= -0.006753 logG= -0.016374 Density= 0.140816 ETOT(band)= 0.006007 trlgG= -0.013478 logG= -0.016374 TDE= -0.131700 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009511 tlogG= -0.008080 logG= -0.017591 Density= 0.138929 ETOT(band)= 0.004025 trlgG= -0.016427 logG= -0.017591 TDE= -0.131630 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004757 tlogG= -0.004067 logG= -0.008824 Density= 0.069980 ETOT(band)= 0.002527 trlgG= -0.007766 logG= -0.008824 TDE= -0.065831 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009512 tlogG= 0.208070 logG= 0.198558 Density= 0.139216 ETOT(band)= 0.004226 trlgG= 0.199840 logG= 0.198558 TDE= -0.131787 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004728 tlogG= 0.103500 logG= 0.098772 Density= 0.069227 ETOT(band)= 0.001694 trlgG= 0.099012 logG= 0.098772 TDE= -0.065930 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 5.58241247969741 eV TrLogG= -13.9508518934848 eV Ratio to renormalize= 0.999999999741 rho-rho_expected= 0.000000004143 nargs= 1 argi=dmft2.def 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 31) Finished k-point number 32 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 30) Finished k-point number 31 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 28) Finished k-point number 29 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 16) Finished k-point number 17 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 58) Finished k-point number 59 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 75) Finished k-point number 76 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 65) Finished k-point number 66 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 90) Finished k-point number 91 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 59) Finished k-point number 60 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 71) Finished k-point number 72 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 76) Finished k-point number 77 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 96) Finished k-point number 97 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 77) Finished k-point number 78 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 103) Finished k-point number 104 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930317865331196 0.926737035227707 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 49) Finished k-point number 50 1 with #bands= 20 5) Finished k-point number 6 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0048165762594 Density= 15.9234106423594 16.0000000000000 EF 13.2769304083730 Density= 16.4287614173089 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97583647 0.95583647 0.428761 -0.765894E-01 1 0.96583647 0.95583649 0.185669 -0.765894E-01 2 0.96083648 0.95583672 0.581525E-01 -0.765894E-01 3 0.95864296 0.95583672 0.162976E-03 -0.765894E-01 4 0.95863688 0.95583672 0.992103E-07 -0.765894E-01 5 0.95863688 0.95583672 0.149214E-12 -0.765894E-01 Absolute convergence of |F(X)|. Difference in EF too large to mix 3.810148081118930E-002 cutoff= 2.9999999E-02 Difference in EF= 0.0381014808 EF set to : 13.0429180571 new EF (no-mixing): 13.0429180571 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001199 tlogG= -0.001249 logG= -0.002448 Density= 0.018990 ETOT(band)= 0.001327 trlgG= -0.001577 logG= -0.002448 TDE= -0.017333 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002390 tlogG= -0.002404 logG= -0.004794 Density= 0.037931 ETOT(band)= 0.002748 trlgG= -0.002960 logG= -0.004794 TDE= -0.034527 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009568 tlogG= -0.009533 logG= -0.019101 Density= 0.151821 ETOT(band)= 0.010870 trlgG= -0.011874 logG= -0.019101 TDE= -0.138314 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004780 tlogG= -0.004621 logG= -0.009401 Density= 0.075885 ETOT(band)= 0.005516 trlgG= -0.005708 logG= -0.009401 TDE= -0.069053 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002395 tlogG= -0.002080 logG= -0.004475 Density= 0.037484 ETOT(band)= 0.002784 trlgG= -0.002645 logG= -0.004475 TDE= -0.034104 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001564 tlogG= -0.001325 logG= -0.002889 Density= 0.022791 ETOT(band)= -0.000045 trlgG= -0.003428 logG= -0.002889 TDE= -0.022388 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009620 tlogG= -0.006696 logG= -0.016316 Density= 0.143633 ETOT(band)= 0.005385 trlgG= -0.014465 logG= -0.016316 TDE= -0.135840 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004800 tlogG= -0.004197 logG= -0.008997 Density= 0.075556 ETOT(band)= 0.005560 trlgG= -0.005321 logG= -0.008997 TDE= -0.068755 logGD-logG0= -0.009595 tlogG= -0.008068 logG= -0.017663 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.150704 ETOT(band)= 0.011269 trlgG= -0.010141 logG= -0.017663 TDE= -0.136949 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009599 tlogG= -0.008673 logG= -0.018273 Density= 0.150915 ETOT(band)= 0.011361 trlgG= -0.010681 logG= -0.018273 TDE= -0.137081 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009611 tlogG= -0.008806 logG= -0.018417 Density= 0.151355 ETOT(band)= 0.011346 trlgG= -0.010802 logG= -0.018417 TDE= -0.137480 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009570 tlogG= -0.007808 logG= -0.017377 Density= 0.150061 ETOT(band)= 0.011676 trlgG= -0.009405 logG= -0.017377 TDE= -0.135881 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019189 tlogG= -0.015909 logG= -0.035099 Density= 0.301558 ETOT(band)= 0.022457 trlgG= -0.020143 logG= -0.035099 TDE= -0.274129 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019168 tlogG= -0.014791 logG= -0.033959 Density= 0.299453 ETOT(band)= 0.022424 trlgG= -0.018808 logG= -0.033959 TDE= -0.271916 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009610 tlogG= -0.006646 logG= -0.016256 Density= 0.147309 ETOT(band)= 0.009105 trlgG= -0.010763 logG= -0.016256 TDE= -0.135722 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004780 tlogG= -0.003570 logG= -0.008350 Density= 0.074808 ETOT(band)= 0.005346 trlgG= -0.004798 logG= -0.008350 TDE= -0.068161 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003121 tlogG= -0.002543 logG= -0.005664 Density= 0.045411 ETOT(band)= -0.000088 trlgG= -0.006779 logG= -0.005664 TDE= -0.044648 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003074 tlogG= -0.002616 logG= -0.005691 Density= 0.045898 ETOT(band)= 0.000811 trlgG= -0.005754 logG= -0.005691 TDE= -0.044063 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009376 tlogG= -0.007504 logG= -0.016880 logGD-logG0= -0.003103 tlogG= -0.002568 logG= -0.005672 Density= 0.045636 ETOT(band)= 0.000313 trlgG= -0.006311 logG= -0.005672 TDE= -0.044387 Density= 0.136835 ETOT(band)= 0.000048 trlgG= -0.019958 logG= -0.016880 TDE= -0.134253 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009353 tlogG= -0.007340 logG= -0.016693 Density= 0.136749 ETOT(band)= 0.000493 trlgG= -0.019306 logG= -0.016693 TDE= -0.133706 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009369 tlogG= -0.007418 logG= -0.016786 Density= 0.136709 ETOT(band)= 0.000107 trlgG= -0.019820 logG= -0.016786 TDE= -0.134088 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009385 tlogG= -0.006702 logG= -0.016087 Density= 0.137951 ETOT(band)= 0.001425 trlgG= -0.017919 logG= -0.016087 TDE= -0.134077 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009614 tlogG= -0.007570 logG= -0.017184 Density= 0.149059 ETOT(band)= 0.011499 trlgG= -0.009358 logG= -0.017184 TDE= -0.135068 logGD-logG0= -0.009297 tlogG= -0.007406 logG= -0.016703 Density= 0.137390 ETOT(band)= 0.001771 trlgG= -0.017785 logG= -0.016703 TDE= -0.132789 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009359 tlogG= -0.006571 logG= -0.015929 Density= 0.137717 ETOT(band)= 0.001687 trlgG= -0.017437 logG= -0.015929 TDE= -0.133528 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009382 tlogG= -0.006886 logG= -0.016268 logGD-logG0= -0.009332 tlogG= -0.007373 logG= -0.016705 Density= 0.136971 ETOT(band)= 0.000892 trlgG= -0.018831 logG= -0.016705 TDE= -0.133431 Density= 0.138492 ETOT(band)= 0.002344 trlgG= -0.016960 logG= -0.016268 TDE= -0.133456 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009328 tlogG= -0.006857 logG= -0.016185 Density= 0.139030 ETOT(band)= 0.003605 trlgG= -0.015408 logG= -0.016185 TDE= -0.132502 logGD-logG0= -0.009645 tlogG= -0.006551 logG= -0.016195 Density= 0.142410 ETOT(band)= 0.004870 trlgG= -0.014743 logG= -0.016195 TDE= -0.135067 logGD-logG0= -0.009440 tlogG= -0.005980 logG= -0.015421 Density= 0.138070 ETOT(band)= 0.001658 trlgG= -0.017017 logG= -0.015421 TDE= -0.133956 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009677 tlogG= -0.007159 logG= -0.016836 logGD-logG0= -0.004738 tlogG= -0.003123 logG= -0.007861 Density= 0.147693 ETOT(band)= 0.009855 trlgG= -0.010626 logG= -0.016836 TDE= -0.135373 Density= 0.067626 ETOT(band)= -0.000881 trlgG= -0.010361 logG= -0.007861 TDE= -0.067329 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009395 tlogG= -0.006670 logG= -0.016065 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137893 ETOT(band)= 0.001447 trlgG= -0.017910 logG= -0.016065 TDE= -0.134034 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009481 tlogG= -0.006397 logG= -0.015878 Density= 0.140237 ETOT(band)= 0.003970 trlgG= -0.015053 logG= -0.015878 TDE= -0.133611 logGD-logG0= -0.009466 tlogG= -0.005678 logG= -0.015144 Density= 0.133842 ETOT(band)= -0.002381 trlgG= -0.020702 logG= -0.015144 TDE= -0.133863 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004751 tlogG= -0.002597 logG= -0.007349 Density= 0.065381 ETOT(band)= -0.002367 trlgG= -0.011169 logG= -0.007349 TDE= -0.066496 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009483 tlogG= -0.006060 logG= -0.015543 Density= 0.135861 ETOT(band)= -0.000819 trlgG= -0.019610 logG= -0.015543 TDE= -0.134308 logGD-logG0= -0.009458 tlogG= -0.006181 logG= -0.015640 logGD-logG0= -0.009548 tlogG= -0.006604 logG= -0.016152 Density= 0.143500 ETOT(band)= 0.007413 trlgG= -0.011981 logG= -0.016152 TDE= -0.133394 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138626 ETOT(band)= 0.002185 trlgG= -0.016639 logG= -0.015640 TDE= -0.133891 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009420 tlogG= -0.005657 logG= -0.015077 Density= 0.136877 ETOT(band)= 0.000996 trlgG= -0.017320 logG= -0.015077 TDE= -0.133458 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009378 tlogG= -0.006900 logG= -0.016279 Density= 0.137570 ETOT(band)= 0.000977 trlgG= -0.018570 logG= -0.016279 TDE= -0.134171 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009693 tlogG= -0.006555 logG= -0.016248 Density= 0.142929 ETOT(band)= 0.004843 trlgG= -0.014926 logG= -0.016248 TDE= -0.135695 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019339 tlogG= -0.012848 logG= -0.032187 Density= 0.284916 ETOT(band)= 0.009324 trlgG= -0.029808 logG= -0.032187 TDE= -0.270752 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018747 tlogG= -0.013793 logG= -0.032539 Density= 0.275297 ETOT(band)= 0.002572 trlgG= -0.036368 logG= -0.032539 TDE= -0.267739 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018855 tlogG= -0.012345 logG= -0.031200 Density= 0.278081 ETOT(band)= 0.005763 trlgG= -0.031885 logG= -0.031200 TDE= -0.267263 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019106 tlogG= -0.012139 logG= -0.031245 Density= 0.281309 ETOT(band)= 0.008032 trlgG= -0.029872 logG= -0.031245 TDE= -0.268301 logGD-logG0= -0.018958 tlogG= -0.010940 logG= -0.029898 Density= 0.271386 ETOT(band)= -0.000834 trlgG= -0.037147 logG= -0.029898 TDE= -0.267410 logGD-logG0= -0.018977 tlogG= -0.011541 logG= -0.030517 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.275287 ETOT(band)= 0.002400 trlgG= -0.034533 logG= -0.030517 TDE= -0.267916 logGD-logG0= -0.018872 tlogG= -0.012190 logG= -0.031061 logGD-logG0= -0.018852 tlogG= -0.012045 logG= -0.030897 logGD-logG0= -0.019055 tlogG= -0.010267 logG= -0.029321 Density= 0.277983 ETOT(band)= 0.005368 trlgG= -0.032137 logG= -0.030897 TDE= -0.267724 Density= 0.263932 ETOT(band)= -0.007195 trlgG= -0.042580 logG= -0.029321 TDE= -0.266274 Density= 0.278306 ETOT(band)= 0.005392 trlgG= -0.032325 logG= -0.031061 TDE= -0.268058 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018786 tlogG= -0.012422 logG= -0.031208 Density= 0.278868 ETOT(band)= 0.007706 trlgG= -0.029573 logG= -0.031208 TDE= -0.265699 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009566 tlogG= -0.004926 logG= -0.014492 Density= 0.130820 ETOT(band)= -0.004724 trlgG= -0.022171 logG= -0.014492 TDE= -0.133088 logGD-logG0= -0.019395 tlogG= -0.012808 logG= -0.032203 Density= 0.289669 ETOT(band)= 0.016212 trlgG= -0.022792 logG= -0.032203 TDE= -0.268276 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018677 tlogG= -0.013838 logG= -0.032516 Density= 0.275912 ETOT(band)= 0.004356 trlgG= -0.034154 logG= -0.032516 TDE= -0.266138 logGD-logG0= -0.009492 tlogG= -0.005509 logG= -0.015001 Density= 0.133139 ETOT(band)= -0.003039 trlgG= -0.021151 logG= -0.015001 TDE= -0.133781 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000384 tlogG= 0.008617 logG= 0.008233 Density= 0.005721 ETOT(band)= 0.000094 trlgG= 0.008211 logG= 0.008233 TDE= -0.005506 logGD-logG0= -0.018777 tlogG= -0.011717 logG= -0.030494 logGD-logG0= -0.019205 tlogG= -0.011997 logG= -0.031202 Density= 0.276561 ETOT(band)= 0.005266 trlgG= -0.031622 logG= -0.030494 TDE= -0.266249 Density= 0.280070 ETOT(band)= 0.005527 trlgG= -0.032438 logG= -0.031202 TDE= -0.269721 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019071 tlogG= -0.010533 logG= -0.029604 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.277967 ETOT(band)= 0.005781 trlgG= -0.030309 logG= -0.029604 TDE= -0.267175 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018995 tlogG= -0.011780 logG= -0.030775 Density= 0.270240 ETOT(band)= -0.003160 trlgG= -0.040443 logG= -0.030775 TDE= -0.268730 logGD-logG0= -0.009560 tlogG= -0.005235 logG= -0.014795 Density= 0.139937 ETOT(band)= 0.003541 trlgG= -0.014558 logG= -0.014795 TDE= -0.133911 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019144 tlogG= -0.011229 logG= -0.030373 Density= 0.277973 ETOT(band)= 0.004817 trlgG= -0.032111 logG= -0.030373 TDE= -0.268213 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009715 tlogG= -0.006002 logG= -0.015717 Density= 0.143981 ETOT(band)= 0.007034 trlgG= -0.012072 logG= -0.015717 TDE= -0.134381 logGD-logG0= -0.019045 tlogG= -0.010698 logG= -0.029743 Density= 0.272246 ETOT(band)= -0.000582 trlgG= -0.036588 logG= -0.029743 TDE= -0.267830 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019009 tlogG= -0.010611 logG= -0.029619 Density= 0.274388 ETOT(band)= 0.003200 trlgG= -0.032631 logG= -0.029619 TDE= -0.266050 logGD-logG0= -0.019094 tlogG= -0.010180 logG= -0.029275 Density= 0.267023 ETOT(band)= -0.004982 trlgG= -0.040393 logG= -0.029275 TDE= -0.267096 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009509 tlogG= -0.005542 logG= -0.015051 Density= 0.135889 ETOT(band)= -0.000632 trlgG= -0.018778 logG= -0.015051 TDE= -0.133994 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009501 tlogG= -0.005183 logG= -0.014683 Density= 0.136436 ETOT(band)= 0.000201 trlgG= -0.017483 logG= -0.014683 TDE= -0.133592 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009519 tlogG= -0.005318 logG= -0.014838 Density= 0.136882 ETOT(band)= 0.000523 trlgG= -0.017394 logG= -0.014838 TDE= -0.133776 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004762 tlogG= -0.002692 logG= -0.007454 Density= 0.068626 ETOT(band)= 0.000388 trlgG= -0.008660 logG= -0.007454 TDE= -0.066993 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002418 tlogG= -0.001874 logG= -0.004292 Density= 0.036981 ETOT(band)= 0.002788 trlgG= -0.002382 logG= -0.004292 TDE= -0.033541 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002315 tlogG= -0.002356 logG= -0.004671 Density= 0.034892 ETOT(band)= 0.001112 trlgG= -0.004275 logG= -0.004671 TDE= -0.033053 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002363 tlogG= -0.001978 logG= -0.004341 Density= 0.035811 ETOT(band)= 0.001935 trlgG= -0.003152 logG= -0.004341 TDE= -0.033141 logGD-logG0= -0.009254 tlogG= -0.008858 logG= -0.018112 Density= 0.139474 ETOT(band)= 0.004378 trlgG= -0.016476 logG= -0.018112 TDE= -0.132069 logGD-logG0= -0.009319 tlogG= -0.008470 logG= -0.017789 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.140898 ETOT(band)= 0.005726 trlgG= -0.014955 logG= -0.017789 TDE= -0.132236 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009305 tlogG= -0.007795 logG= -0.017101 Density= 0.138616 ETOT(band)= 0.003566 trlgG= -0.016207 logG= -0.017101 TDE= -0.131989 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009371 tlogG= -0.007364 logG= -0.016735 Density= 0.141001 ETOT(band)= 0.005894 trlgG= -0.013762 logG= -0.016735 TDE= -0.132197 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004645 tlogG= -0.004041 logG= -0.008685 Density= 0.069959 ETOT(band)= 0.002487 trlgG= -0.007596 logG= -0.008685 TDE= -0.065976 logGD-logG0= -0.009604 tlogG= -0.007211 logG= -0.016815 Density= 0.144919 ETOT(band)= 0.009072 trlgG= -0.010897 logG= -0.016815 TDE= -0.133007 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009286 tlogG= -0.008020 logG= -0.017306 Density= 0.138882 ETOT(band)= 0.003945 trlgG= -0.016090 logG= -0.017306 TDE= -0.131920 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009351 tlogG= -0.007450 logG= -0.016801 Density= 0.137628 ETOT(band)= 0.002326 trlgG= -0.017288 logG= -0.016801 TDE= -0.132422 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009361 tlogG= -0.006926 logG= -0.016287 Density= 0.139382 ETOT(band)= 0.004597 trlgG= -0.014500 logG= -0.016287 TDE= -0.131830 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004738 tlogG= -0.002843 logG= -0.007581 Density= 0.068404 ETOT(band)= 0.001103 trlgG= -0.007965 logG= -0.007581 TDE= -0.065958 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009526 tlogG= -0.005368 logG= -0.014894 Density= 0.133791 ETOT(band)= -0.001252 trlgG= -0.019211 logG= -0.014894 TDE= -0.132574 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009411 tlogG= -0.006399 logG= -0.015811 Density= 0.137487 ETOT(band)= 0.002378 trlgG= -0.016548 logG= -0.015811 TDE= -0.132537 logGD-logG0= -0.018618 tlogG= -0.015839 logG= -0.034458 Density= 0.280464 ETOT(band)= 0.010437 trlgG= -0.029632 logG= -0.034458 TDE= -0.264038 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018958 tlogG= -0.013306 logG= -0.032264 Density= 0.284668 ETOT(band)= 0.013966 trlgG= -0.024490 logG= -0.032264 TDE= -0.265118 logGD-logG0= -0.009724 tlogG= -0.006743 logG= -0.016468 Density= 0.145843 ETOT(band)= 0.009569 trlgG= -0.010369 logG= -0.016468 TDE= -0.133712 logGD-logG0= -0.009253 tlogG= -0.009087 logG= -0.018340 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.139669 ETOT(band)= 0.004570 trlgG= -0.016582 logG= -0.018340 TDE= -0.132134 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009415 tlogG= -0.007563 logG= -0.016978 logGD-logG0= -0.018730 tlogG= -0.014067 logG= -0.032797 Density= 0.277622 ETOT(band)= 0.007584 trlgG= -0.030758 logG= -0.032797 TDE= -0.264099 Density= 0.142494 ETOT(band)= 0.007197 trlgG= -0.012730 logG= -0.016978 TDE= -0.132352 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009555 tlogG= -0.005065 logG= -0.014620 Density= 0.130595 ETOT(band)= -0.004230 trlgG= -0.021771 logG= -0.014620 TDE= -0.132345 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009584 tlogG= -0.005729 logG= -0.015313 Density= 0.141372 ETOT(band)= 0.005954 trlgG= -0.012624 logG= -0.015313 TDE= -0.132835 logGD-logG0= -0.018899 tlogG= -0.011776 logG= -0.030675 Density= 0.276977 ETOT(band)= 0.007196 trlgG= -0.029576 logG= -0.030675 TDE= -0.264421 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009396 tlogG= -0.006703 logG= -0.016099 Density= 0.140827 ETOT(band)= 0.005970 trlgG= -0.013136 logG= -0.016099 TDE= -0.132039 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003085 tlogG= 0.069348 logG= 0.066263 Density= 0.046229 ETOT(band)= 0.001193 trlgG= 0.066538 logG= 0.066263 TDE= -0.044042 logGD-logG0= -0.003105 tlogG= 0.069747 logG= 0.066642 Density= 0.046296 ETOT(band)= 0.001289 trlgG= 0.067027 logG= 0.066642 TDE= -0.043996 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003074 tlogG= 0.069062 logG= 0.065988 Density= 0.045883 ETOT(band)= 0.000876 trlgG= 0.065925 logG= 0.065988 TDE= -0.044048 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004617 tlogG= 0.103849 logG= 0.099233 Density= 0.069188 ETOT(band)= 0.001641 trlgG= 0.099484 logG= 0.099233 TDE= -0.066075 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009250 tlogG= 0.208064 logG= 0.198814 Density= 0.138659 ETOT(band)= 0.003610 trlgG= 0.199586 logG= 0.198814 TDE= -0.132151 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009287 tlogG= 0.208765 logG= 0.199478 Density= 0.139153 ETOT(band)= 0.004128 trlgG= 0.200798 logG= 0.199478 TDE= -0.132077 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002306 tlogG= 0.051816 logG= 0.049510 Density= 0.034474 ETOT(band)= 0.000706 trlgG= 0.049518 logG= 0.049510 TDE= -0.033040 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 5.52209969539245 eV TrLogG= -13.3285454988863 eV Ratio to renormalize= 0.999999999730 rho-rho_expected= 0.000000004326 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 28) Finished k-point number 29 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 40) Finished k-point number 41 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 60) Finished k-point number 61 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 57) Finished k-point number 58 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 89) Finished k-point number 90 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 93) Finished k-point number 94 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 94) Finished k-point number 95 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 71) Finished k-point number 72 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930546990106775 0.927064069622849 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 18) Finished k-point number 19 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 20) Finished k-point number 21 1 with #bands= 26 79) Finished k-point number 80 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0429180570706 Density= 16.0306691325427 16.0000000000000 EF 12.7708042249571 Density= 15.4218635443384 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95863688 0.93863688 0.306691E-01 -0.578136 1 0.95762936 0.93863688 0.403254E-02 -0.578136 2 0.95747789 0.95762936 -0.216117E-05 0.403254E-02 3 0.95747797 0.95747789 0.217901E-08 -0.216117E-05 4 0.95747797 0.95747797 -0.487326E-09 0.217901E-08 5 0.95747797 0.95747797 0.217901E-08 -0.487326E-09 6 0.95747797 0.95747797 0.217901E-08 -0.487326E-09 Absolute convergence of the X interval. Difference in EF= -0.0157677663 EF set to : 13.0271502908 new EF (no-mixing): 13.0271502908 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001199 tlogG= -0.001248 logG= -0.002447 Density= 0.019003 ETOT(band)= 0.001320 trlgG= -0.001580 logG= -0.002447 TDE= -0.017327 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002389 tlogG= -0.002403 logG= -0.004792 Density= 0.037956 ETOT(band)= 0.002734 trlgG= -0.002966 logG= -0.004792 TDE= -0.034516 logGD-logG0= -0.009564 tlogG= -0.009528 logG= -0.019091 Density= 0.151918 ETOT(band)= 0.010812 trlgG= -0.011901 logG= -0.019091 TDE= -0.138268 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004778 tlogG= -0.004615 logG= -0.009393 Density= 0.075934 ETOT(band)= 0.005486 trlgG= -0.005718 logG= -0.009393 TDE= -0.069030 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002394 tlogG= -0.002079 logG= -0.004472 Density= 0.037519 ETOT(band)= 0.002781 trlgG= -0.002642 logG= -0.004472 TDE= -0.034093 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009617 tlogG= -0.006695 logG= -0.016312 Density= 0.143508 ETOT(band)= 0.005120 trlgG= -0.014707 logG= -0.016312 TDE= -0.135801 logGD-logG0= -0.001564 tlogG= -0.001327 logG= -0.002890 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.022802 ETOT(band)= -0.000062 trlgG= -0.003443 logG= -0.002890 TDE= -0.022385 logGD-logG0= -0.009591 tlogG= -0.008062 logG= -0.017654 Density= 0.150818 ETOT(band)= 0.011228 trlgG= -0.010155 logG= -0.017654 TDE= -0.136906 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004798 tlogG= -0.004193 logG= -0.008991 Density= 0.075609 ETOT(band)= 0.005536 trlgG= -0.005329 logG= -0.008991 TDE= -0.068732 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009595 tlogG= -0.008668 logG= -0.018263 Density= 0.151030 ETOT(band)= 0.011322 trlgG= -0.010692 logG= -0.018263 TDE= -0.137037 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009566 tlogG= -0.007803 logG= -0.017369 Density= 0.150181 ETOT(band)= 0.011642 trlgG= -0.009414 logG= -0.017369 TDE= -0.135840 logGD-logG0= -0.019181 tlogG= -0.015901 logG= -0.035083 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.301783 ETOT(band)= 0.022372 trlgG= -0.020174 logG= -0.035083 TDE= -0.274042 logGD-logG0= -0.009607 tlogG= -0.008801 logG= -0.018407 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.151461 ETOT(band)= 0.011296 trlgG= -0.010822 logG= -0.018407 TDE= -0.137436 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019162 tlogG= -0.014781 logG= -0.033943 Density= 0.299657 ETOT(band)= 0.022321 trlgG= -0.018863 logG= -0.033943 TDE= -0.271835 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009608 tlogG= -0.006641 logG= -0.016249 Density= 0.147362 ETOT(band)= 0.009010 trlgG= -0.010835 logG= -0.016249 TDE= -0.135682 logGD-logG0= -0.004778 tlogG= -0.003568 logG= -0.008346 Density= 0.074848 ETOT(band)= 0.005311 trlgG= -0.004821 logG= -0.008346 TDE= -0.068141 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003103 tlogG= -0.002571 logG= -0.005674 Density= 0.045654 ETOT(band)= 0.000279 trlgG= -0.006343 logG= -0.005674 TDE= -0.044381 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003121 tlogG= -0.002546 logG= -0.005667 Density= 0.045433 ETOT(band)= -0.000119 trlgG= -0.006807 logG= -0.005667 TDE= -0.044641 logGD-logG0= -0.003075 tlogG= -0.002619 logG= -0.005693 Density= 0.045913 ETOT(band)= 0.000774 trlgG= -0.005789 logG= -0.005693 TDE= -0.044057 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009375 tlogG= -0.007516 logG= -0.016891 Density= 0.136892 ETOT(band)= -0.000051 trlgG= -0.020051 logG= -0.016891 TDE= -0.134230 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009352 tlogG= -0.007352 logG= -0.016704 Density= 0.136806 ETOT(band)= 0.000392 trlgG= -0.019400 logG= -0.016704 TDE= -0.133684 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009367 tlogG= -0.007426 logG= -0.016792 Density= 0.136766 ETOT(band)= 0.000007 trlgG= -0.019907 logG= -0.016792 TDE= -0.134065 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009296 tlogG= -0.007414 logG= -0.016710 Density= 0.137439 ETOT(band)= 0.001661 trlgG= -0.017885 logG= -0.016710 TDE= -0.132770 logGD-logG0= -0.009385 tlogG= -0.006711 logG= -0.016096 Density= 0.137983 ETOT(band)= 0.001305 trlgG= -0.018030 logG= -0.016096 TDE= -0.134050 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009332 tlogG= -0.007384 logG= -0.016716 Density= 0.137025 ETOT(band)= 0.000789 trlgG= -0.018928 logG= -0.016716 TDE= -0.133410 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009478 tlogG= -0.006399 logG= -0.015877 logGD-logG0= -0.009638 tlogG= -0.006555 logG= -0.016193 Density= 0.142309 ETOT(band)= 0.004628 trlgG= -0.014965 logG= -0.016193 TDE= -0.135030 Density= 0.140205 ETOT(band)= 0.003791 trlgG= -0.015214 logG= -0.015877 TDE= -0.133580 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009393 tlogG= -0.006674 logG= -0.016067 logGD-logG0= -0.009674 tlogG= -0.007154 logG= -0.016828 Density= 0.147769 ETOT(band)= 0.009781 trlgG= -0.010676 logG= -0.016828 TDE= -0.135334 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137924 ETOT(band)= 0.001325 trlgG= -0.018014 logG= -0.016067 TDE= -0.134006 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009611 tlogG= -0.007566 logG= -0.017177 Density= 0.149172 ETOT(band)= 0.011459 trlgG= -0.009376 logG= -0.017177 TDE= -0.135028 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009381 tlogG= -0.006892 logG= -0.016273 Density= 0.138518 ETOT(band)= 0.002216 trlgG= -0.017075 logG= -0.016273 TDE= -0.133430 logGD-logG0= -0.009357 tlogG= -0.006577 logG= -0.015934 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137755 ETOT(band)= 0.001572 trlgG= -0.017539 logG= -0.015934 TDE= -0.133502 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004737 tlogG= -0.003128 logG= -0.007865 Density= 0.067659 ETOT(band)= -0.000925 trlgG= -0.010399 logG= -0.007865 TDE= -0.067317 logGD-logG0= -0.009439 tlogG= -0.005988 logG= -0.015427 Density= 0.138072 ETOT(band)= 0.001510 trlgG= -0.017152 logG= -0.015427 TDE= -0.133926 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009464 tlogG= -0.005689 logG= -0.015153 Density= 0.133909 ETOT(band)= -0.002466 trlgG= -0.020779 logG= -0.015153 TDE= -0.133841 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009456 tlogG= -0.006187 logG= -0.015643 Density= 0.138619 ETOT(band)= 0.002029 trlgG= -0.016779 logG= -0.015643 TDE= -0.133861 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009327 tlogG= -0.006866 logG= -0.016193 logGD-logG0= -0.009545 tlogG= -0.006605 logG= -0.016149 Density= 0.139044 ETOT(band)= 0.003465 trlgG= -0.015537 logG= -0.016193 TDE= -0.132475 Density= 0.143462 ETOT(band)= 0.007229 trlgG= -0.012148 logG= -0.016149 TDE= -0.133360 logGD-logG0= -0.004752 tlogG= -0.002604 logG= -0.007356 Density= 0.065382 ETOT(band)= -0.002438 trlgG= -0.011240 logG= -0.007356 TDE= -0.066487 logGD-logG0= -0.009420 tlogG= -0.005667 logG= -0.015086 Density= 0.136885 ETOT(band)= 0.000856 trlgG= -0.017453 logG= -0.015086 TDE= -0.133431 logGD-logG0= -0.009376 tlogG= -0.006903 logG= -0.016279 Density= 0.137610 ETOT(band)= 0.000863 trlgG= -0.018665 logG= -0.016279 TDE= -0.134144 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009484 tlogG= -0.006075 logG= -0.015558 Density= 0.135903 ETOT(band)= -0.000926 trlgG= -0.019718 logG= -0.015558 TDE= -0.134284 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019324 tlogG= -0.012857 logG= -0.032181 Density= 0.284668 ETOT(band)= 0.008796 trlgG= -0.030294 logG= -0.032181 TDE= -0.270677 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018744 tlogG= -0.013802 logG= -0.032547 Density= 0.275378 ETOT(band)= 0.002346 trlgG= -0.036565 logG= -0.032547 TDE= -0.267687 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009686 tlogG= -0.006557 logG= -0.016243 Density= 0.142795 ETOT(band)= 0.004569 trlgG= -0.015176 logG= -0.016243 TDE= -0.135656 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018956 tlogG= -0.010957 logG= -0.029913 Density= 0.271344 ETOT(band)= -0.001171 trlgG= -0.037460 logG= -0.029913 TDE= -0.267353 logGD-logG0= -0.018849 tlogG= -0.012051 logG= -0.030901 Density= 0.277991 ETOT(band)= 0.005079 trlgG= -0.032395 logG= -0.030901 TDE= -0.267665 logGD-logG0= -0.018973 tlogG= -0.011558 logG= -0.030531 Density= 0.275234 ETOT(band)= 0.002053 trlgG= -0.034855 logG= -0.030531 TDE= -0.267855 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018784 tlogG= -0.012433 logG= -0.031217 Density= 0.278853 ETOT(band)= 0.007393 trlgG= -0.029860 logG= -0.031217 TDE= -0.265638 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018850 tlogG= -0.012350 logG= -0.031200 Density= 0.278082 ETOT(band)= 0.005464 trlgG= -0.032148 logG= -0.031200 TDE= -0.267205 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019099 tlogG= -0.012146 logG= -0.031245 Density= 0.281183 ETOT(band)= 0.007622 trlgG= -0.030252 logG= -0.031245 TDE= -0.268234 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000384 tlogG= 0.008605 logG= 0.008222 Density= 0.005723 ETOT(band)= 0.000090 trlgG= 0.008196 logG= 0.008222 TDE= -0.005505 logGD-logG0= -0.009494 tlogG= -0.005525 logG= -0.015019 Density= 0.133204 ETOT(band)= -0.003123 trlgG= -0.021239 logG= -0.015019 TDE= -0.133760 logGD-logG0= -0.019389 tlogG= -0.012802 logG= -0.032191 Density= 0.289637 ETOT(band)= 0.015887 trlgG= -0.023075 logG= -0.032191 TDE= -0.268205 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019069 tlogG= -0.010539 logG= -0.029608 Density= 0.277722 ETOT(band)= 0.005253 trlgG= -0.030808 logG= -0.029608 TDE= -0.267113 logGD-logG0= -0.018675 tlogG= -0.013861 logG= -0.032536 logGD-logG0= -0.019057 tlogG= -0.010283 logG= -0.029340 Density= 0.275983 ETOT(band)= 0.004113 trlgG= -0.034380 logG= -0.032536 TDE= -0.266091 Density= 0.263743 ETOT(band)= -0.007667 trlgG= -0.043034 logG= -0.029340 TDE= -0.266222 logGD-logG0= -0.009713 tlogG= -0.006000 logG= -0.015712 Density= 0.143936 ETOT(band)= 0.006845 trlgG= -0.012242 logG= -0.015712 TDE= -0.134345 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018868 tlogG= -0.012202 logG= -0.031069 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278304 ETOT(band)= 0.005093 trlgG= -0.032597 logG= -0.031069 TDE= -0.267997 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018778 tlogG= -0.011726 logG= -0.030503 Density= 0.276585 ETOT(band)= 0.004993 trlgG= -0.031874 logG= -0.030503 TDE= -0.266195 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018990 tlogG= -0.011802 logG= -0.030791 Density= 0.270358 ETOT(band)= -0.003345 trlgG= -0.040611 logG= -0.030791 TDE= -0.268682 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009562 tlogG= -0.004942 logG= -0.014504 Density= 0.130662 ETOT(band)= -0.005016 trlgG= -0.022459 logG= -0.014504 TDE= -0.133061 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019008 tlogG= -0.010616 logG= -0.029624 Density= 0.274078 ETOT(band)= 0.002613 trlgG= -0.033184 logG= -0.029624 TDE= -0.265984 logGD-logG0= -0.009559 tlogG= -0.005238 logG= -0.014797 Density= 0.139830 ETOT(band)= 0.003292 trlgG= -0.014792 logG= -0.014797 TDE= -0.133879 logGD-logG0= -0.019137 tlogG= -0.011237 logG= -0.030373 logGD-logG0= -0.019196 tlogG= -0.012010 logG= -0.031206 Density= 0.279932 ETOT(band)= 0.005106 trlgG= -0.032827 logG= -0.031206 TDE= -0.269650 Density= 0.277823 ETOT(band)= 0.004386 trlgG= -0.032512 logG= -0.030373 TDE= -0.268148 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019043 tlogG= -0.010715 logG= -0.029758 Density= 0.272161 ETOT(band)= -0.000959 trlgG= -0.036941 logG= -0.029758 TDE= -0.267772 logGD-logG0= -0.019095 tlogG= -0.010197 logG= -0.029292 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.266819 ETOT(band)= -0.005472 trlgG= -0.040860 logG= -0.029292 TDE= -0.267041 logGD-logG0= -0.004757 tlogG= -0.002687 logG= -0.007444 logGD-logG0= -0.009500 tlogG= -0.005189 logG= -0.014689 Density= 0.136438 ETOT(band)= 0.000052 trlgG= -0.017621 logG= -0.014689 TDE= -0.133568 Density= 0.068641 ETOT(band)= 0.000324 trlgG= -0.008701 logG= -0.007444 TDE= -0.066978 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009507 tlogG= -0.005550 logG= -0.015057 Density= 0.135911 ETOT(band)= -0.000762 trlgG= -0.018896 logG= -0.015057 TDE= -0.133971 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009518 tlogG= -0.005326 logG= -0.014844 Density= 0.136861 ETOT(band)= 0.000354 trlgG= -0.017552 logG= -0.014844 TDE= -0.133749 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002417 tlogG= -0.001872 logG= -0.004290 Density= 0.036995 ETOT(band)= 0.002764 trlgG= -0.002399 logG= -0.004290 TDE= -0.033532 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002315 tlogG= -0.002357 logG= -0.004672 Density= 0.034898 ETOT(band)= 0.001079 trlgG= -0.004306 logG= -0.004672 TDE= -0.033047 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009305 tlogG= -0.007802 logG= -0.017107 Density= 0.138649 ETOT(band)= 0.003441 trlgG= -0.016322 logG= -0.017107 TDE= -0.131969 logGD-logG0= -0.009255 tlogG= -0.008864 logG= -0.018118 Density= 0.139500 ETOT(band)= 0.004246 trlgG= -0.016597 logG= -0.018118 TDE= -0.132046 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009350 tlogG= -0.007460 logG= -0.016810 Density= 0.137674 ETOT(band)= 0.002213 trlgG= -0.017393 logG= -0.016810 TDE= -0.132403 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009319 tlogG= -0.008473 logG= -0.017792 Density= 0.140900 ETOT(band)= 0.005575 trlgG= -0.015093 logG= -0.017792 TDE= -0.132210 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009287 tlogG= -0.008025 logG= -0.017312 Density= 0.138912 ETOT(band)= 0.003818 trlgG= -0.016205 logG= -0.017312 TDE= -0.131899 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002363 tlogG= -0.001978 logG= -0.004341 Density= 0.035806 ETOT(band)= 0.001892 trlgG= -0.003190 logG= -0.004341 TDE= -0.033133 logGD-logG0= -0.009370 tlogG= -0.007366 logG= -0.016736 Density= 0.140993 ETOT(band)= 0.005734 trlgG= -0.013907 logG= -0.016736 TDE= -0.132169 logGD-logG0= -0.004644 tlogG= -0.004043 logG= -0.008687 logGD-logG0= -0.009601 tlogG= -0.007210 logG= -0.016811 Density= 0.069968 ETOT(band)= 0.002417 trlgG= -0.007659 logG= -0.008687 TDE= -0.065965 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.144901 ETOT(band)= 0.008904 trlgG= -0.011046 logG= -0.016811 TDE= -0.132974 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009360 tlogG= -0.006935 logG= -0.016295 Density= 0.139400 ETOT(band)= 0.004459 trlgG= -0.014630 logG= -0.016295 TDE= -0.131807 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009409 tlogG= -0.006404 logG= -0.015813 Density= 0.137533 ETOT(band)= 0.002269 trlgG= -0.016642 logG= -0.015813 TDE= -0.132514 logGD-logG0= -0.009526 tlogG= -0.005374 logG= -0.014900 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.133750 ETOT(band)= -0.001438 trlgG= -0.019387 logG= -0.014900 TDE= -0.132550 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018619 tlogG= -0.015847 logG= -0.034466 Density= 0.280485 ETOT(band)= 0.010148 trlgG= -0.029895 logG= -0.034466 TDE= -0.263987 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004737 tlogG= -0.002847 logG= -0.007585 Density= 0.068406 ETOT(band)= 0.001031 trlgG= -0.008032 logG= -0.007585 TDE= -0.065945 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009253 tlogG= -0.009091 logG= -0.018345 Density= 0.139692 ETOT(band)= 0.004435 trlgG= -0.016704 logG= -0.018345 TDE= -0.132111 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009551 tlogG= -0.005078 logG= -0.014629 Density= 0.130450 ETOT(band)= -0.004509 trlgG= -0.022045 logG= -0.014629 TDE= -0.132319 logGD-logG0= -0.009413 tlogG= -0.007564 logG= -0.016978 Density= 0.142475 ETOT(band)= 0.007028 trlgG= -0.012884 logG= -0.016978 TDE= -0.132323 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018953 tlogG= -0.013308 logG= -0.032261 Density= 0.284597 ETOT(band)= 0.013599 trlgG= -0.024820 logG= -0.032261 TDE= -0.265054 logGD-logG0= -0.009723 tlogG= -0.006738 logG= -0.016461 Density= 0.145857 ETOT(band)= 0.009434 trlgG= -0.010482 logG= -0.016461 TDE= -0.133676 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018730 tlogG= -0.014074 logG= -0.032804 Density= 0.277672 ETOT(band)= 0.007324 trlgG= -0.030994 logG= -0.032804 TDE= -0.264055 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009582 tlogG= -0.005730 logG= -0.015311 Density= 0.141287 ETOT(band)= 0.005727 trlgG= -0.012832 logG= -0.015311 TDE= -0.132800 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018898 tlogG= -0.011782 logG= -0.030679 Density= 0.276981 ETOT(band)= 0.006900 trlgG= -0.029842 logG= -0.030679 TDE= -0.264366 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009394 tlogG= -0.006707 logG= -0.016102 Density= 0.140818 ETOT(band)= 0.005809 trlgG= -0.013283 logG= -0.016102 TDE= -0.132011 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003105 tlogG= 0.069656 logG= 0.066552 Density= 0.046308 ETOT(band)= 0.001247 trlgG= 0.066901 logG= 0.066552 TDE= -0.043989 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003085 tlogG= 0.069258 logG= 0.066173 Density= 0.046242 ETOT(band)= 0.001152 trlgG= 0.066413 logG= 0.066173 TDE= -0.044035 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003074 tlogG= 0.068972 logG= 0.065898 Density= 0.045900 ETOT(band)= 0.000839 trlgG= 0.065803 logG= 0.065898 TDE= -0.044043 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002306 tlogG= 0.051749 logG= 0.049442 Density= 0.034486 ETOT(band)= 0.000678 trlgG= 0.049426 logG= 0.049442 TDE= -0.033036 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009251 tlogG= 0.207795 logG= 0.198544 Density= 0.138696 ETOT(band)= 0.003487 trlgG= 0.199212 logG= 0.198544 TDE= -0.132131 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004616 tlogG= 0.103714 logG= 0.099098 Density= 0.069209 ETOT(band)= 0.001581 trlgG= 0.099298 logG= 0.099098 TDE= -0.066066 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009288 tlogG= 0.208496 logG= 0.199208 Density= 0.139184 ETOT(band)= 0.004000 trlgG= 0.200418 logG= 0.199208 TDE= -0.132056 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 5.28888184353134 eV TrLogG= -13.5521821906058 eV Ratio to renormalize= 0.999999999594 rho-rho_expected= 0.000000006493 nargs= 1 argi=dmft2.def 10) Finished k-point number 11 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 43) Finished k-point number 44 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 23) Finished k-point number 24 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 88) Finished k-point number 89 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930567779663401 0.927066905416928 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 43) Finished k-point number 44 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 44) Finished k-point number 45 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 34) Finished k-point number 35 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 32) Finished k-point number 33 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 81) Finished k-point number 82 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 90) Finished k-point number 91 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0271502907911 Density= 16.0032132762769 16.0000000000000 EF 12.7550364586775 Density= 15.3862627763492 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95747797 0.93747797 0.321328E-02 -0.613737 1 0.95737381 0.93747797 0.440111E-03 -0.613737 2 0.95735729 0.95737381 -0.377055E-07 0.440111E-03 3 0.95735729 0.95735729 0.414957E-11 -0.377055E-07 Absolute convergence of |F(X)|. Difference in EF= -0.0016419990 EF set to : 13.0255082918 new EF (no-mixing): 13.0255082918 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001199 tlogG= -0.001248 logG= -0.002447 Density= 0.019004 ETOT(band)= 0.001319 trlgG= -0.001580 logG= -0.002447 TDE= -0.017327 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002389 tlogG= -0.002402 logG= -0.004792 Density= 0.037958 ETOT(band)= 0.002733 trlgG= -0.002967 logG= -0.004792 TDE= -0.034515 logGD-logG0= -0.009563 tlogG= -0.009527 logG= -0.019091 Density= 0.151929 ETOT(band)= 0.010806 trlgG= -0.011904 logG= -0.019091 TDE= -0.138263 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004778 tlogG= -0.004615 logG= -0.009393 Density= 0.075939 ETOT(band)= 0.005483 trlgG= -0.005720 logG= -0.009393 TDE= -0.069028 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002394 tlogG= -0.002078 logG= -0.004472 Density= 0.037523 ETOT(band)= 0.002781 trlgG= -0.002642 logG= -0.004472 TDE= -0.034092 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009595 tlogG= -0.008667 logG= -0.018262 Density= 0.151042 ETOT(band)= 0.011318 trlgG= -0.010693 logG= -0.018262 TDE= -0.137032 logGD-logG0= -0.001564 tlogG= -0.001326 logG= -0.002890 Density= 0.022803 ETOT(band)= -0.000063 trlgG= -0.003444 logG= -0.002890 TDE= -0.022385 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009617 tlogG= -0.006694 logG= -0.016311 Density= 0.143493 ETOT(band)= 0.005090 trlgG= -0.014734 logG= -0.016311 TDE= -0.135797 logGD-logG0= -0.009591 tlogG= -0.008060 logG= -0.017651 logGD-logG0= -0.004798 tlogG= -0.004193 logG= -0.008991 Density= 0.075616 ETOT(band)= 0.005535 trlgG= -0.005330 logG= -0.008991 TDE= -0.068730 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.150827 ETOT(band)= 0.011221 trlgG= -0.010158 logG= -0.017651 TDE= -0.136901 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009606 tlogG= -0.008800 logG= -0.018406 logGD-logG0= -0.009566 tlogG= -0.007802 logG= -0.017368 Density= 0.151472 ETOT(band)= 0.011291 trlgG= -0.010824 logG= -0.018406 TDE= -0.137431 Density= 0.150193 ETOT(band)= 0.011638 trlgG= -0.009416 logG= -0.017368 TDE= -0.135836 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019161 tlogG= -0.014781 logG= -0.033942 Density= 0.299679 ETOT(band)= 0.022311 trlgG= -0.018868 logG= -0.033942 TDE= -0.271826 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019180 tlogG= -0.015898 logG= -0.035079 Density= 0.301806 ETOT(band)= 0.022363 trlgG= -0.020175 logG= -0.035079 TDE= -0.274032 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009607 tlogG= -0.006640 logG= -0.016248 Density= 0.147367 ETOT(band)= 0.008999 trlgG= -0.010843 logG= -0.016248 TDE= -0.135678 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004778 tlogG= -0.003568 logG= -0.008346 Density= 0.074852 ETOT(band)= 0.005307 trlgG= -0.004824 logG= -0.008346 TDE= -0.068138 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003121 tlogG= -0.002547 logG= -0.005667 Density= 0.045435 ETOT(band)= -0.000122 trlgG= -0.006810 logG= -0.005667 TDE= -0.044641 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003075 tlogG= -0.002620 logG= -0.005695 Density= 0.045915 ETOT(band)= 0.000770 trlgG= -0.005794 logG= -0.005695 TDE= -0.044056 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003103 tlogG= -0.002572 logG= -0.005675 Density= 0.045657 ETOT(band)= 0.000275 trlgG= -0.006346 logG= -0.005675 TDE= -0.044381 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009367 tlogG= -0.007427 logG= -0.016794 Density= 0.136773 ETOT(band)= -0.000003 trlgG= -0.019917 logG= -0.016794 TDE= -0.134063 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009374 tlogG= -0.007514 logG= -0.016888 Density= 0.136898 ETOT(band)= -0.000063 trlgG= -0.020056 logG= -0.016888 TDE= -0.134228 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009296 tlogG= -0.007415 logG= -0.016712 Density= 0.137444 ETOT(band)= 0.001650 trlgG= -0.017897 logG= -0.016712 TDE= -0.132768 logGD-logG0= -0.009352 tlogG= -0.007354 logG= -0.016706 Density= 0.136811 ETOT(band)= 0.000382 trlgG= -0.019411 logG= -0.016706 TDE= -0.133682 logGD-logG0= -0.009383 tlogG= -0.006708 logG= -0.016092 Density= 0.137986 ETOT(band)= 0.001290 trlgG= -0.018037 logG= -0.016092 TDE= -0.134047 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009673 tlogG= -0.007154 logG= -0.016828 Density= 0.147775 ETOT(band)= 0.009771 trlgG= -0.010683 logG= -0.016828 TDE= -0.135330 logGD-logG0= -0.009610 tlogG= -0.007566 logG= -0.017176 Density= 0.149182 ETOT(band)= 0.011453 trlgG= -0.009380 logG= -0.017176 TDE= -0.135024 logGD-logG0= -0.009381 tlogG= -0.006893 logG= -0.016274 Density= 0.138521 ETOT(band)= 0.002202 trlgG= -0.017087 logG= -0.016274 TDE= -0.133427 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009638 tlogG= -0.006554 logG= -0.016192 Density= 0.142299 ETOT(band)= 0.004603 trlgG= -0.014987 logG= -0.016192 TDE= -0.135026 logGD-logG0= -0.009478 tlogG= -0.006400 logG= -0.015878 Density= 0.140202 ETOT(band)= 0.003773 trlgG= -0.015231 logG= -0.015878 TDE= -0.133577 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009357 tlogG= -0.006574 logG= -0.015931 Density= 0.137760 ETOT(band)= 0.001560 trlgG= -0.017546 logG= -0.015931 TDE= -0.133500 logGD-logG0= -0.009438 tlogG= -0.005989 logG= -0.015427 Density= 0.138071 ETOT(band)= 0.001494 trlgG= -0.017166 logG= -0.015427 TDE= -0.133923 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009393 tlogG= -0.006674 logG= -0.016066 Density= 0.137928 ETOT(band)= 0.001313 trlgG= -0.018023 logG= -0.016066 TDE= -0.134003 logGD-logG0= -0.009331 tlogG= -0.007384 logG= -0.016715 Density= 0.137030 ETOT(band)= 0.000777 trlgG= -0.018937 logG= -0.016715 TDE= -0.133408 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004752 tlogG= -0.002600 logG= -0.007352 Density= 0.065362 ETOT(band)= -0.002467 trlgG= -0.011263 logG= -0.007352 TDE= -0.066485 logGD-logG0= -0.009328 tlogG= -0.006864 logG= -0.016191 Density= 0.139047 ETOT(band)= 0.003452 trlgG= -0.015547 logG= -0.016191 TDE= -0.132473 logGD-logG0= -0.009465 tlogG= -0.005693 logG= -0.015158 logGD-logG0= -0.004737 tlogG= -0.003130 logG= -0.007866 Density= 0.067663 ETOT(band)= -0.000929 trlgG= -0.010404 logG= -0.007866 TDE= -0.067315 Density= 0.133919 ETOT(band)= -0.002471 trlgG= -0.020788 logG= -0.015158 TDE= -0.133839 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009376 tlogG= -0.006905 logG= -0.016282 Density= 0.137614 ETOT(band)= 0.000851 trlgG= -0.018677 logG= -0.016282 TDE= -0.134141 logGD-logG0= -0.009544 tlogG= -0.006605 logG= -0.016149 Density= 0.143457 ETOT(band)= 0.007209 trlgG= -0.012167 logG= -0.016149 TDE= -0.133357 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009483 tlogG= -0.006077 logG= -0.015560 Density= 0.135908 ETOT(band)= -0.000937 trlgG= -0.019730 logG= -0.015560 TDE= -0.134282 logGD-logG0= -0.009420 tlogG= -0.005668 logG= -0.015088 Density= 0.136885 ETOT(band)= 0.000840 trlgG= -0.017468 logG= -0.015088 TDE= -0.133428 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009455 tlogG= -0.006186 logG= -0.015641 Density= 0.138619 ETOT(band)= 0.002012 trlgG= -0.016792 logG= -0.015641 TDE= -0.133858 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018743 tlogG= -0.013813 logG= -0.032556 Density= 0.275384 ETOT(band)= 0.002318 trlgG= -0.036598 logG= -0.032556 TDE= -0.267682 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019322 tlogG= -0.012859 logG= -0.032181 Density= 0.284649 ETOT(band)= 0.008747 trlgG= -0.030340 logG= -0.032181 TDE= -0.270669 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009685 tlogG= -0.006557 logG= -0.016243 Density= 0.142782 ETOT(band)= 0.004542 trlgG= -0.015202 logG= -0.016243 TDE= -0.135652 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018952 tlogG= -0.010952 logG= -0.029903 Density= 0.271329 ETOT(band)= -0.001221 trlgG= -0.037492 logG= -0.029903 TDE= -0.267347 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019058 tlogG= -0.010288 logG= -0.029346 Density= 0.263734 ETOT(band)= -0.007705 trlgG= -0.043075 logG= -0.029346 TDE= -0.266217 logGD-logG0= -0.018867 tlogG= -0.012209 logG= -0.031076 Density= 0.278300 ETOT(band)= 0.005058 trlgG= -0.032634 logG= -0.031076 TDE= -0.267991 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018849 tlogG= -0.012057 logG= -0.030905 Density= 0.277989 ETOT(band)= 0.005045 trlgG= -0.032429 logG= -0.030905 TDE= -0.267659 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019098 tlogG= -0.012148 logG= -0.031246 Density= 0.281172 ETOT(band)= 0.007581 trlgG= -0.030290 logG= -0.031246 TDE= -0.268227 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018851 tlogG= -0.012356 logG= -0.031207 Density= 0.278082 ETOT(band)= 0.005434 trlgG= -0.032182 logG= -0.031207 TDE= -0.267199 logGD-logG0= -0.019068 tlogG= -0.010543 logG= -0.029611 Density= 0.277713 ETOT(band)= 0.005214 trlgG= -0.030848 logG= -0.029611 TDE= -0.267107 logGD-logG0= -0.019010 tlogG= -0.010618 logG= -0.029627 Density= 0.274038 ETOT(band)= 0.002545 trlgG= -0.033253 logG= -0.029627 TDE= -0.265977 logGD-logG0= -0.018676 tlogG= -0.013853 logG= -0.032530 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018783 tlogG= -0.012435 logG= -0.031218 Density= 0.278855 ETOT(band)= 0.007363 trlgG= -0.029886 logG= -0.031218 TDE= -0.265632 logGD-logG0= -0.000384 tlogG= 0.008604 logG= 0.008221 Density= 0.005723 ETOT(band)= 0.000089 trlgG= 0.008195 logG= 0.008221 TDE= -0.005505 Density= 0.275995 ETOT(band)= 0.004095 trlgG= -0.034390 logG= -0.032530 TDE= -0.266087 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019390 tlogG= -0.012801 logG= -0.032191 logGD-logG0= -0.018972 tlogG= -0.011559 logG= -0.030532 Density= 0.289640 ETOT(band)= 0.015861 trlgG= -0.023099 logG= -0.032191 TDE= -0.268198 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.275229 ETOT(band)= 0.002018 trlgG= -0.034887 logG= -0.030532 TDE= -0.267848 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009491 tlogG= -0.005521 logG= -0.015012 Density= 0.133196 ETOT(band)= -0.003150 trlgG= -0.021254 logG= -0.015012 TDE= -0.133757 logGD-logG0= -0.018989 tlogG= -0.011803 logG= -0.030792 Density= 0.270368 ETOT(band)= -0.003367 trlgG= -0.040630 logG= -0.030792 TDE= -0.268677 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018776 tlogG= -0.011732 logG= -0.030508 Density= 0.276586 ETOT(band)= 0.004962 trlgG= -0.031905 logG= -0.030508 TDE= -0.266189 logGD-logG0= -0.019195 tlogG= -0.012013 logG= -0.031208 Density= 0.279920 ETOT(band)= 0.005064 trlgG= -0.032867 logG= -0.031208 TDE= -0.269643 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009561 tlogG= -0.004942 logG= -0.014503 Density= 0.130646 ETOT(band)= -0.005047 trlgG= -0.022487 logG= -0.014503 TDE= -0.133059 logGD-logG0= -0.019040 tlogG= -0.010715 logG= -0.029755 Density= 0.272159 ETOT(band)= -0.000995 trlgG= -0.036967 logG= -0.029755 TDE= -0.267766 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019096 tlogG= -0.010203 logG= -0.029299 Density= 0.266811 ETOT(band)= -0.005509 trlgG= -0.040901 logG= -0.029299 TDE= -0.267036 logGD-logG0= -0.009558 tlogG= -0.005238 logG= -0.014796 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.139819 ETOT(band)= 0.003266 trlgG= -0.014816 logG= -0.014796 TDE= -0.133876 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019136 tlogG= -0.011239 logG= -0.030375 Density= 0.277809 ETOT(band)= 0.004342 trlgG= -0.032554 logG= -0.030375 TDE= -0.268142 logGD-logG0= -0.009712 tlogG= -0.005999 logG= -0.015712 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.143931 ETOT(band)= 0.006825 trlgG= -0.012260 logG= -0.015712 TDE= -0.134341 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009501 tlogG= -0.005192 logG= -0.014693 Density= 0.136436 ETOT(band)= 0.000036 trlgG= -0.017641 logG= -0.014693 TDE= -0.133566 logGD-logG0= -0.004757 tlogG= -0.002688 logG= -0.007445 Density= 0.068641 ETOT(band)= 0.000317 trlgG= -0.008708 logG= -0.007445 TDE= -0.066977 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009518 tlogG= -0.005326 logG= -0.014844 Density= 0.136858 ETOT(band)= 0.000336 trlgG= -0.017568 logG= -0.014844 TDE= -0.133746 logGD-logG0= -0.009508 tlogG= -0.005552 logG= -0.015060 Density= 0.135912 ETOT(band)= -0.000775 trlgG= -0.018912 logG= -0.015060 TDE= -0.133969 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009255 tlogG= -0.008864 logG= -0.018118 Density= 0.139502 ETOT(band)= 0.004232 trlgG= -0.016609 logG= -0.018118 TDE= -0.132044 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002315 tlogG= -0.002357 logG= -0.004672 Density= 0.034899 ETOT(band)= 0.001075 trlgG= -0.004309 logG= -0.004672 TDE= -0.033047 logGD-logG0= -0.002417 tlogG= -0.001872 logG= -0.004289 Density= 0.036997 ETOT(band)= 0.002761 trlgG= -0.002401 logG= -0.004289 TDE= -0.033531 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009351 tlogG= -0.007461 logG= -0.016812 Density= 0.137679 ETOT(band)= 0.002202 trlgG= -0.017405 logG= -0.016812 TDE= -0.132402 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009305 tlogG= -0.007803 logG= -0.017108 Density= 0.138653 ETOT(band)= 0.003428 trlgG= -0.016335 logG= -0.017108 TDE= -0.131967 logGD-logG0= -0.009318 tlogG= -0.008474 logG= -0.017792 Density= 0.140900 ETOT(band)= 0.005558 trlgG= -0.015108 logG= -0.017792 TDE= -0.132207 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002363 tlogG= -0.001978 logG= -0.004341 Density= 0.035806 ETOT(band)= 0.001888 trlgG= -0.003194 logG= -0.004341 TDE= -0.033133 logGD-logG0= -0.009601 tlogG= -0.007210 logG= -0.016811 Density= 0.144898 ETOT(band)= 0.008886 trlgG= -0.011062 logG= -0.016811 TDE= -0.132970 logGD-logG0= -0.009286 tlogG= -0.008027 logG= -0.017313 Density= 0.138916 ETOT(band)= 0.003804 trlgG= -0.016217 logG= -0.017313 TDE= -0.131897 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004645 tlogG= -0.004043 logG= -0.008687 Density= 0.069969 ETOT(band)= 0.002410 trlgG= -0.007665 logG= -0.008687 TDE= -0.065963 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009370 tlogG= -0.007367 logG= -0.016736 Density= 0.140991 ETOT(band)= 0.005717 trlgG= -0.013923 logG= -0.016736 TDE= -0.132166 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009409 tlogG= -0.006407 logG= -0.015816 Density= 0.137537 ETOT(band)= 0.002256 trlgG= -0.016656 logG= -0.015816 TDE= -0.132512 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009525 tlogG= -0.005375 logG= -0.014900 Density= 0.133744 ETOT(band)= -0.001459 trlgG= -0.019407 logG= -0.014900 TDE= -0.132547 logGD-logG0= -0.009361 tlogG= -0.006934 logG= -0.016295 Density= 0.139403 ETOT(band)= 0.004446 trlgG= -0.014641 logG= -0.016295 TDE= -0.131805 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018953 tlogG= -0.013309 logG= -0.032263 Density= 0.284589 ETOT(band)= 0.013561 trlgG= -0.024857 logG= -0.032263 TDE= -0.265048 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004737 tlogG= -0.002845 logG= -0.007582 Density= 0.068399 ETOT(band)= 0.001016 trlgG= -0.008044 logG= -0.007582 TDE= -0.065944 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018619 tlogG= -0.015848 logG= -0.034467 Density= 0.280486 ETOT(band)= 0.010117 trlgG= -0.029923 logG= -0.034467 TDE= -0.263982 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009253 tlogG= -0.009092 logG= -0.018345 Density= 0.139694 ETOT(band)= 0.004421 trlgG= -0.016717 logG= -0.018345 TDE= -0.132109 logGD-logG0= -0.009722 tlogG= -0.006737 logG= -0.016460 Density= 0.145858 ETOT(band)= 0.009419 trlgG= -0.010494 logG= -0.016460 TDE= -0.133672 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009413 tlogG= -0.007564 logG= -0.016977 Density= 0.142473 ETOT(band)= 0.007010 trlgG= -0.012900 logG= -0.016977 TDE= -0.132320 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009550 tlogG= -0.005078 logG= -0.014628 Density= 0.130430 ETOT(band)= -0.004544 trlgG= -0.022076 logG= -0.014628 TDE= -0.132317 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018729 tlogG= -0.014071 logG= -0.032800 Density= 0.277679 ETOT(band)= 0.007298 trlgG= -0.031012 logG= -0.032800 TDE= -0.264050 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009581 tlogG= -0.005730 logG= -0.015311 Density= 0.141278 ETOT(band)= 0.005704 trlgG= -0.012854 logG= -0.015311 TDE= -0.132796 logGD-logG0= -0.018900 tlogG= -0.011788 logG= -0.030688 Density= 0.276995 ETOT(band)= 0.006886 trlgG= -0.029865 logG= -0.030688 TDE= -0.264360 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009395 tlogG= -0.006709 logG= -0.016105 Density= 0.140817 ETOT(band)= 0.005794 trlgG= -0.013300 logG= -0.016105 TDE= -0.132008 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003105 tlogG= 0.069647 logG= 0.066542 Density= 0.046309 ETOT(band)= 0.001243 trlgG= 0.066888 logG= 0.066542 TDE= -0.043988 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003085 tlogG= 0.069249 logG= 0.066164 Density= 0.046244 ETOT(band)= 0.001148 trlgG= 0.066400 logG= 0.066164 TDE= -0.044035 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009251 tlogG= 0.207767 logG= 0.198516 Density= 0.138701 ETOT(band)= 0.003475 trlgG= 0.199173 logG= 0.198516 TDE= -0.132129 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002306 tlogG= 0.051742 logG= 0.049435 Density= 0.034487 ETOT(band)= 0.000675 trlgG= 0.049417 logG= 0.049435 TDE= -0.033036 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009287 tlogG= 0.208468 logG= 0.199181 Density= 0.139187 ETOT(band)= 0.003986 trlgG= 0.200379 logG= 0.199181 TDE= -0.132054 logGD-logG0= -0.004617 tlogG= 0.103700 logG= 0.099083 Density= 0.069211 ETOT(band)= 0.001575 trlgG= 0.099278 logG= 0.099083 TDE= -0.066065 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003074 tlogG= 0.068963 logG= 0.065889 Density= 0.045902 ETOT(band)= 0.000835 trlgG= 0.065791 logG= 0.065889 TDE= -0.044042 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 5.26442324515581 eV TrLogG= -13.5756134368537 eV Ratio to renormalize= 0.999999999730 rho-rho_expected= 0.000000004316 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 31) Finished k-point number 32 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 41) Finished k-point number 42 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 84) Finished k-point number 85 1 with #bands= 20 92) Finished k-point number 93 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 91) Finished k-point number 92 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 98) Finished k-point number 99 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930575938508211 0.927055249116156 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 35) Finished k-point number 36 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 33) Finished k-point number 34 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 32) Finished k-point number 33 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 40) Finished k-point number 41 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0255082917899 Density= 15.9983803800574 16.0000000000000 EF 13.2976221239034 Density= 16.4913841917099 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97735729 0.95735729 0.491384 -0.161962E-02 1 0.96735729 0.95735731 0.252445 -0.161962E-02 2 0.96235730 0.95735706 0.127966 -0.161962E-02 3 0.95985718 0.95735718 0.640337E-01 -0.161962E-02 4 0.95860718 0.95735712 0.314544E-01 -0.161962E-02 5 0.95798215 0.95735739 0.149814E-01 -0.161962E-02 6 0.95766977 0.95735702 0.669924E-02 -0.161962E-02 7 0.95751339 0.95735696 0.254052E-02 -0.161962E-02 8 0.95743518 0.95735699 0.457233E-03 -0.161962E-02 9 0.95741799 0.95743518 -0.100451E-05 0.457233E-03 10 0.95741802 0.95741799 0.115133E-09 -0.100451E-05 11 0.95741802 0.95741802 -0.255042E-08 0.115133E-09 12 0.95741802 0.95741802 -0.255042E-08 0.115133E-09 Absolute convergence of the X interval. Difference in EF= 0.0008263568 EF set to : 13.0263346486 new EF (no-mixing): 13.0263346486 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001199 tlogG= -0.001248 logG= -0.002447 Density= 0.019003 ETOT(band)= 0.001319 trlgG= -0.001580 logG= -0.002447 TDE= -0.017327 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009564 tlogG= -0.009527 logG= -0.019091 Density= 0.151924 ETOT(band)= 0.010809 trlgG= -0.011902 logG= -0.019091 TDE= -0.138266 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002389 tlogG= -0.002402 logG= -0.004792 Density= 0.037957 ETOT(band)= 0.002734 trlgG= -0.002966 logG= -0.004792 TDE= -0.034515 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004778 tlogG= -0.004615 logG= -0.009393 Density= 0.075936 ETOT(band)= 0.005485 trlgG= -0.005719 logG= -0.009393 TDE= -0.069029 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002394 tlogG= -0.002078 logG= -0.004472 Density= 0.037521 ETOT(band)= 0.002781 trlgG= -0.002642 logG= -0.004472 TDE= -0.034093 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001564 tlogG= -0.001327 logG= -0.002890 Density= 0.022802 ETOT(band)= -0.000063 trlgG= -0.003444 logG= -0.002890 TDE= -0.022385 logGD-logG0= -0.004798 tlogG= -0.004193 logG= -0.008991 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009617 tlogG= -0.006695 logG= -0.016312 Density= 0.075613 ETOT(band)= 0.005536 trlgG= -0.005329 logG= -0.008991 TDE= -0.068731 Density= 0.143491 ETOT(band)= 0.005097 trlgG= -0.014729 logG= -0.016312 TDE= -0.135798 logGD-logG0= -0.009591 tlogG= -0.008061 logG= -0.017652 Density= 0.150823 ETOT(band)= 0.011226 trlgG= -0.010155 logG= -0.017652 TDE= -0.136903 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009595 tlogG= -0.008667 logG= -0.018262 Density= 0.151037 ETOT(band)= 0.011321 trlgG= -0.010691 logG= -0.018262 TDE= -0.137034 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009606 tlogG= -0.008800 logG= -0.018406 Density= 0.151466 ETOT(band)= 0.011294 trlgG= -0.010823 logG= -0.018406 TDE= -0.137433 logGD-logG0= -0.019181 tlogG= -0.015899 logG= -0.035079 Density= 0.301794 ETOT(band)= 0.022369 trlgG= -0.020173 logG= -0.035079 TDE= -0.274036 logGD-logG0= -0.009566 tlogG= -0.007802 logG= -0.017368 Density= 0.150187 ETOT(band)= 0.011640 trlgG= -0.009415 logG= -0.017368 TDE= -0.135838 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019161 tlogG= -0.014780 logG= -0.033941 Density= 0.299666 ETOT(band)= 0.022315 trlgG= -0.018865 logG= -0.033941 TDE= -0.271830 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009608 tlogG= -0.006640 logG= -0.016248 Density= 0.147363 ETOT(band)= 0.009004 trlgG= -0.010839 logG= -0.016248 TDE= -0.135680 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004778 tlogG= -0.003568 logG= -0.008346 Density= 0.074850 ETOT(band)= 0.005308 trlgG= -0.004823 logG= -0.008346 TDE= -0.068139 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003120 tlogG= -0.002546 logG= -0.005666 Density= 0.045434 ETOT(band)= -0.000121 trlgG= -0.006808 logG= -0.005666 TDE= -0.044641 logGD-logG0= -0.003075 tlogG= -0.002620 logG= -0.005695 Density= 0.045914 ETOT(band)= 0.000772 trlgG= -0.005792 logG= -0.005695 TDE= -0.044056 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003103 tlogG= -0.002571 logG= -0.005674 Density= 0.045655 ETOT(band)= 0.000277 trlgG= -0.006344 logG= -0.005674 TDE= -0.044381 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009367 tlogG= -0.007428 logG= -0.016795 Density= 0.136770 ETOT(band)= 0.000003 trlgG= -0.019912 logG= -0.016795 TDE= -0.134064 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009352 tlogG= -0.007352 logG= -0.016704 Density= 0.136808 ETOT(band)= 0.000388 trlgG= -0.019405 logG= -0.016704 TDE= -0.133683 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009375 tlogG= -0.007515 logG= -0.016890 Density= 0.136895 ETOT(band)= -0.000056 trlgG= -0.020053 logG= -0.016890 TDE= -0.134229 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009296 tlogG= -0.007414 logG= -0.016710 Density= 0.137441 ETOT(band)= 0.001656 trlgG= -0.017890 logG= -0.016710 TDE= -0.132768 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009479 tlogG= -0.006400 logG= -0.015879 Density= 0.140203 ETOT(band)= 0.003782 trlgG= -0.015225 logG= -0.015879 TDE= -0.133578 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009331 tlogG= -0.007383 logG= -0.016715 Density= 0.137028 ETOT(band)= 0.000783 trlgG= -0.018931 logG= -0.016715 TDE= -0.133409 logGD-logG0= -0.004737 tlogG= -0.003129 logG= -0.007865 Density= 0.067661 ETOT(band)= -0.000928 trlgG= -0.010402 logG= -0.007865 TDE= -0.067316 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009381 tlogG= -0.006892 logG= -0.016272 Density= 0.138520 ETOT(band)= 0.002210 trlgG= -0.017079 logG= -0.016272 TDE= -0.133428 logGD-logG0= -0.009464 tlogG= -0.005689 logG= -0.015153 logGD-logG0= -0.009393 tlogG= -0.006674 logG= -0.016067 Density= 0.133911 ETOT(band)= -0.002472 trlgG= -0.020783 logG= -0.015153 TDE= -0.133839 logGD-logG0= -0.009356 tlogG= -0.006576 logG= -0.015932 Density= 0.137926 ETOT(band)= 0.001320 trlgG= -0.018018 logG= -0.016067 TDE= -0.134004 Density= 0.137757 ETOT(band)= 0.001565 trlgG= -0.017542 logG= -0.015932 TDE= -0.133501 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009456 tlogG= -0.006187 logG= -0.015643 Density= 0.138617 ETOT(band)= 0.002020 trlgG= -0.016787 logG= -0.015643 TDE= -0.133859 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009376 tlogG= -0.006910 logG= -0.016286 logGD-logG0= -0.009419 tlogG= -0.005665 logG= -0.015084 Density= 0.137613 ETOT(band)= 0.000859 trlgG= -0.018675 logG= -0.016286 TDE= -0.134142 Density= 0.136884 ETOT(band)= 0.000848 trlgG= -0.017458 logG= -0.015084 TDE= -0.133429 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009483 tlogG= -0.006076 logG= -0.015559 Density= 0.135905 ETOT(band)= -0.000932 trlgG= -0.019723 logG= -0.015559 TDE= -0.134283 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009545 tlogG= -0.006606 logG= -0.016151 Density= 0.143464 ETOT(band)= 0.007224 trlgG= -0.012155 logG= -0.016151 TDE= -0.133358 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009638 tlogG= -0.006555 logG= -0.016193 Density= 0.142302 ETOT(band)= 0.004614 trlgG= -0.014978 logG= -0.016193 TDE= -0.135028 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009611 tlogG= -0.007566 logG= -0.017177 Density= 0.149177 ETOT(band)= 0.011456 trlgG= -0.009378 logG= -0.017177 TDE= -0.135026 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019323 tlogG= -0.012858 logG= -0.032181 Density= 0.284663 ETOT(band)= 0.008776 trlgG= -0.030312 logG= -0.032181 TDE= -0.270673 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018743 tlogG= -0.013810 logG= -0.032552 logGD-logG0= -0.019099 tlogG= -0.012148 logG= -0.031247 Density= 0.275378 ETOT(band)= 0.002328 trlgG= -0.036585 logG= -0.032552 TDE= -0.267684 Density= 0.281178 ETOT(band)= 0.007604 trlgG= -0.030271 logG= -0.031247 TDE= -0.268230 logGD-logG0= -0.009686 tlogG= -0.006557 logG= -0.016243 Density= 0.142787 ETOT(band)= 0.004555 trlgG= -0.015190 logG= -0.016243 TDE= -0.135654 logGD-logG0= -0.018849 tlogG= -0.012061 logG= -0.030910 Density= 0.277992 ETOT(band)= 0.005065 trlgG= -0.032416 logG= -0.030910 TDE= -0.267661 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018955 tlogG= -0.010957 logG= -0.029912 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018867 tlogG= -0.012203 logG= -0.031071 Density= 0.278305 ETOT(band)= 0.005079 trlgG= -0.032610 logG= -0.031071 TDE= -0.267993 Density= 0.271345 ETOT(band)= -0.001185 trlgG= -0.037471 logG= -0.029912 TDE= -0.267349 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018972 tlogG= -0.011558 logG= -0.030530 Density= 0.275234 ETOT(band)= 0.002037 trlgG= -0.034868 logG= -0.030530 TDE= -0.267851 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018850 tlogG= -0.012353 logG= -0.031203 Density= 0.278083 ETOT(band)= 0.005450 trlgG= -0.032163 logG= -0.031203 TDE= -0.267202 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019390 tlogG= -0.012800 logG= -0.032189 Density= 0.289634 ETOT(band)= 0.015870 trlgG= -0.023089 logG= -0.032189 TDE= -0.268201 logGD-logG0= -0.019057 tlogG= -0.010284 logG= -0.029342 logGD-logG0= -0.018784 tlogG= -0.012434 logG= -0.031218 Density= 0.278853 ETOT(band)= 0.007378 trlgG= -0.029873 logG= -0.031218 TDE= -0.265634 Density= 0.263750 ETOT(band)= -0.007674 trlgG= -0.043042 logG= -0.029342 TDE= -0.266219 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000384 tlogG= 0.008605 logG= 0.008221 Density= 0.005723 ETOT(band)= 0.000090 trlgG= 0.008196 logG= 0.008221 TDE= -0.005505 logGD-logG0= -0.009561 tlogG= -0.004940 logG= -0.014500 Density= 0.130649 ETOT(band)= -0.005037 trlgG= -0.022474 logG= -0.014500 TDE= -0.133060 logGD-logG0= -0.019068 tlogG= -0.010540 logG= -0.029608 Density= 0.277717 ETOT(band)= 0.005234 trlgG= -0.030826 logG= -0.029608 TDE= -0.267109 logGD-logG0= -0.018990 tlogG= -0.011803 logG= -0.030793 Density= 0.270359 ETOT(band)= -0.003360 trlgG= -0.040626 logG= -0.030793 TDE= -0.268679 logGD-logG0= -0.018675 tlogG= -0.013859 logG= -0.032535 Density= 0.275988 ETOT(band)= 0.004104 trlgG= -0.034387 logG= -0.032535 TDE= -0.266088 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009492 tlogG= -0.005521 logG= -0.015013 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.133190 ETOT(band)= -0.003146 trlgG= -0.021252 logG= -0.015013 TDE= -0.133758 logGD-logG0= -0.009328 tlogG= -0.006864 logG= -0.016191 Density= 0.139045 ETOT(band)= 0.003459 trlgG= -0.015541 logG= -0.016191 TDE= -0.132474 logGD-logG0= -0.018777 tlogG= -0.011728 logG= -0.030505 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.276585 ETOT(band)= 0.004977 trlgG= -0.031889 logG= -0.030505 TDE= -0.266192 logGD-logG0= -0.009384 tlogG= -0.006706 logG= -0.016090 Density= 0.137986 ETOT(band)= 0.001299 trlgG= -0.018028 logG= -0.016090 TDE= -0.134048 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019196 tlogG= -0.012011 logG= -0.031207 Density= 0.279924 ETOT(band)= 0.005084 trlgG= -0.032848 logG= -0.031207 TDE= -0.269646 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009713 tlogG= -0.005999 logG= -0.015712 logGD-logG0= -0.009559 tlogG= -0.005238 logG= -0.014796 Density= 0.139824 ETOT(band)= 0.003279 trlgG= -0.014804 logG= -0.014796 TDE= -0.133877 Density= 0.143932 ETOT(band)= 0.006834 trlgG= -0.012251 logG= -0.015712 TDE= -0.134343 logGD-logG0= -0.019009 tlogG= -0.010621 logG= -0.029630 Density= 0.274089 ETOT(band)= 0.002613 trlgG= -0.033193 logG= -0.029630 TDE= -0.265980 logGD-logG0= -0.019096 tlogG= -0.010198 logG= -0.029294 Density= 0.266802 ETOT(band)= -0.005503 trlgG= -0.040891 logG= -0.029294 TDE= -0.267038 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019137 tlogG= -0.011240 logG= -0.030377 Density= 0.277817 ETOT(band)= 0.004365 trlgG= -0.032535 logG= -0.030377 TDE= -0.268144 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009500 tlogG= -0.005191 logG= -0.014692 logGD-logG0= -0.004757 tlogG= -0.002687 logG= -0.007444 Density= 0.068641 ETOT(band)= 0.000321 trlgG= -0.008704 logG= -0.007444 TDE= -0.066978 Density= 0.136436 ETOT(band)= 0.000044 trlgG= -0.017632 logG= -0.014692 TDE= -0.133567 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009506 tlogG= -0.005550 logG= -0.015056 Density= 0.135917 ETOT(band)= -0.000764 trlgG= -0.018896 logG= -0.015056 TDE= -0.133970 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019041 tlogG= -0.010715 logG= -0.029756 Density= 0.272161 ETOT(band)= -0.000977 trlgG= -0.036953 logG= -0.029756 TDE= -0.267768 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009518 tlogG= -0.005326 logG= -0.014844 Density= 0.136859 ETOT(band)= 0.000345 trlgG= -0.017560 logG= -0.014844 TDE= -0.133747 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009674 tlogG= -0.007153 logG= -0.016827 Density= 0.147769 ETOT(band)= 0.009774 trlgG= -0.010682 logG= -0.016827 TDE= -0.135331 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009439 tlogG= -0.005989 logG= -0.015428 Density= 0.138072 ETOT(band)= 0.001503 trlgG= -0.017160 logG= -0.015428 TDE= -0.133924 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009254 tlogG= -0.008863 logG= -0.018117 Density= 0.139501 ETOT(band)= 0.004239 trlgG= -0.016602 logG= -0.018117 TDE= -0.132045 logGD-logG0= -0.004752 tlogG= -0.002605 logG= -0.007357 Density= 0.065384 ETOT(band)= -0.002441 trlgG= -0.011243 logG= -0.007357 TDE= -0.066486 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002315 tlogG= -0.002357 logG= -0.004672 Density= 0.034898 ETOT(band)= 0.001077 trlgG= -0.004307 logG= -0.004672 TDE= -0.033047 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009305 tlogG= -0.007802 logG= -0.017107 Density= 0.138651 ETOT(band)= 0.003434 trlgG= -0.016328 logG= -0.017107 TDE= -0.131968 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002417 tlogG= -0.001872 logG= -0.004289 Density= 0.036996 ETOT(band)= 0.002763 trlgG= -0.002400 logG= -0.004289 TDE= -0.033531 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009351 tlogG= -0.007461 logG= -0.016812 Density= 0.137677 ETOT(band)= 0.002207 trlgG= -0.017400 logG= -0.016812 TDE= -0.132402 logGD-logG0= -0.009287 tlogG= -0.008028 logG= -0.017314 Density= 0.138914 ETOT(band)= 0.003811 trlgG= -0.016214 logG= -0.017314 TDE= -0.131897 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004644 tlogG= -0.004042 logG= -0.008686 Density= 0.069969 ETOT(band)= 0.002414 trlgG= -0.007661 logG= -0.008686 TDE= -0.065964 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002363 tlogG= -0.001978 logG= -0.004341 Density= 0.035806 ETOT(band)= 0.001890 trlgG= -0.003192 logG= -0.004341 TDE= -0.033133 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009318 tlogG= -0.008473 logG= -0.017791 Density= 0.140900 ETOT(band)= 0.005567 trlgG= -0.015099 logG= -0.017791 TDE= -0.132208 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009360 tlogG= -0.006932 logG= -0.016292 Density= 0.139401 ETOT(band)= 0.004453 trlgG= -0.014633 logG= -0.016292 TDE= -0.131806 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009370 tlogG= -0.007366 logG= -0.016736 Density= 0.140991 ETOT(band)= 0.005726 trlgG= -0.013915 logG= -0.016736 TDE= -0.132167 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009525 tlogG= -0.005375 logG= -0.014901 Density= 0.133746 ETOT(band)= -0.001449 trlgG= -0.019398 logG= -0.014901 TDE= -0.132548 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009253 tlogG= -0.009091 logG= -0.018345 Density= 0.139693 ETOT(band)= 0.004428 trlgG= -0.016710 logG= -0.018345 TDE= -0.132110 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009550 tlogG= -0.005080 logG= -0.014630 Density= 0.130435 ETOT(band)= -0.004531 trlgG= -0.022067 logG= -0.014630 TDE= -0.132318 logGD-logG0= -0.018953 tlogG= -0.013309 logG= -0.032263 Density= 0.284592 ETOT(band)= 0.013580 trlgG= -0.024840 logG= -0.032263 TDE= -0.265050 logGD-logG0= -0.004737 tlogG= -0.002846 logG= -0.007584 Density= 0.068410 ETOT(band)= 0.001031 trlgG= -0.008031 logG= -0.007584 TDE= -0.065945 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009723 tlogG= -0.006737 logG= -0.016460 Density= 0.145857 ETOT(band)= 0.009426 trlgG= -0.010488 logG= -0.016460 TDE= -0.133674 logGD-logG0= -0.009408 tlogG= -0.006404 logG= -0.015813 logGD-logG0= -0.018618 tlogG= -0.015847 logG= -0.034465 logGD-logG0= -0.009413 tlogG= -0.007564 logG= -0.016977 Density= 0.142474 ETOT(band)= 0.007019 trlgG= -0.012891 logG= -0.016977 TDE= -0.132321 Density= 0.280485 ETOT(band)= 0.010132 trlgG= -0.029907 logG= -0.034465 TDE= -0.263984 Density= 0.137536 ETOT(band)= 0.002263 trlgG= -0.016646 logG= -0.015813 TDE= -0.132512 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018730 tlogG= -0.014074 logG= -0.032804 Density= 0.277674 ETOT(band)= 0.007311 trlgG= -0.031005 logG= -0.032804 TDE= -0.264052 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009581 tlogG= -0.005729 logG= -0.015311 Density= 0.141281 ETOT(band)= 0.005715 trlgG= -0.012844 logG= -0.015311 TDE= -0.132798 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018896 tlogG= -0.011779 logG= -0.030674 Density= 0.276976 ETOT(band)= 0.006879 trlgG= -0.029855 logG= -0.030674 TDE= -0.264362 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009396 tlogG= -0.006708 logG= -0.016104 Density= 0.140818 ETOT(band)= 0.005803 trlgG= -0.013292 logG= -0.016104 TDE= -0.132010 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009601 tlogG= -0.007210 logG= -0.016811 Density= 0.144898 ETOT(band)= 0.008894 trlgG= -0.011054 logG= -0.016811 TDE= -0.132972 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003105 tlogG= 0.069652 logG= 0.066547 Density= 0.046308 ETOT(band)= 0.001245 trlgG= 0.066895 logG= 0.066547 TDE= -0.043989 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003085 tlogG= 0.069253 logG= 0.066168 Density= 0.046243 ETOT(band)= 0.001150 trlgG= 0.066407 logG= 0.066168 TDE= -0.044035 logGD-logG0= -0.003074 tlogG= 0.068967 logG= 0.065893 Density= 0.045901 ETOT(band)= 0.000837 trlgG= 0.065797 logG= 0.065893 TDE= -0.044043 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002306 tlogG= 0.051745 logG= 0.049439 Density= 0.034487 ETOT(band)= 0.000676 trlgG= 0.049421 logG= 0.049439 TDE= -0.033036 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009250 tlogG= 0.207781 logG= 0.198531 Density= 0.138698 ETOT(band)= 0.003481 trlgG= 0.199193 logG= 0.198531 TDE= -0.132130 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009287 tlogG= 0.208483 logG= 0.199196 Density= 0.139185 ETOT(band)= 0.003993 trlgG= 0.200400 logG= 0.199196 TDE= -0.132054 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004617 tlogG= 0.103708 logG= 0.099091 Density= 0.069210 ETOT(band)= 0.001578 trlgG= 0.099289 logG= 0.099091 TDE= -0.066065 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 5.27709862495288 eV TrLogG= -13.5632015334291 eV Ratio to renormalize= 0.999999999890 rho-rho_expected= 0.000000001762 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 57) Finished k-point number 58 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 62) Finished k-point number 63 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 75) Finished k-point number 76 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 83) Finished k-point number 84 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 90) Finished k-point number 91 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 20 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930639601213518 0.927157796264550 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 32) Finished k-point number 33 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 16) Finished k-point number 17 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 17) Finished k-point number 18 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 22) Finished k-point number 23 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 20) Finished k-point number 21 1 with #bands= 26 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 81) Finished k-point number 82 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0263346485656 Density= 16.0075215428721 16.0000000000000 EF 12.7542208164520 Density= 15.3928525904671 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95741802 0.93741802 0.752154E-02 -0.607147 1 0.95717329 0.93741802 0.102129E-02 -0.607147 2 0.95713490 0.95717329 -0.194270E-06 0.102129E-02 3 0.95713491 0.95713490 0.496243E-10 -0.194270E-06 Absolute convergence of |F(X)|. Difference in EF= -0.0038519667 EF set to : 13.0224826819 new EF (no-mixing): 13.0224826819 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001199 tlogG= -0.001248 logG= -0.002447 Density= 0.019006 ETOT(band)= 0.001318 trlgG= -0.001581 logG= -0.002447 TDE= -0.017326 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002389 tlogG= -0.002402 logG= -0.004791 Density= 0.037964 ETOT(band)= 0.002731 trlgG= -0.002967 logG= -0.004791 TDE= -0.034512 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009563 tlogG= -0.009526 logG= -0.019089 Density= 0.151950 ETOT(band)= 0.010797 trlgG= -0.011906 logG= -0.019089 TDE= -0.138254 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004777 tlogG= -0.004614 logG= -0.009392 Density= 0.075949 ETOT(band)= 0.005479 trlgG= -0.005721 logG= -0.009392 TDE= -0.069023 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002394 tlogG= -0.002078 logG= -0.004472 Density= 0.037530 ETOT(band)= 0.002781 trlgG= -0.002640 logG= -0.004472 TDE= -0.034090 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009590 tlogG= -0.008060 logG= -0.017650 Density= 0.150853 ETOT(band)= 0.011218 trlgG= -0.010155 logG= -0.017650 TDE= -0.136892 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004797 tlogG= -0.004193 logG= -0.008990 Density= 0.075627 ETOT(band)= 0.005532 trlgG= -0.005330 logG= -0.008990 TDE= -0.068725 logGD-logG0= -0.009616 tlogG= -0.006694 logG= -0.016310 Density= 0.143466 ETOT(band)= 0.005037 trlgG= -0.014782 logG= -0.016310 TDE= -0.135788 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001564 tlogG= -0.001327 logG= -0.002890 logGD-logG0= -0.009594 tlogG= -0.008666 logG= -0.018260 Density= 0.022805 ETOT(band)= -0.000066 trlgG= -0.003447 logG= -0.002890 TDE= -0.022384 Density= 0.151067 ETOT(band)= 0.011312 trlgG= -0.010692 logG= -0.018260 TDE= -0.137023 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009605 tlogG= -0.008799 logG= -0.018404 Density= 0.151494 ETOT(band)= 0.011284 trlgG= -0.010826 logG= -0.018404 TDE= -0.137422 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009565 tlogG= -0.007801 logG= -0.017366 Density= 0.150219 ETOT(band)= 0.011634 trlgG= -0.009414 logG= -0.017366 TDE= -0.135828 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019179 tlogG= -0.015897 logG= -0.035076 logGD-logG0= -0.019160 tlogG= -0.014779 logG= -0.033939 Density= 0.299722 ETOT(band)= 0.022295 trlgG= -0.018873 logG= -0.033939 TDE= -0.271809 Density= 0.301855 ETOT(band)= 0.022354 trlgG= -0.020174 logG= -0.035076 TDE= -0.274015 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009607 tlogG= -0.006640 logG= -0.016246 Density= 0.147378 ETOT(band)= 0.008982 trlgG= -0.010855 logG= -0.016246 TDE= -0.135670 logGD-logG0= -0.004778 tlogG= -0.003567 logG= -0.008345 Density= 0.074861 ETOT(band)= 0.005301 trlgG= -0.004827 logG= -0.008345 TDE= -0.068134 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003121 tlogG= -0.002549 logG= -0.005669 Density= 0.045440 ETOT(band)= -0.000127 trlgG= -0.006817 logG= -0.005669 TDE= -0.044640 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003075 tlogG= -0.002620 logG= -0.005695 Density= 0.045918 ETOT(band)= 0.000763 trlgG= -0.005800 logG= -0.005695 TDE= -0.044055 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009374 tlogG= -0.007515 logG= -0.016889 Density= 0.136909 ETOT(band)= -0.000081 trlgG= -0.020072 logG= -0.016889 TDE= -0.134224 logGD-logG0= -0.003103 tlogG= -0.002572 logG= -0.005675 Density= 0.045660 ETOT(band)= 0.000269 trlgG= -0.006351 logG= -0.005675 TDE= -0.044379 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009352 tlogG= -0.007355 logG= -0.016706 Density= 0.136824 ETOT(band)= 0.000364 trlgG= -0.019425 logG= -0.016706 TDE= -0.133678 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009366 tlogG= -0.007427 logG= -0.016793 Density= 0.136786 ETOT(band)= -0.000020 trlgG= -0.019929 logG= -0.016793 TDE= -0.134059 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009673 tlogG= -0.007153 logG= -0.016826 Density= 0.147787 ETOT(band)= 0.009755 trlgG= -0.010695 logG= -0.016826 TDE= -0.135322 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009383 tlogG= -0.006711 logG= -0.016095 Density= 0.137993 ETOT(band)= 0.001269 trlgG= -0.018058 logG= -0.016095 TDE= -0.134042 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009296 tlogG= -0.007417 logG= -0.016713 Density= 0.137455 ETOT(band)= 0.001630 trlgG= -0.017914 logG= -0.016713 TDE= -0.132764 logGD-logG0= -0.009356 tlogG= -0.006579 logG= -0.015934 Density= 0.137767 ETOT(band)= 0.001537 trlgG= -0.017567 logG= -0.015934 TDE= -0.133495 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009610 tlogG= -0.007565 logG= -0.017174 Density= 0.149206 ETOT(band)= 0.011447 trlgG= -0.009380 logG= -0.017174 TDE= -0.135016 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009478 tlogG= -0.006402 logG= -0.015880 Density= 0.140196 ETOT(band)= 0.003739 trlgG= -0.015264 logG= -0.015880 TDE= -0.133570 logGD-logG0= -0.009330 tlogG= -0.007385 logG= -0.016716 Density= 0.137043 ETOT(band)= 0.000758 trlgG= -0.018952 logG= -0.016716 TDE= -0.133404 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009455 tlogG= -0.006189 logG= -0.015645 Density= 0.138616 ETOT(band)= 0.001981 trlgG= -0.016822 logG= -0.015645 TDE= -0.133852 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009636 tlogG= -0.006557 logG= -0.016193 Density= 0.142278 ETOT(band)= 0.004555 trlgG= -0.015033 logG= -0.016193 TDE= -0.135019 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009464 tlogG= -0.005694 logG= -0.015157 Density= 0.133931 ETOT(band)= -0.002490 trlgG= -0.020802 logG= -0.015157 TDE= -0.133834 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009438 tlogG= -0.005991 logG= -0.015430 Density= 0.138072 ETOT(band)= 0.001466 trlgG= -0.017193 logG= -0.015430 TDE= -0.133917 logGD-logG0= -0.009381 tlogG= -0.006893 logG= -0.016274 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138527 ETOT(band)= 0.002179 trlgG= -0.017106 logG= -0.016274 TDE= -0.133422 logGD-logG0= -0.009392 tlogG= -0.006674 logG= -0.016066 Density= 0.137934 ETOT(band)= 0.001290 trlgG= -0.018042 logG= -0.016066 TDE= -0.133998 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004736 tlogG= -0.003131 logG= -0.007867 Density= 0.067671 ETOT(band)= -0.000936 trlgG= -0.010409 logG= -0.007867 TDE= -0.067313 logGD-logG0= -0.009327 tlogG= -0.006863 logG= -0.016190 Density= 0.139051 ETOT(band)= 0.003427 trlgG= -0.015567 logG= -0.016190 TDE= -0.132468 logGD-logG0= -0.009544 tlogG= -0.006605 logG= -0.016149 Density= 0.143452 ETOT(band)= 0.007176 trlgG= -0.012196 logG= -0.016149 TDE= -0.133350 logGD-logG0= -0.009376 tlogG= -0.006908 logG= -0.016284 Density= 0.137622 ETOT(band)= 0.000830 trlgG= -0.018697 logG= -0.016284 TDE= -0.134136 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004751 tlogG= -0.002602 logG= -0.007353 Density= 0.065368 ETOT(band)= -0.002476 trlgG= -0.011271 logG= -0.007353 TDE= -0.066484 logGD-logG0= -0.009483 tlogG= -0.006078 logG= -0.015561 Density= 0.135917 ETOT(band)= -0.000958 trlgG= -0.019747 logG= -0.015561 TDE= -0.134277 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009419 tlogG= -0.005671 logG= -0.015090 Density= 0.136890 ETOT(band)= 0.000817 trlgG= -0.017490 logG= -0.015090 TDE= -0.133423 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019319 tlogG= -0.012862 logG= -0.032181 Density= 0.284597 ETOT(band)= 0.008641 trlgG= -0.030437 logG= -0.032181 TDE= -0.270654 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018848 tlogG= -0.012059 logG= -0.030907 Density= 0.277991 ETOT(band)= 0.004990 trlgG= -0.032479 logG= -0.030907 TDE= -0.267647 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018954 tlogG= -0.010961 logG= -0.029915 Density= 0.271342 ETOT(band)= -0.001262 trlgG= -0.037540 logG= -0.029915 TDE= -0.267336 logGD-logG0= -0.019057 tlogG= -0.010287 logG= -0.029344 Density= 0.263684 ETOT(band)= -0.007811 trlgG= -0.043169 logG= -0.029344 TDE= -0.266206 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018744 tlogG= -0.013816 logG= -0.032560 logGD-logG0= -0.009684 tlogG= -0.006558 logG= -0.016242 Density= 0.275399 ETOT(band)= 0.002274 trlgG= -0.036638 logG= -0.032560 TDE= -0.267672 Density= 0.142751 ETOT(band)= 0.004484 trlgG= -0.015255 logG= -0.016242 TDE= -0.135644 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019388 tlogG= -0.012802 logG= -0.032189 Density= 0.289613 ETOT(band)= 0.015777 trlgG= -0.023174 logG= -0.032189 TDE= -0.268183 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018971 tlogG= -0.011562 logG= -0.030533 Density= 0.275223 ETOT(band)= 0.001954 trlgG= -0.034943 logG= -0.030533 TDE= -0.267836 logGD-logG0= -0.018850 tlogG= -0.012360 logG= -0.031210 Density= 0.278085 ETOT(band)= 0.005378 trlgG= -0.032233 logG= -0.031210 TDE= -0.267187 logGD-logG0= -0.018867 tlogG= -0.012204 logG= -0.031070 Density= 0.278301 ETOT(band)= 0.005002 trlgG= -0.032677 logG= -0.031070 TDE= -0.267979 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018784 tlogG= -0.012435 logG= -0.031220 Density= 0.278850 ETOT(band)= 0.007302 trlgG= -0.029942 logG= -0.031220 TDE= -0.265619 logGD-logG0= -0.000384 tlogG= 0.008602 logG= 0.008218 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.005724 ETOT(band)= 0.000088 trlgG= 0.008192 logG= 0.008218 TDE= -0.005505 logGD-logG0= -0.019096 tlogG= -0.012145 logG= -0.031241 Density= 0.281144 ETOT(band)= 0.007498 trlgG= -0.030362 logG= -0.031241 TDE= -0.268213 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019193 tlogG= -0.012014 logG= -0.031207 Density= 0.279887 ETOT(band)= 0.004977 trlgG= -0.032946 logG= -0.031207 TDE= -0.269628 logGD-logG0= -0.009491 tlogG= -0.005525 logG= -0.015016 Density= 0.133204 ETOT(band)= -0.003171 trlgG= -0.021275 logG= -0.015016 TDE= -0.133753 logGD-logG0= -0.018989 tlogG= -0.011811 logG= -0.030800 Density= 0.270402 ETOT(band)= -0.003391 trlgG= -0.040657 logG= -0.030800 TDE= -0.268668 logGD-logG0= -0.019067 tlogG= -0.010540 logG= -0.029607 Density= 0.277641 ETOT(band)= 0.005088 trlgG= -0.030962 logG= -0.029607 TDE= -0.267094 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018677 tlogG= -0.013861 logG= -0.032538 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.276010 ETOT(band)= 0.004050 trlgG= -0.034436 logG= -0.032538 TDE= -0.266077 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009561 tlogG= -0.004943 logG= -0.014503 Density= 0.130617 ETOT(band)= -0.005101 trlgG= -0.022538 logG= -0.014503 TDE= -0.133053 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018778 tlogG= -0.011738 logG= -0.030517 Density= 0.276591 ETOT(band)= 0.004910 trlgG= -0.031960 logG= -0.030517 TDE= -0.266179 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019136 tlogG= -0.011244 logG= -0.030380 Density= 0.277789 ETOT(band)= 0.004268 trlgG= -0.032627 logG= -0.030380 TDE= -0.268129 logGD-logG0= -0.019008 tlogG= -0.010619 logG= -0.029627 Density= 0.273996 ETOT(band)= 0.002449 trlgG= -0.033340 logG= -0.029627 TDE= -0.265964 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009712 tlogG= -0.005999 logG= -0.015711 Density= 0.143921 ETOT(band)= 0.006788 trlgG= -0.012293 logG= -0.015711 TDE= -0.134334 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009558 tlogG= -0.005239 logG= -0.014798 Density= 0.139797 ETOT(band)= 0.003217 trlgG= -0.014862 logG= -0.014798 TDE= -0.133869 logGD-logG0= -0.019041 tlogG= -0.010719 logG= -0.029760 Density= 0.272141 ETOT(band)= -0.001069 trlgG= -0.037038 logG= -0.029760 TDE= -0.267754 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009500 tlogG= -0.005193 logG= -0.014693 Density= 0.136438 ETOT(band)= 0.000008 trlgG= -0.017665 logG= -0.014693 TDE= -0.133561 logGD-logG0= -0.019096 tlogG= -0.010201 logG= -0.029297 Density= 0.266734 ETOT(band)= -0.005642 trlgG= -0.041021 logG= -0.029297 TDE= -0.267025 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009518 tlogG= -0.005328 logG= -0.014846 Density= 0.136854 ETOT(band)= 0.000303 trlgG= -0.017599 logG= -0.014846 TDE= -0.133741 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009507 tlogG= -0.005554 logG= -0.015061 Density= 0.135914 ETOT(band)= -0.000804 trlgG= -0.018937 logG= -0.015061 TDE= -0.133964 logGD-logG0= -0.004757 tlogG= -0.002689 logG= -0.007446 Density= 0.068642 ETOT(band)= 0.000304 trlgG= -0.008720 logG= -0.007446 TDE= -0.066974 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002417 tlogG= -0.001872 logG= -0.004289 Density= 0.037000 ETOT(band)= 0.002758 trlgG= -0.002404 logG= -0.004289 TDE= -0.033529 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002315 tlogG= -0.002357 logG= -0.004672 Density= 0.034900 ETOT(band)= 0.001069 trlgG= -0.004314 logG= -0.004672 TDE= -0.033046 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009351 tlogG= -0.007464 logG= -0.016815 Density= 0.137689 ETOT(band)= 0.002180 trlgG= -0.017426 logG= -0.016815 TDE= -0.132398 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009287 tlogG= -0.008030 logG= -0.017317 Density= 0.138922 ETOT(band)= 0.003780 trlgG= -0.016242 logG= -0.017317 TDE= -0.131892 logGD-logG0= -0.009305 tlogG= -0.007803 logG= -0.017108 logGD-logG0= -0.009318 tlogG= -0.008474 logG= -0.017792 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.138660 ETOT(band)= 0.003404 trlgG= -0.016354 logG= -0.017108 TDE= -0.131963 Density= 0.140901 ETOT(band)= 0.005529 trlgG= -0.015133 logG= -0.017792 TDE= -0.132202 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009370 tlogG= -0.007368 logG= -0.016738 Density= 0.140989 ETOT(band)= 0.005686 trlgG= -0.013953 logG= -0.016738 TDE= -0.132160 logGD-logG0= -0.004645 tlogG= -0.004043 logG= -0.008688 Density= 0.069971 ETOT(band)= 0.002397 trlgG= -0.007678 logG= -0.008688 TDE= -0.065961 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002362 tlogG= -0.001978 logG= -0.004341 Density= 0.035805 ETOT(band)= 0.001880 trlgG= -0.003202 logG= -0.004341 TDE= -0.033131 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009255 tlogG= -0.008865 logG= -0.018119 Density= 0.139508 ETOT(band)= 0.004207 trlgG= -0.016631 logG= -0.018119 TDE= -0.132040 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009600 tlogG= -0.007209 logG= -0.016809 Density= 0.144896 ETOT(band)= 0.008855 trlgG= -0.011088 logG= -0.016809 TDE= -0.132964 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009408 tlogG= -0.006407 logG= -0.015815 Density= 0.137548 ETOT(band)= 0.002236 trlgG= -0.016670 logG= -0.015815 TDE= -0.132507 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004737 tlogG= -0.002846 logG= -0.007583 Density= 0.068398 ETOT(band)= 0.001000 trlgG= -0.008059 logG= -0.007583 TDE= -0.065942 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009360 tlogG= -0.006932 logG= -0.016292 Density= 0.139406 ETOT(band)= 0.004419 trlgG= -0.014662 logG= -0.016292 TDE= -0.131801 logGD-logG0= -0.009525 tlogG= -0.005377 logG= -0.014903 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.133735 ETOT(band)= -0.001496 trlgG= -0.019443 logG= -0.014903 TDE= -0.132543 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018618 tlogG= -0.015850 logG= -0.034469 Density= 0.280491 ETOT(band)= 0.010062 trlgG= -0.029973 logG= -0.034469 TDE= -0.263972 logGD-logG0= -0.009722 tlogG= -0.006736 logG= -0.016458 Density= 0.145862 ETOT(band)= 0.009394 trlgG= -0.010514 logG= -0.016458 TDE= -0.133665 logGD-logG0= -0.009413 tlogG= -0.007564 logG= -0.016977 Density= 0.142469 ETOT(band)= 0.006977 trlgG= -0.012929 logG= -0.016977 TDE= -0.132314 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009254 tlogG= -0.009093 logG= -0.018346 logGD-logG0= -0.018953 tlogG= -0.013310 logG= -0.032263 Density= 0.139699 ETOT(band)= 0.004396 trlgG= -0.016739 logG= -0.018346 TDE= -0.132105 Density= 0.284576 ETOT(band)= 0.013491 trlgG= -0.024920 logG= -0.032263 TDE= -0.265035 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009550 tlogG= -0.005082 logG= -0.014632 Density= 0.130402 ETOT(band)= -0.004597 trlgG= -0.022131 logG= -0.014632 TDE= -0.132312 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009581 tlogG= -0.005730 logG= -0.015311 logGD-logG0= -0.018899 tlogG= -0.011790 logG= -0.030689 Density= 0.141259 ETOT(band)= 0.005658 trlgG= -0.012896 logG= -0.015311 TDE= -0.132789 Density= 0.276993 ETOT(band)= 0.006825 trlgG= -0.029919 logG= -0.030689 TDE= -0.264349 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018730 tlogG= -0.014080 logG= -0.032810 Density= 0.277687 ETOT(band)= 0.007246 trlgG= -0.031068 logG= -0.032810 TDE= -0.264042 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009394 tlogG= -0.006706 logG= -0.016100 Density= 0.140817 ETOT(band)= 0.005763 trlgG= -0.013322 logG= -0.016100 TDE= -0.132003 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003074 tlogG= 0.068946 logG= 0.065872 logGD-logG0= -0.003105 tlogG= 0.069630 logG= 0.066526 Density= 0.046311 ETOT(band)= 0.001235 trlgG= 0.066865 logG= 0.066526 TDE= -0.043987 logGD-logG0= -0.003085 tlogG= 0.069231 logG= 0.066146 Density= 0.046246 ETOT(band)= 0.001141 trlgG= 0.066376 logG= 0.066146 TDE= -0.044034 Density= 0.045905 ETOT(band)= 0.000828 trlgG= 0.065768 logG= 0.065872 TDE= -0.044041 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002306 tlogG= 0.051729 logG= 0.049422 Density= 0.034490 ETOT(band)= 0.000669 trlgG= 0.049399 logG= 0.049422 TDE= -0.033035 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004617 tlogG= 0.103674 logG= 0.099058 Density= 0.069216 ETOT(band)= 0.001564 trlgG= 0.099243 logG= 0.099058 TDE= -0.066063 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009251 tlogG= 0.207715 logG= 0.198464 Density= 0.138709 ETOT(band)= 0.003452 trlgG= 0.199102 logG= 0.198464 TDE= -0.132125 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009287 tlogG= 0.208418 logG= 0.199131 Density= 0.139194 ETOT(band)= 0.003961 trlgG= 0.200309 logG= 0.199131 TDE= -0.132049 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 5.21936698161330 eV TrLogG= -13.6184147896613 eV Ratio to renormalize= 0.999999999728 rho-rho_expected= 0.000000004359 nargs= 1 argi=dmft2.def 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 38) Finished k-point number 39 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 34) Finished k-point number 35 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 60) Finished k-point number 61 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 69) Finished k-point number 70 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 21) Finished k-point number 22 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 91) Finished k-point number 92 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 76) Finished k-point number 77 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 40) Finished k-point number 41 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 94) Finished k-point number 95 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 88) Finished k-point number 89 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930597487617901 0.927113817932933 16) Finished k-point number 17 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 12) Finished k-point number 13 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 23) Finished k-point number 24 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 30) Finished k-point number 31 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 19) Finished k-point number 20 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 26 55) Finished k-point number 56 1 with #bands= 20 8) Finished k-point number 9 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 46) Finished k-point number 47 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 99) Finished k-point number 100 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 58) Finished k-point number 59 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0224826818612 Density= 15.9384099760955 16.0000000000000 EF 13.2945965139748 Density= 16.4410001235344 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97713491 0.95713491 0.441000 -0.615900E-01 1 0.96713491 0.95713493 0.199101 -0.615900E-01 2 0.96213492 0.95713516 0.720699E-01 -0.615900E-01 3 0.95963504 0.95713480 0.630445E-02 -0.615900E-01 4 0.95939941 0.95713480 0.367013E-05 -0.615900E-01 5 0.95939927 0.95713480 0.157971E-09 -0.615900E-01 6 0.95939927 0.95939927 -0.252015E-08 0.157971E-09 7 0.95939927 0.95939927 -0.252015E-08 0.157971E-09 Absolute convergence of the X interval. Difference in EF too large to mix 3.080825233804919E-002 cutoff= 2.9999999E-02 Difference in EF= 0.0308082523 EF set to : 13.0532909342 new EF (no-mixing): 13.0532909342 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001204 tlogG= -0.001250 logG= -0.002454 Density= 0.018978 ETOT(band)= 0.001289 trlgG= -0.001601 logG= -0.002454 TDE= -0.017355 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009603 tlogG= -0.009542 logG= -0.019144 Density= 0.151722 ETOT(band)= 0.010567 trlgG= -0.012068 logG= -0.019144 TDE= -0.138485 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002399 tlogG= -0.002406 logG= -0.004805 Density= 0.037906 ETOT(band)= 0.002672 trlgG= -0.003008 logG= -0.004805 TDE= -0.034570 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004797 tlogG= -0.004622 logG= -0.009420 Density= 0.075836 ETOT(band)= 0.005364 trlgG= -0.005802 logG= -0.009420 TDE= -0.069139 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002404 tlogG= -0.002082 logG= -0.004486 Density= 0.037469 ETOT(band)= 0.002719 trlgG= -0.002686 logG= -0.004486 TDE= -0.034148 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009634 tlogG= -0.008682 logG= -0.018316 logGD-logG0= -0.009630 tlogG= -0.008076 logG= -0.017706 Density= 0.150633 ETOT(band)= 0.010995 trlgG= -0.010312 logG= -0.017706 TDE= -0.137123 Density= 0.150828 ETOT(band)= 0.011070 trlgG= -0.010866 logG= -0.018316 TDE= -0.137254 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004818 tlogG= -0.004201 logG= -0.009019 logGD-logG0= -0.001570 tlogG= -0.001324 logG= -0.002894 Density= 0.075508 ETOT(band)= 0.005411 trlgG= -0.005417 logG= -0.009019 TDE= -0.068841 logGD-logG0= -0.009652 tlogG= -0.006704 logG= -0.016356 Density= 0.143793 ETOT(band)= 0.005340 trlgG= -0.014420 logG= -0.016356 TDE= -0.136019 Density= 0.022780 ETOT(band)= -0.000092 trlgG= -0.003461 logG= -0.002894 TDE= -0.022422 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009645 tlogG= -0.008815 logG= -0.018460 Density= 0.151261 ETOT(band)= 0.011047 trlgG= -0.010993 logG= -0.018460 TDE= -0.137653 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019258 tlogG= -0.015926 logG= -0.035185 Density= 0.301409 ETOT(band)= 0.021901 trlgG= -0.020490 logG= -0.035185 TDE= -0.274477 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009604 tlogG= -0.007817 logG= -0.017420 Density= 0.150027 ETOT(band)= 0.011439 trlgG= -0.009543 logG= -0.017420 TDE= -0.136058 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019234 tlogG= -0.014810 logG= -0.034044 Density= 0.299461 ETOT(band)= 0.022028 trlgG= -0.019013 logG= -0.034044 TDE= -0.272271 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009642 tlogG= -0.006655 logG= -0.016297 Density= 0.147398 ETOT(band)= 0.008995 trlgG= -0.010784 logG= -0.016297 TDE= -0.135900 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004796 tlogG= -0.003575 logG= -0.008371 Density= 0.074824 ETOT(band)= 0.005262 trlgG= -0.004835 logG= -0.008371 TDE= -0.068250 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003132 tlogG= -0.002542 logG= -0.005674 Density= 0.045387 ETOT(band)= -0.000181 trlgG= -0.006846 logG= -0.005674 TDE= -0.044716 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003086 tlogG= -0.002616 logG= -0.005702 Density= 0.045878 ETOT(band)= 0.000723 trlgG= -0.005817 logG= -0.005702 TDE= -0.044130 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009402 tlogG= -0.007413 logG= -0.016815 logGD-logG0= -0.003114 tlogG= -0.002567 logG= -0.005682 Density= 0.045612 ETOT(band)= 0.000221 trlgG= -0.006377 logG= -0.005682 TDE= -0.044456 Density= 0.136642 ETOT(band)= -0.000166 trlgG= -0.020008 logG= -0.016815 TDE= -0.134288 logGD-logG0= -0.009410 tlogG= -0.007499 logG= -0.016909 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136770 ETOT(band)= -0.000223 trlgG= -0.020145 logG= -0.016909 TDE= -0.134453 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009386 tlogG= -0.007337 logG= -0.016723 Density= 0.136682 ETOT(band)= 0.000220 trlgG= -0.019497 logG= -0.016723 TDE= -0.133907 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009330 tlogG= -0.007403 logG= -0.016733 Density= 0.137329 ETOT(band)= 0.001503 trlgG= -0.017973 logG= -0.016733 TDE= -0.132993 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009681 tlogG= -0.006551 logG= -0.016231 Density= 0.142432 ETOT(band)= 0.004685 trlgG= -0.014831 logG= -0.016231 TDE= -0.135249 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009419 tlogG= -0.006698 logG= -0.016116 Density= 0.137902 ETOT(band)= 0.001169 trlgG= -0.018085 logG= -0.016116 TDE= -0.134271 logGD-logG0= -0.009647 tlogG= -0.007581 logG= -0.017228 Density= 0.149074 ETOT(band)= 0.011312 trlgG= -0.009452 logG= -0.017228 TDE= -0.135247 logGD-logG0= -0.009392 tlogG= -0.006568 logG= -0.015960 Density= 0.137668 ETOT(band)= 0.001433 trlgG= -0.017605 logG= -0.015960 TDE= -0.133724 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009514 tlogG= -0.006396 logG= -0.015911 Density= 0.140240 ETOT(band)= 0.003765 trlgG= -0.015165 logG= -0.015911 TDE= -0.133800 logGD-logG0= -0.009709 tlogG= -0.007168 logG= -0.016877 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009498 tlogG= -0.005673 logG= -0.015171 Density= 0.147729 ETOT(band)= 0.009691 trlgG= -0.010698 logG= -0.016877 TDE= -0.135552 Density= 0.133849 ETOT(band)= -0.002575 trlgG= -0.020782 logG= -0.015171 TDE= -0.134025 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009366 tlogG= -0.007370 logG= -0.016736 Density= 0.136905 ETOT(band)= 0.000619 trlgG= -0.019023 logG= -0.016736 TDE= -0.133633 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009473 tlogG= -0.005978 logG= -0.015451 Density= 0.138056 ETOT(band)= 0.001438 trlgG= -0.017147 logG= -0.015451 TDE= -0.134147 logGD-logG0= -0.009426 tlogG= -0.006662 logG= -0.016088 Density= 0.137846 ETOT(band)= 0.001192 trlgG= -0.018066 logG= -0.016088 TDE= -0.134227 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009360 tlogG= -0.006855 logG= -0.016216 Density= 0.138998 ETOT(band)= 0.003365 trlgG= -0.015593 logG= -0.016216 TDE= -0.132733 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009583 tlogG= -0.006607 logG= -0.016190 Density= 0.143488 ETOT(band)= 0.007195 trlgG= -0.012107 logG= -0.016190 TDE= -0.133580 logGD-logG0= -0.009414 tlogG= -0.006881 logG= -0.016295 Density= 0.138450 ETOT(band)= 0.002094 trlgG= -0.017118 logG= -0.016295 TDE= -0.133651 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004755 tlogG= -0.003122 logG= -0.007876 Density= 0.067605 ETOT(band)= -0.001004 trlgG= -0.010425 logG= -0.007876 TDE= -0.067409 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009451 tlogG= -0.005652 logG= -0.015104 logGD-logG0= -0.009519 tlogG= -0.006062 logG= -0.015580 Density= 0.135839 ETOT(band)= -0.001043 trlgG= -0.019725 logG= -0.015580 TDE= -0.134468 Density= 0.136898 ETOT(band)= 0.000812 trlgG= -0.017415 logG= -0.015104 TDE= -0.133652 logGD-logG0= -0.004767 tlogG= -0.002597 logG= -0.007364 Density= 0.065392 ETOT(band)= -0.002455 trlgG= -0.011206 logG= -0.007364 TDE= -0.066579 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009412 tlogG= -0.006895 logG= -0.016307 Density= 0.137515 ETOT(band)= 0.000717 trlgG= -0.018740 logG= -0.016307 TDE= -0.134366 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009491 tlogG= -0.006178 logG= -0.015669 Density= 0.138615 ETOT(band)= 0.001967 trlgG= -0.016763 logG= -0.015669 TDE= -0.134082 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019412 tlogG= -0.012846 logG= -0.032258 Density= 0.285014 ETOT(band)= 0.009007 trlgG= -0.029930 logG= -0.032258 TDE= -0.271115 logGD-logG0= -0.019022 tlogG= -0.010934 logG= -0.029956 Density= 0.271498 ETOT(band)= -0.001132 trlgG= -0.037275 logG= -0.029956 TDE= -0.267795 logGD-logG0= -0.009727 tlogG= -0.006555 logG= -0.016283 Density= 0.143043 ETOT(band)= 0.004751 trlgG= -0.014922 logG= -0.016283 TDE= -0.135875 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018920 tlogG= -0.012042 logG= -0.030962 Density= 0.277941 ETOT(band)= 0.004916 trlgG= -0.032412 logG= -0.030962 TDE= -0.268106 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018812 tlogG= -0.013787 logG= -0.032599 Density= 0.275189 ETOT(band)= 0.002052 trlgG= -0.036713 logG= -0.032599 TDE= -0.268131 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018920 tlogG= -0.012339 logG= -0.031259 logGD-logG0= -0.018939 tlogG= -0.012188 logG= -0.031127 Density= 0.278261 ETOT(band)= 0.004936 trlgG= -0.032602 logG= -0.031127 TDE= -0.268438 Density= 0.278040 ETOT(band)= 0.005309 trlgG= -0.032155 logG= -0.031259 TDE= -0.267647 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019044 tlogG= -0.011538 logG= -0.030581 Density= 0.275320 ETOT(band)= 0.002020 trlgG= -0.034735 logG= -0.030581 TDE= -0.268296 logGD-logG0= -0.019175 tlogG= -0.012138 logG= -0.031313 Density= 0.281366 ETOT(band)= 0.007675 trlgG= -0.030045 logG= -0.031313 TDE= -0.268673 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019137 tlogG= -0.010523 logG= -0.029661 Density= 0.278248 ETOT(band)= 0.005648 trlgG= -0.030263 logG= -0.029661 TDE= -0.267554 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019113 tlogG= -0.010257 logG= -0.029371 Density= 0.264011 ETOT(band)= -0.007526 trlgG= -0.042744 logG= -0.029371 TDE= -0.266665 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019459 tlogG= -0.012817 logG= -0.032276 Density= 0.289669 ETOT(band)= 0.015805 trlgG= -0.023011 logG= -0.032276 TDE= -0.268644 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019069 tlogG= -0.010604 logG= -0.029673 logGD-logG0= -0.000385 tlogG= 0.008624 logG= 0.008239 Density= 0.274698 ETOT(band)= 0.003093 trlgG= -0.032626 logG= -0.029673 TDE= -0.266498 logGD-logG0= -0.018852 tlogG= -0.012426 logG= -0.031278 Density= 0.278851 ETOT(band)= 0.007275 trlgG= -0.029899 logG= -0.031278 TDE= -0.266150 Density= 0.005718 ETOT(band)= 0.000083 trlgG= 0.008211 logG= 0.008239 TDE= -0.005515 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.018844 tlogG= -0.011708 logG= -0.030552 Density= 0.276558 ETOT(band)= 0.004855 trlgG= -0.031860 logG= -0.030552 TDE= -0.266638 logGD-logG0= -0.018743 tlogG= -0.013833 logG= -0.032575 Density= 0.275807 ETOT(band)= 0.003837 trlgG= -0.034502 logG= -0.032575 TDE= -0.266536 logGD-logG0= -0.019061 tlogG= -0.011773 logG= -0.030835 Density= 0.270203 ETOT(band)= -0.003602 trlgG= -0.040653 logG= -0.030835 TDE= -0.269051 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009526 tlogG= -0.005507 logG= -0.015033 Density= 0.133164 ETOT(band)= -0.003213 trlgG= -0.021219 logG= -0.015033 TDE= -0.133944 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009602 tlogG= -0.004915 logG= -0.014517 Density= 0.130866 ETOT(band)= -0.004884 trlgG= -0.022263 logG= -0.014517 TDE= -0.133299 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019211 tlogG= -0.011222 logG= -0.030433 Density= 0.278164 ETOT(band)= 0.004597 trlgG= -0.032152 logG= -0.030433 TDE= -0.268589 logGD-logG0= -0.009592 tlogG= -0.005235 logG= -0.014828 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009745 tlogG= -0.006008 logG= -0.015753 Density= 0.144041 ETOT(band)= 0.006891 trlgG= -0.012125 logG= -0.015753 TDE= -0.134565 Density= 0.140030 ETOT(band)= 0.003428 trlgG= -0.014582 logG= -0.014828 TDE= -0.134099 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019276 tlogG= -0.011994 logG= -0.031270 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.280146 ETOT(band)= 0.005189 trlgG= -0.032587 logG= -0.031270 TDE= -0.270089 logGD-logG0= -0.019154 tlogG= -0.010172 logG= -0.029326 Density= 0.267146 ETOT(band)= -0.005268 trlgG= -0.040510 logG= -0.029326 TDE= -0.267484 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019109 tlogG= -0.010692 logG= -0.029801 Density= 0.272379 ETOT(band)= -0.000859 trlgG= -0.036694 logG= -0.029801 TDE= -0.268213 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009532 tlogG= -0.005179 logG= -0.014711 Density= 0.136455 ETOT(band)= 0.000017 trlgG= -0.017570 logG= -0.014711 TDE= -0.133773 logGD-logG0= -0.009551 tlogG= -0.005315 logG= -0.014866 Density= 0.136926 ETOT(band)= 0.000363 trlgG= -0.017469 logG= -0.014866 TDE= -0.133970 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004774 tlogG= -0.002683 logG= -0.007457 Density= 0.068633 ETOT(band)= 0.000289 trlgG= -0.008699 logG= -0.007457 TDE= -0.067089 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009542 tlogG= -0.005538 logG= -0.015080 Density= 0.135887 ETOT(band)= -0.000836 trlgG= -0.018865 logG= -0.015080 TDE= -0.134156 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002426 tlogG= -0.001876 logG= -0.004301 Density= 0.036986 ETOT(band)= 0.002742 trlgG= -0.002404 logG= -0.004301 TDE= -0.033587 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009337 tlogG= -0.007793 logG= -0.017130 Density= 0.138569 ETOT(band)= 0.003310 trlgG= -0.016379 logG= -0.017130 TDE= -0.132192 logGD-logG0= -0.009286 tlogG= -0.008856 logG= -0.018143 Density= 0.139429 ETOT(band)= 0.004123 trlgG= -0.016644 logG= -0.018143 TDE= -0.132269 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002323 tlogG= -0.002355 logG= -0.004679 Density= 0.034881 ETOT(band)= 0.001048 trlgG= -0.004317 logG= -0.004679 TDE= -0.033103 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009384 tlogG= -0.007449 logG= -0.016832 Density= 0.137567 ETOT(band)= 0.002057 trlgG= -0.017478 logG= -0.016832 TDE= -0.132627 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009318 tlogG= -0.008019 logG= -0.017337 Density= 0.138835 ETOT(band)= 0.003689 trlgG= -0.016260 logG= -0.017337 TDE= -0.132121 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004661 tlogG= -0.004040 logG= -0.008701 Density= 0.069939 ETOT(band)= 0.002362 trlgG= -0.007677 logG= -0.008701 TDE= -0.066076 logGD-logG0= -0.002371 tlogG= -0.001979 logG= -0.004350 Density= 0.035805 ETOT(band)= 0.001876 trlgG= -0.003187 logG= -0.004350 TDE= -0.033189 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009403 tlogG= -0.007364 logG= -0.016767 Density= 0.140982 ETOT(band)= 0.005665 trlgG= -0.013920 logG= -0.016767 TDE= -0.132411 logGD-logG0= -0.009638 tlogG= -0.007215 logG= -0.016853 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.144890 ETOT(band)= 0.008836 trlgG= -0.011039 logG= -0.016853 TDE= -0.133194 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009351 tlogG= -0.008471 logG= -0.017822 Density= 0.140866 ETOT(band)= 0.005484 trlgG= -0.015107 logG= -0.017822 TDE= -0.132432 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009392 tlogG= -0.006925 logG= -0.016317 Density= 0.139345 ETOT(band)= 0.004350 trlgG= -0.014687 logG= -0.016317 TDE= -0.132057 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009555 tlogG= -0.005365 logG= -0.014920 Density= 0.133897 ETOT(band)= -0.001348 trlgG= -0.019231 logG= -0.014920 TDE= -0.132772 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009441 tlogG= -0.006393 logG= -0.015835 Density= 0.137445 ETOT(band)= 0.002128 trlgG= -0.016706 logG= -0.015835 TDE= -0.132736 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004753 tlogG= -0.002843 logG= -0.007596 Density= 0.068460 ETOT(band)= 0.001056 trlgG= -0.007990 logG= -0.007596 TDE= -0.066075 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019024 tlogG= -0.013309 logG= -0.032333 Density= 0.284665 ETOT(band)= 0.013544 trlgG= -0.024795 logG= -0.032333 TDE= -0.265570 logGD-logG0= -0.018682 tlogG= -0.015839 logG= -0.034521 Density= 0.280395 ETOT(band)= 0.009949 trlgG= -0.029944 logG= -0.034521 TDE= -0.264434 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009285 tlogG= -0.009085 logG= -0.018371 Density= 0.139625 ETOT(band)= 0.004315 trlgG= -0.016748 logG= -0.018371 TDE= -0.132334 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009754 tlogG= -0.006751 logG= -0.016506 Density= 0.145826 ETOT(band)= 0.009348 trlgG= -0.010496 logG= -0.016506 TDE= -0.133895 logGD-logG0= -0.009448 tlogG= -0.007565 logG= -0.017013 Density= 0.142475 ETOT(band)= 0.006969 trlgG= -0.012876 logG= -0.017013 TDE= -0.132554 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018794 tlogG= -0.014061 logG= -0.032855 Density= 0.277540 ETOT(band)= 0.007085 trlgG= -0.031124 logG= -0.032855 TDE= -0.264541 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009590 tlogG= -0.005054 logG= -0.014643 Density= 0.130656 ETOT(band)= -0.004377 trlgG= -0.021856 logG= -0.014643 TDE= -0.132564 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009616 tlogG= -0.005730 logG= -0.015346 Density= 0.141485 ETOT(band)= 0.005859 trlgG= -0.012662 logG= -0.015346 TDE= -0.133057 logGD-logG0= -0.018965 tlogG= -0.011777 logG= -0.030742 Density= 0.277041 ETOT(band)= 0.006848 trlgG= -0.029833 logG= -0.030742 TDE= -0.264883 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009428 tlogG= -0.006704 logG= -0.016131 Density= 0.140808 ETOT(band)= 0.005742 trlgG= -0.013310 logG= -0.016131 TDE= -0.132270 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003085 tlogG= 0.069122 logG= 0.066037 Density= 0.045862 ETOT(band)= 0.000785 trlgG= 0.065919 logG= 0.066037 TDE= -0.044118 logGD-logG0= -0.003115 tlogG= 0.069805 logG= 0.066690 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Density= 0.046280 ETOT(band)= 0.001202 trlgG= 0.067027 logG= 0.066690 TDE= -0.044063 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002314 tlogG= 0.051861 logG= 0.049546 Density= 0.034459 ETOT(band)= 0.000638 trlgG= 0.049514 logG= 0.049546 TDE= -0.033092 logGD-logG0= -0.009282 tlogG= 0.208241 logG= 0.198959 Density= 0.138605 ETOT(band)= 0.003345 trlgG= 0.199582 logG= 0.198959 TDE= -0.132354 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004632 tlogG= 0.103938 logG= 0.099306 Density= 0.069159 ETOT(band)= 0.001506 trlgG= 0.099479 logG= 0.099306 TDE= -0.066177 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003096 tlogG= 0.069407 logG= 0.066311 Density= 0.046211 ETOT(band)= 0.001104 trlgG= 0.066536 logG= 0.066311 TDE= -0.044110 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009319 tlogG= 0.208941 logG= 0.199622 Density= 0.139103 ETOT(band)= 0.003868 trlgG= 0.200799 logG= 0.199622 TDE= -0.132278 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 5.20158609426296 eV TrLogG= -13.5049293409170 eV Ratio to renormalize= 0.999999999886 rho-rho_expected= 0.000000001830 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 46) Finished k-point number 47 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 90) Finished k-point number 91 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 88) Finished k-point number 89 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 62) Finished k-point number 63 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 99) Finished k-point number 100 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 77) Finished k-point number 78 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930787154605983 0.927334857619578 7) Finished k-point number 8 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 21) Finished k-point number 22 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 37) Finished k-point number 38 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0532909341992 Density= 16.0242238029377 16.0000000000000 EF 12.7811771020857 Density= 15.4145077300177 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95939927 0.93939927 0.242238E-01 -0.585492 1 0.95860468 0.93939927 0.317406E-02 -0.585492 2 0.95848551 0.95860468 -0.104965E-05 0.317406E-02 3 0.95848555 0.95848551 0.804970E-09 -0.104965E-05 4 0.95848555 0.95848555 -0.186144E-08 0.804970E-09 5 0.95848555 0.95848555 -0.186144E-08 0.804970E-09 Absolute convergence of the X interval. Difference in EF= -0.0124318353 EF set to : 13.0408590989 new EF (no-mixing): 13.0408590989 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001203 tlogG= -0.001250 logG= -0.002453 Density= 0.018988 ETOT(band)= 0.001283 trlgG= -0.001603 logG= -0.002453 TDE= -0.017350 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009600 tlogG= -0.009537 logG= -0.019136 Density= 0.151800 ETOT(band)= 0.010522 trlgG= -0.012087 logG= -0.019136 TDE= -0.138449 logGD-logG0= -0.002398 tlogG= -0.002405 logG= -0.004803 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 Density= 0.037926 ETOT(band)= 0.002662 trlgG= -0.003013 logG= -0.004803 TDE= -0.034561 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004796 tlogG= -0.004620 logG= -0.009416 Density= 0.075875 ETOT(band)= 0.005342 trlgG= -0.005812 logG= -0.009416 TDE= -0.069121 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002403 tlogG= -0.002081 logG= -0.004484 Density= 0.037496 ETOT(band)= 0.002716 trlgG= -0.002683 logG= -0.004484 TDE= -0.034139 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001569 tlogG= -0.001325 logG= -0.002895 Density= 0.022788 ETOT(band)= -0.000104 trlgG= -0.003472 logG= -0.002895 TDE= -0.022419 logGD-logG0= -0.009650 tlogG= -0.006702 logG= -0.016352 Density= 0.143696 ETOT(band)= 0.005133 trlgG= -0.014609 logG= -0.016352 TDE= -0.135988 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004816 tlogG= -0.004199 logG= -0.009015 logGD-logG0= -0.009627 tlogG= -0.008071 logG= -0.017698 Density= 0.150722 ETOT(band)= 0.010962 trlgG= -0.010322 logG= -0.017698 TDE= -0.137089 Density= 0.075551 ETOT(band)= 0.005393 trlgG= -0.005423 logG= -0.009015 TDE= -0.068823 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009631 tlogG= -0.008678 logG= -0.018308 Density= 0.150919 ETOT(band)= 0.011039 trlgG= -0.010874 logG= -0.018308 TDE= -0.137220 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009642 tlogG= -0.008810 logG= -0.018452 Density= 0.151345 ETOT(band)= 0.011009 trlgG= -0.011007 logG= -0.018452 TDE= -0.137617 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009601 tlogG= -0.007813 logG= -0.017414 Density= 0.150121 ETOT(band)= 0.011411 trlgG= -0.009551 logG= -0.017414 TDE= -0.136026 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019252 tlogG= -0.015922 logG= -0.035174 Density= 0.301586 ETOT(band)= 0.021834 trlgG= -0.020516 logG= -0.035174 TDE= -0.274408 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019229 tlogG= -0.014802 logG= -0.034031 Density= 0.299621 ETOT(band)= 0.021946 trlgG= -0.019055 logG= -0.034031 TDE= -0.272206 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009640 tlogG= -0.006651 logG= -0.016291 Density= 0.147443 ETOT(band)= 0.008922 trlgG= -0.010838 logG= -0.016291 TDE= -0.135869 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004795 tlogG= -0.003573 logG= -0.008368 Density= 0.074857 ETOT(band)= 0.005234 trlgG= -0.004852 logG= -0.008368 TDE= -0.068233 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003132 tlogG= -0.002544 logG= -0.005676 Density= 0.045404 ETOT(band)= -0.000205 trlgG= -0.006867 logG= -0.005676 TDE= -0.044711 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003086 tlogG= -0.002618 logG= -0.005704 Density= 0.045890 ETOT(band)= 0.000693 trlgG= -0.005844 logG= -0.005704 TDE= -0.044126 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009401 tlogG= -0.007420 logG= -0.016820 Density= 0.136689 ETOT(band)= -0.000243 trlgG= -0.020076 logG= -0.016820 TDE= -0.134270 logGD-logG0= -0.009409 tlogG= -0.007507 logG= -0.016916 Density= 0.136815 ETOT(band)= -0.000302 trlgG= -0.020216 logG= -0.016916 TDE= -0.134435 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003114 tlogG= -0.002570 logG= -0.005684 Density= 0.045628 ETOT(band)= 0.000194 trlgG= -0.006402 logG= -0.005684 TDE= -0.044451 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009385 tlogG= -0.007345 logG= -0.016731 Density= 0.136728 ETOT(band)= 0.000141 trlgG= -0.019569 logG= -0.016731 TDE= -0.133890 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009329 tlogG= -0.007410 logG= -0.016739 logGD-logG0= -0.009418 tlogG= -0.006702 logG= -0.016120 Density= 0.137367 ETOT(band)= 0.001416 trlgG= -0.018052 logG= -0.016739 TDE= -0.132978 Density= 0.137929 ETOT(band)= 0.001077 trlgG= -0.018167 logG= -0.016120 TDE= -0.134250 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009644 tlogG= -0.007576 logG= -0.017220 Density= 0.149158 ETOT(band)= 0.011274 trlgG= -0.009470 logG= -0.017220 TDE= -0.135216 logGD-logG0= -0.009676 tlogG= -0.006552 logG= -0.016227 Density= 0.142357 ETOT(band)= 0.004498 trlgG= -0.015000 logG= -0.016227 TDE= -0.135220 logGD-logG0= -0.009706 tlogG= -0.007164 logG= -0.016869 Density= 0.147786 ETOT(band)= 0.009629 trlgG= -0.010740 logG= -0.016869 TDE= -0.135521 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009512 tlogG= -0.006397 logG= -0.015910 Density= 0.140215 ETOT(band)= 0.003624 trlgG= -0.015292 logG= -0.015910 TDE= -0.133776 logGD-logG0= -0.009389 tlogG= -0.006571 logG= -0.015961 Density= 0.137698 ETOT(band)= 0.001340 trlgG= -0.017683 logG= -0.015961 TDE= -0.133704 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009426 tlogG= -0.006668 logG= -0.016094 Density= 0.137870 ETOT(band)= 0.001097 trlgG= -0.018153 logG= -0.016094 TDE= -0.134205 logGD-logG0= -0.009473 tlogG= -0.005985 logG= -0.015458 Density= 0.138058 ETOT(band)= 0.001321 trlgG= -0.017256 logG= -0.015458 TDE= -0.134124 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009360 tlogG= -0.006861 logG= -0.016221 logGD-logG0= -0.004754 tlogG= -0.003124 logG= -0.007878 Density= 0.139009 ETOT(band)= 0.003255 trlgG= -0.015695 logG= -0.016221 TDE= -0.132712 Density= 0.067630 ETOT(band)= -0.001040 trlgG= -0.010455 logG= -0.007878 TDE= -0.067399 logGD-logG0= -0.009414 tlogG= -0.006886 logG= -0.016300 Density= 0.138470 ETOT(band)= 0.001993 trlgG= -0.017209 logG= -0.016300 TDE= -0.133631 logGD-logG0= -0.009364 tlogG= -0.007376 logG= -0.016741 logGD-logG0= -0.009452 tlogG= -0.005662 logG= -0.015114 Density= 0.136948 ETOT(band)= 0.000538 trlgG= -0.019095 logG= -0.016741 TDE= -0.133617 Density= 0.136911 ETOT(band)= 0.000709 trlgG= -0.017517 logG= -0.015114 TDE= -0.133631 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009498 tlogG= -0.005684 logG= -0.015181 Density= 0.133907 ETOT(band)= -0.002637 trlgG= -0.020841 logG= -0.015181 TDE= -0.134008 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004767 tlogG= -0.002599 logG= -0.007366 Density= 0.065385 ETOT(band)= -0.002521 trlgG= -0.011267 logG= -0.007366 TDE= -0.066572 logGD-logG0= -0.009490 tlogG= -0.006183 logG= -0.015672 Density= 0.138608 ETOT(band)= 0.001842 trlgG= -0.016877 logG= -0.015672 TDE= -0.134058 logGD-logG0= -0.009410 tlogG= -0.006902 logG= -0.016312 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137548 ETOT(band)= 0.000627 trlgG= -0.018819 logG= -0.016312 TDE= -0.134345 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009580 tlogG= -0.006607 logG= -0.016187 Density= 0.143462 ETOT(band)= 0.007054 trlgG= -0.012235 logG= -0.016187 TDE= -0.133554 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009517 tlogG= -0.006068 logG= -0.015585 Density= 0.135866 ETOT(band)= -0.001136 trlgG= -0.019810 logG= -0.015585 TDE= -0.134450 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019401 tlogG= -0.012855 logG= -0.032255 Density= 0.284833 ETOT(band)= 0.008605 trlgG= -0.030303 logG= -0.032255 TDE= -0.271056 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018809 tlogG= -0.013806 logG= -0.032615 Density= 0.275250 ETOT(band)= 0.001868 trlgG= -0.036881 logG= -0.032615 TDE= -0.268090 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018935 tlogG= -0.012196 logG= -0.031131 Density= 0.278257 ETOT(band)= 0.004697 trlgG= -0.032816 logG= -0.031131 TDE= -0.268391 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019021 tlogG= -0.010948 logG= -0.029969 Density= 0.271476 ETOT(band)= -0.001386 trlgG= -0.037514 logG= -0.029969 TDE= -0.267751 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019116 tlogG= -0.010269 logG= -0.029385 Density= 0.263872 ETOT(band)= -0.007888 trlgG= -0.043092 logG= -0.029385 TDE= -0.266625 logGD-logG0= -0.009723 tlogG= -0.006557 logG= -0.016280 Density= 0.142933 ETOT(band)= 0.004531 trlgG= -0.015124 logG= -0.016280 TDE= -0.135844 logGD-logG0= -0.018917 tlogG= -0.012048 logG= -0.030965 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.277949 ETOT(band)= 0.004687 trlgG= -0.032615 logG= -0.030965 TDE= -0.268060 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019041 tlogG= -0.011549 logG= -0.030590 Density= 0.275278 ETOT(band)= 0.001747 trlgG= -0.034987 logG= -0.030590 TDE= -0.268247 logGD-logG0= -0.019132 tlogG= -0.010539 logG= -0.029670 Density= 0.278065 ETOT(band)= 0.005238 trlgG= -0.030655 logG= -0.029670 TDE= -0.267506 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018850 tlogG= -0.012427 logG= -0.031277 Density= 0.278846 ETOT(band)= 0.007034 trlgG= -0.030109 logG= -0.031277 TDE= -0.266102 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019168 tlogG= -0.012142 logG= -0.031310 Density= 0.281263 ETOT(band)= 0.007347 trlgG= -0.030344 logG= -0.031310 TDE= -0.268621 logGD-logG0= -0.018917 tlogG= -0.012347 logG= -0.031264 Density= 0.278042 ETOT(band)= 0.005075 trlgG= -0.032366 logG= -0.031264 TDE= -0.267601 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009523 tlogG= -0.005511 logG= -0.015034 logGD-logG0= -0.000385 tlogG= 0.008615 logG= 0.008230 Density= 0.005720 ETOT(band)= 0.000079 trlgG= 0.008199 logG= 0.008230 TDE= -0.005514 Density= 0.133190 ETOT(band)= -0.003308 trlgG= -0.021301 logG= -0.015034 TDE= -0.133927 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018742 tlogG= -0.013849 logG= -0.032590 Density= 0.275863 ETOT(band)= 0.003647 trlgG= -0.034679 logG= -0.032590 TDE= -0.266499 logGD-logG0= -0.019057 tlogG= -0.011788 logG= -0.030845 Density= 0.270285 ETOT(band)= -0.003759 trlgG= -0.040794 logG= -0.030845 TDE= -0.269013 logGD-logG0= -0.009599 tlogG= -0.004928 logG= -0.014527 Density= 0.130735 ETOT(band)= -0.005121 trlgG= -0.022496 logG= -0.014527 TDE= -0.133276 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018843 tlogG= -0.011726 logG= -0.030569 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.276574 ETOT(band)= 0.004634 trlgG= -0.032073 logG= -0.030569 TDE= -0.266595 logGD-logG0= -0.019455 tlogG= -0.012811 logG= -0.032267 Density= 0.289650 ETOT(band)= 0.015556 trlgG= -0.023229 logG= -0.032267 TDE= -0.268588 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019268 tlogG= -0.012002 logG= -0.031270 Density= 0.280030 ETOT(band)= 0.004850 trlgG= -0.032899 logG= -0.031270 TDE= -0.270033 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019069 tlogG= -0.010613 logG= -0.029682 Density= 0.274480 ETOT(band)= 0.002658 trlgG= -0.033043 logG= -0.029682 TDE= -0.266446 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009744 tlogG= -0.006005 logG= -0.015749 Density= 0.144006 ETOT(band)= 0.006742 trlgG= -0.012258 logG= -0.015749 TDE= -0.134537 logGD-logG0= -0.009592 tlogG= -0.005240 logG= -0.014832 Density= 0.139962 ETOT(band)= 0.003247 trlgG= -0.014755 logG= -0.014832 TDE= -0.134074 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019207 tlogG= -0.011233 logG= -0.030440 Density= 0.278037 ETOT(band)= 0.004248 trlgG= -0.032483 logG= -0.030440 TDE= -0.268538 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019155 tlogG= -0.010184 logG= -0.029339 Density= 0.266952 ETOT(band)= -0.005688 trlgG= -0.040910 logG= -0.029339 TDE= -0.267441 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009550 tlogG= -0.005320 logG= -0.014870 Density= 0.136910 ETOT(band)= 0.000230 trlgG= -0.017593 logG= -0.014870 TDE= -0.133949 logGD-logG0= -0.019107 tlogG= -0.010706 logG= -0.029813 Density= 0.272318 ETOT(band)= -0.001151 trlgG= -0.036967 logG= -0.029813 TDE= -0.268168 logGD-logG0= -0.004773 tlogG= -0.002675 logG= -0.007448 Density= 0.068632 ETOT(band)= 0.000231 trlgG= -0.008743 logG= -0.007448 TDE= -0.067077 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009531 tlogG= -0.005185 logG= -0.014716 Density= 0.136459 ETOT(band)= -0.000099 trlgG= -0.017677 logG= -0.014716 TDE= -0.133754 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009539 tlogG= -0.005544 logG= -0.015083 Density= 0.135909 ETOT(band)= -0.000935 trlgG= -0.018954 logG= -0.015083 TDE= -0.134138 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002425 tlogG= -0.001875 logG= -0.004300 Density= 0.036998 ETOT(band)= 0.002724 trlgG= -0.002417 logG= -0.004300 TDE= -0.033579 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002323 tlogG= -0.002356 logG= -0.004679 Density= 0.034886 ETOT(band)= 0.001022 trlgG= -0.004340 logG= -0.004679 TDE= -0.033099 logGD-logG0= -0.009286 tlogG= -0.008860 logG= -0.018146 Density= 0.139449 ETOT(band)= 0.004018 trlgG= -0.016738 logG= -0.018146 TDE= -0.132251 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009383 tlogG= -0.007454 logG= -0.016837 Density= 0.137604 ETOT(band)= 0.001969 trlgG= -0.017558 logG= -0.016837 TDE= -0.132612 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009351 tlogG= -0.008472 logG= -0.017823 logGD-logG0= -0.009338 tlogG= -0.007799 logG= -0.017136 Density= 0.140868 ETOT(band)= 0.005364 trlgG= -0.015214 logG= -0.017823 TDE= -0.132411 Density= 0.138594 ETOT(band)= 0.003210 trlgG= -0.016472 logG= -0.017136 TDE= -0.132176 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009635 tlogG= -0.007213 logG= -0.016849 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.144876 ETOT(band)= 0.008704 trlgG= -0.011154 logG= -0.016849 TDE= -0.133168 logGD-logG0= -0.002371 tlogG= -0.001979 logG= -0.004350 Density= 0.035802 ETOT(band)= 0.001843 trlgG= -0.003217 logG= -0.004350 TDE= -0.033183 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009403 tlogG= -0.007366 logG= -0.016769 Density= 0.140974 ETOT(band)= 0.005537 trlgG= -0.014037 logG= -0.016769 TDE= -0.132390 logGD-logG0= -0.009319 tlogG= -0.008025 logG= -0.017344 Density= 0.138859 ETOT(band)= 0.003589 trlgG= -0.016354 logG= -0.017344 TDE= -0.132105 logGD-logG0= -0.004661 tlogG= -0.004042 logG= -0.008703 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.069946 ETOT(band)= 0.002307 trlgG= -0.007727 logG= -0.008703 TDE= -0.066066 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009392 tlogG= -0.006929 logG= -0.016321 Density= 0.139358 ETOT(band)= 0.004241 trlgG= -0.014787 logG= -0.016321 TDE= -0.132039 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009555 tlogG= -0.005371 logG= -0.014926 Density= 0.133865 ETOT(band)= -0.001495 trlgG= -0.019371 logG= -0.014926 TDE= -0.132753 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018683 tlogG= -0.015845 logG= -0.034527 Density= 0.280411 ETOT(band)= 0.009719 trlgG= -0.030152 logG= -0.034527 TDE= -0.264395 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004752 tlogG= -0.002845 logG= -0.007597 Density= 0.068463 ETOT(band)= 0.001000 trlgG= -0.008042 logG= -0.007597 TDE= -0.066065 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009441 tlogG= -0.006402 logG= -0.015843 logGD-logG0= -0.019021 tlogG= -0.013310 logG= -0.032331 Density= 0.137481 ETOT(band)= 0.002043 trlgG= -0.016788 logG= -0.015843 TDE= -0.132718 Density= 0.284610 ETOT(band)= 0.013256 trlgG= -0.025056 logG= -0.032331 TDE= -0.265520 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009285 tlogG= -0.009089 logG= -0.018374 Density= 0.139643 ETOT(band)= 0.004209 trlgG= -0.016844 logG= -0.018374 TDE= -0.132316 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009586 tlogG= -0.005067 logG= -0.014653 Density= 0.130541 ETOT(band)= -0.004599 trlgG= -0.022075 logG= -0.014653 TDE= -0.132544 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009753 tlogG= -0.006747 logG= -0.016500 Density= 0.145838 ETOT(band)= 0.009242 trlgG= -0.010584 logG= -0.016500 TDE= -0.133868 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009447 tlogG= -0.007565 logG= -0.017012 Density= 0.142460 ETOT(band)= 0.006835 trlgG= -0.012997 logG= -0.017012 TDE= -0.132531 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009614 tlogG= -0.005730 logG= -0.015345 Density= 0.141420 ETOT(band)= 0.005681 trlgG= -0.012826 logG= -0.015345 TDE= -0.133030 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018792 tlogG= -0.014068 logG= -0.032860 Density= 0.277579 ETOT(band)= 0.006877 trlgG= -0.031310 logG= -0.032860 TDE= -0.264506 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018961 tlogG= -0.011782 logG= -0.030743 Density= 0.277042 ETOT(band)= 0.006611 trlgG= -0.030042 logG= -0.030743 TDE= -0.264841 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009426 tlogG= -0.006705 logG= -0.016131 Density= 0.140801 ETOT(band)= 0.005615 trlgG= -0.013424 logG= -0.016131 TDE= -0.132249 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003096 tlogG= 0.069336 logG= 0.066241 Density= 0.046221 ETOT(band)= 0.001072 trlgG= 0.066438 logG= 0.066241 TDE= -0.044105 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003085 tlogG= 0.069051 logG= 0.065965 Density= 0.045876 ETOT(band)= 0.000756 trlgG= 0.065823 logG= 0.065965 TDE= -0.044113 logGD-logG0= -0.003115 tlogG= 0.069735 logG= 0.066619 Density= 0.046289 ETOT(band)= 0.001169 trlgG= 0.066928 logG= 0.066619 TDE= -0.044058 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002314 tlogG= 0.051808 logG= 0.049493 Density= 0.034469 ETOT(band)= 0.000616 trlgG= 0.049442 logG= 0.049493 TDE= -0.033089 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004632 tlogG= 0.103832 logG= 0.099199 Density= 0.069176 ETOT(band)= 0.001459 trlgG= 0.099333 logG= 0.099199 TDE= -0.066170 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009319 tlogG= 0.208730 logG= 0.199411 Density= 0.139127 ETOT(band)= 0.003766 trlgG= 0.200501 logG= 0.199411 TDE= -0.132262 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009282 tlogG= 0.208028 logG= 0.198746 Density= 0.138634 ETOT(band)= 0.003248 trlgG= 0.199286 logG= 0.198746 TDE= -0.132339 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 5.01727394280130 eV TrLogG= -13.6814006535051 eV Ratio to renormalize= 0.999999999845 rho-rho_expected= 0.000000002480 nargs= 1 argi=dmft2.def 15) Finished k-point number 16 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 23) Finished k-point number 24 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 40) Finished k-point number 41 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 93) Finished k-point number 94 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 49) Finished k-point number 50 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 57) Finished k-point number 58 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 98) Finished k-point number 99 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 69) Finished k-point number 70 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 67) Finished k-point number 68 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 20 72) Finished k-point number 73 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 76) Finished k-point number 77 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930711879738119 0.927321342643687 6) Finished k-point number 7 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 10) Finished k-point number 11 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 29) Finished k-point number 30 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 8) Finished k-point number 9 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 26) Finished k-point number 27 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 34) Finished k-point number 35 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 45) Finished k-point number 46 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 67) Finished k-point number 68 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0408590988851 Density= 15.9967483897007 16.0000000000000 EF 13.3129729309987 Density= 16.4899650012266 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97848555 0.95848555 0.489965 -0.325161E-02 1 0.96848555 0.95848557 0.251430 -0.325161E-02 2 0.96348556 0.95848532 0.126663 -0.325161E-02 3 0.96098544 0.95848545 0.625446E-01 -0.325161E-02 4 0.95973544 0.95848538 0.298866E-01 -0.325161E-02 5 0.95911041 0.95848518 0.133796E-01 -0.325161E-02 6 0.95879779 0.95848528 0.507555E-02 -0.325161E-02 7 0.95864154 0.95848547 0.912545E-03 -0.325161E-02 8 0.95860733 0.95848547 0.127694E-06 -0.325161E-02 9 0.95860733 0.95860733 -0.193090E-10 0.127694E-06 Absolute convergence of |F(X)|. Difference in EF= 0.0016568499 EF set to : 13.0425159488 new EF (no-mixing): 13.0425159488 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001203 tlogG= -0.001250 logG= -0.002453 Density= 0.018986 ETOT(band)= 0.001284 trlgG= -0.001603 logG= -0.002453 TDE= -0.017350 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009600 tlogG= -0.009538 logG= -0.019138 Density= 0.151791 ETOT(band)= 0.010529 trlgG= -0.012084 logG= -0.019138 TDE= -0.138453 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002398 tlogG= -0.002405 logG= -0.004804 Density= 0.037924 ETOT(band)= 0.002663 trlgG= -0.003012 logG= -0.004804 TDE= -0.034562 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004796 tlogG= -0.004621 logG= -0.009417 Density= 0.075870 ETOT(band)= 0.005345 trlgG= -0.005810 logG= -0.009417 TDE= -0.069123 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002403 tlogG= -0.002081 logG= -0.004484 Density= 0.037493 ETOT(band)= 0.002717 trlgG= -0.002683 logG= -0.004484 TDE= -0.034140 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009650 tlogG= -0.006702 logG= -0.016353 Density= 0.143707 ETOT(band)= 0.005159 trlgG= -0.014586 logG= -0.016353 TDE= -0.135992 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009631 tlogG= -0.008679 logG= -0.018310 logGD-logG0= -0.009627 tlogG= -0.008072 logG= -0.017700 Density= 0.150909 ETOT(band)= 0.011045 trlgG= -0.010871 logG= -0.018310 TDE= -0.137224 Density= 0.150711 ETOT(band)= 0.010967 trlgG= -0.010320 logG= -0.017700 TDE= -0.137093 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004816 tlogG= -0.004199 logG= -0.009015 Density= 0.075546 ETOT(band)= 0.005396 trlgG= -0.005422 logG= -0.009015 TDE= -0.068826 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001569 tlogG= -0.001324 logG= -0.002894 Density= 0.022787 ETOT(band)= -0.000102 trlgG= -0.003470 logG= -0.002894 TDE= -0.022420 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009642 tlogG= -0.008811 logG= -0.018453 Density= 0.151335 ETOT(band)= 0.011015 trlgG= -0.011004 logG= -0.018453 TDE= -0.137622 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009601 tlogG= -0.007813 logG= -0.017415 Density= 0.150110 ETOT(band)= 0.011416 trlgG= -0.009548 logG= -0.017415 TDE= -0.136030 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019230 tlogG= -0.014804 logG= -0.034034 Density= 0.299601 ETOT(band)= 0.021959 trlgG= -0.019048 logG= -0.034034 TDE= -0.272214 logGD-logG0= -0.019253 tlogG= -0.015921 logG= -0.035174 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.301565 ETOT(band)= 0.021846 trlgG= -0.020508 logG= -0.035174 TDE= -0.274416 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009640 tlogG= -0.006652 logG= -0.016292 Density= 0.147438 ETOT(band)= 0.008933 trlgG= -0.010830 logG= -0.016292 TDE= -0.135873 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004795 tlogG= -0.003574 logG= -0.008369 Density= 0.074853 ETOT(band)= 0.005239 trlgG= -0.004850 logG= -0.008369 TDE= -0.068235 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003132 tlogG= -0.002544 logG= -0.005676 Density= 0.045402 ETOT(band)= -0.000202 trlgG= -0.006864 logG= -0.005676 TDE= -0.044711 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003086 tlogG= -0.002618 logG= -0.005704 Density= 0.045889 ETOT(band)= 0.000697 trlgG= -0.005841 logG= -0.005704 TDE= -0.044126 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003114 tlogG= -0.002569 logG= -0.005683 Density= 0.045626 ETOT(band)= 0.000198 trlgG= -0.006397 logG= -0.005683 TDE= -0.044452 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009409 tlogG= -0.007506 logG= -0.016915 Density= 0.136809 ETOT(band)= -0.000291 trlgG= -0.020206 logG= -0.016915 TDE= -0.134437 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009400 tlogG= -0.007418 logG= -0.016817 Density= 0.136683 ETOT(band)= -0.000233 trlgG= -0.020064 logG= -0.016817 TDE= -0.134272 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009386 tlogG= -0.007345 logG= -0.016730 Density= 0.136723 ETOT(band)= 0.000153 trlgG= -0.019559 logG= -0.016730 TDE= -0.133892 logGD-logG0= -0.009329 tlogG= -0.007409 logG= -0.016738 Density= 0.137363 ETOT(band)= 0.001429 trlgG= -0.018040 logG= -0.016738 TDE= -0.132980 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009706 tlogG= -0.007165 logG= -0.016871 Density= 0.147781 ETOT(band)= 0.009640 trlgG= -0.010732 logG= -0.016871 TDE= -0.135525 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009418 tlogG= -0.006704 logG= -0.016122 Density= 0.137926 ETOT(band)= 0.001089 trlgG= -0.018158 logG= -0.016122 TDE= -0.134252 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009645 tlogG= -0.007577 logG= -0.017222 Density= 0.149150 ETOT(band)= 0.011283 trlgG= -0.009465 logG= -0.017222 TDE= -0.135220 logGD-logG0= -0.009677 tlogG= -0.006552 logG= -0.016229 Density= 0.142367 ETOT(band)= 0.004523 trlgG= -0.014979 logG= -0.016229 TDE= -0.135224 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009513 tlogG= -0.006400 logG= -0.015912 Density= 0.140219 ETOT(band)= 0.003643 trlgG= -0.015277 logG= -0.015912 TDE= -0.133779 logGD-logG0= -0.009390 tlogG= -0.006572 logG= -0.015963 Density= 0.137694 ETOT(band)= 0.001353 trlgG= -0.017675 logG= -0.015963 TDE= -0.133706 logGD-logG0= -0.009427 tlogG= -0.006670 logG= -0.016097 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137867 ETOT(band)= 0.001111 trlgG= -0.018144 logG= -0.016097 TDE= -0.134208 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009498 tlogG= -0.005681 logG= -0.015179 logGD-logG0= -0.009414 tlogG= -0.006886 logG= -0.016300 Density= 0.133899 ETOT(band)= -0.002629 trlgG= -0.020832 logG= -0.015179 TDE= -0.134010 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138468 ETOT(band)= 0.002007 trlgG= -0.017197 logG= -0.016300 TDE= -0.133634 logGD-logG0= -0.009361 tlogG= -0.006859 logG= -0.016219 Density= 0.139008 ETOT(band)= 0.003271 trlgG= -0.015680 logG= -0.016219 TDE= -0.132715 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004754 tlogG= -0.003125 logG= -0.007879 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.067627 ETOT(band)= -0.001035 trlgG= -0.010452 logG= -0.007879 TDE= -0.067400 logGD-logG0= -0.009473 tlogG= -0.005983 logG= -0.015456 Density= 0.138056 ETOT(band)= 0.001335 trlgG= -0.017242 logG= -0.015456 TDE= -0.134127 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009365 tlogG= -0.007373 logG= -0.016738 Density= 0.136942 ETOT(band)= 0.000549 trlgG= -0.019083 logG= -0.016738 TDE= -0.133619 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009580 tlogG= -0.006607 logG= -0.016187 Density= 0.143465 ETOT(band)= 0.007072 trlgG= -0.012218 logG= -0.016187 TDE= -0.133557 logGD-logG0= -0.004766 tlogG= -0.002597 logG= -0.007363 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.065385 ETOT(band)= -0.002514 trlgG= -0.011257 logG= -0.007363 TDE= -0.066573 logGD-logG0= -0.009453 tlogG= -0.005662 logG= -0.015114 Density= 0.136911 ETOT(band)= 0.000724 trlgG= -0.017504 logG= -0.015114 TDE= -0.133634 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009517 tlogG= -0.006069 logG= -0.015586 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.135863 ETOT(band)= -0.001123 trlgG= -0.019799 logG= -0.015586 TDE= -0.134452 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009411 tlogG= -0.006901 logG= -0.016312 Density= 0.137543 ETOT(band)= 0.000640 trlgG= -0.018809 logG= -0.016312 TDE= -0.134347 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009490 tlogG= -0.006183 logG= -0.015673 Density= 0.138608 ETOT(band)= 0.001858 trlgG= -0.016863 logG= -0.015673 TDE= -0.134061 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019021 tlogG= -0.010947 logG= -0.029968 Density= 0.271479 ETOT(band)= -0.001352 trlgG= -0.037482 logG= -0.029968 TDE= -0.267756 logGD-logG0= -0.009724 tlogG= -0.006557 logG= -0.016281 logGD-logG0= -0.019402 tlogG= -0.012851 logG= -0.032253 Density= 0.284860 ETOT(band)= 0.008660 trlgG= -0.030248 logG= -0.032253 TDE= -0.271063 Density= 0.142948 ETOT(band)= 0.004560 trlgG= -0.015098 logG= -0.016281 TDE= -0.135848 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018936 tlogG= -0.012199 logG= -0.031135 Density= 0.278258 ETOT(band)= 0.004730 trlgG= -0.032791 logG= -0.031135 TDE= -0.268397 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019040 tlogG= -0.011548 logG= -0.030588 Density= 0.275284 ETOT(band)= 0.001783 trlgG= -0.034952 logG= -0.030588 TDE= -0.268253 logGD-logG0= -0.019116 tlogG= -0.010268 logG= -0.029384 Density= 0.263885 ETOT(band)= -0.007845 trlgG= -0.043052 logG= -0.029384 TDE= -0.266630 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018809 tlogG= -0.013804 logG= -0.032613 Density= 0.275242 ETOT(band)= 0.001892 trlgG= -0.036859 logG= -0.032613 TDE= -0.268095 logGD-logG0= -0.019169 tlogG= -0.012142 logG= -0.031311 logGD-logG0= -0.018916 tlogG= -0.012048 logG= -0.030964 Density= 0.277947 ETOT(band)= 0.004717 trlgG= -0.032588 logG= -0.030964 TDE= -0.268066 Density= 0.281278 ETOT(band)= 0.007392 trlgG= -0.030304 logG= -0.031311 TDE= -0.268627 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018918 tlogG= -0.012348 logG= -0.031267 Density= 0.278040 ETOT(band)= 0.005105 trlgG= -0.032343 logG= -0.031267 TDE= -0.267607 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018849 tlogG= -0.012428 logG= -0.031277 Density= 0.278846 ETOT(band)= 0.007065 trlgG= -0.030081 logG= -0.031277 TDE= -0.266108 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019133 tlogG= -0.010534 logG= -0.029666 Density= 0.278075 ETOT(band)= 0.005279 trlgG= -0.030613 logG= -0.029666 TDE= -0.267512 logGD-logG0= -0.009598 tlogG= -0.004924 logG= -0.014522 Density= 0.130748 ETOT(band)= -0.005094 trlgG= -0.022465 logG= -0.014522 TDE= -0.133279 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018742 tlogG= -0.013844 logG= -0.032586 Density= 0.275860 ETOT(band)= 0.003677 trlgG= -0.034648 logG= -0.032586 TDE= -0.266504 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019456 tlogG= -0.012814 logG= -0.032270 logGD-logG0= -0.009591 tlogG= -0.005237 logG= -0.014828 Density= 0.289663 ETOT(band)= 0.015599 trlgG= -0.023192 logG= -0.032270 TDE= -0.268595 Density= 0.139965 ETOT(band)= 0.003265 trlgG= -0.014734 logG= -0.014828 TDE= -0.134077 logGD-logG0= -0.019269 tlogG= -0.012002 logG= -0.031272 Density= 0.280045 ETOT(band)= 0.004894 trlgG= -0.032859 logG= -0.031272 TDE= -0.270040 logGD-logG0= -0.018844 tlogG= -0.011724 logG= -0.030568 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.276573 ETOT(band)= 0.004666 trlgG= -0.032044 logG= -0.030568 TDE= -0.266600 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019058 tlogG= -0.011787 logG= -0.030846 Density= 0.270280 ETOT(band)= -0.003732 trlgG= -0.040771 logG= -0.030846 TDE= -0.269018 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019207 tlogG= -0.011231 logG= -0.030438 Density= 0.278053 ETOT(band)= 0.004293 trlgG= -0.032439 logG= -0.030438 TDE= -0.268544 logGD-logG0= -0.019069 tlogG= -0.010614 logG= -0.029683 Density= 0.274520 ETOT(band)= 0.002726 trlgG= -0.032979 logG= -0.029683 TDE= -0.266453 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019107 tlogG= -0.010701 logG= -0.029808 Density= 0.272315 ETOT(band)= -0.001124 trlgG= -0.036939 logG= -0.029808 TDE= -0.268173 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009744 tlogG= -0.006006 logG= -0.015750 Density= 0.144011 ETOT(band)= 0.006762 trlgG= -0.012241 logG= -0.015750 TDE= -0.134540 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019156 tlogG= -0.010185 logG= -0.029340 Density= 0.266978 ETOT(band)= -0.005632 trlgG= -0.040859 logG= -0.029340 TDE= -0.267446 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009523 tlogG= -0.005509 logG= -0.015032 Density= 0.133185 ETOT(band)= -0.003298 trlgG= -0.021289 logG= -0.015032 TDE= -0.133929 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000385 tlogG= 0.008617 logG= 0.008231 Density= 0.005720 ETOT(band)= 0.000080 trlgG= 0.008200 logG= 0.008231 TDE= -0.005514 logGD-logG0= -0.009550 tlogG= -0.005320 logG= -0.014870 Density= 0.136912 ETOT(band)= 0.000248 trlgG= -0.017577 logG= -0.014870 TDE= -0.133952 logGD-logG0= -0.009531 tlogG= -0.005184 logG= -0.014716 logGD-logG0= -0.004773 tlogG= -0.002675 logG= -0.007448 Density= 0.068632 ETOT(band)= 0.000238 trlgG= -0.008736 logG= -0.007448 TDE= -0.067079 Density= 0.136459 ETOT(band)= -0.000083 trlgG= -0.017662 logG= -0.014716 TDE= -0.133757 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.009539 tlogG= -0.005542 logG= -0.015081 Density= 0.135909 ETOT(band)= -0.000920 trlgG= -0.018938 logG= -0.015081 TDE= -0.134140 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002425 tlogG= -0.001875 logG= -0.004300 Density= 0.036996 ETOT(band)= 0.002726 trlgG= -0.002415 logG= -0.004300 TDE= -0.033580 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002323 tlogG= -0.002356 logG= -0.004679 Density= 0.034885 ETOT(band)= 0.001026 trlgG= -0.004337 logG= -0.004679 TDE= -0.033099 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009286 tlogG= -0.008860 logG= -0.018147 Density= 0.139446 ETOT(band)= 0.004032 trlgG= -0.016726 logG= -0.018147 TDE= -0.132254 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009337 tlogG= -0.007797 logG= -0.017134 Density= 0.138591 ETOT(band)= 0.003224 trlgG= -0.016458 logG= -0.017134 TDE= -0.132178 logGD-logG0= -0.009384 tlogG= -0.007455 logG= -0.016838 Density= 0.137599 ETOT(band)= 0.001981 trlgG= -0.017549 logG= -0.016838 TDE= -0.132614 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009403 tlogG= -0.007366 logG= -0.016768 Density= 0.140975 ETOT(band)= 0.005555 trlgG= -0.014021 logG= -0.016768 TDE= -0.132392 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009635 tlogG= -0.007214 logG= -0.016849 logGD-logG0= -0.009351 tlogG= -0.008473 logG= -0.017824 Density= 0.144878 ETOT(band)= 0.008722 trlgG= -0.011138 logG= -0.016849 TDE= -0.133171 Density= 0.140867 ETOT(band)= 0.005380 trlgG= -0.015201 logG= -0.017824 TDE= -0.132414 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002371 tlogG= -0.001979 logG= -0.004350 Density= 0.035802 ETOT(band)= 0.001848 trlgG= -0.003213 logG= -0.004350 TDE= -0.033183 logGD-logG0= -0.004661 tlogG= -0.004043 logG= -0.008703 Density= 0.069946 ETOT(band)= 0.002315 trlgG= -0.007721 logG= -0.008703 TDE= -0.066067 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009319 tlogG= -0.008023 logG= -0.017342 Density= 0.138856 ETOT(band)= 0.003602 trlgG= -0.016340 logG= -0.017342 TDE= -0.132107 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009390 tlogG= -0.006927 logG= -0.016318 logGD-logG0= -0.018682 tlogG= -0.015844 logG= -0.034526 Density= 0.139358 ETOT(band)= 0.004256 trlgG= -0.014769 logG= -0.016318 TDE= -0.132041 logGD-logG0= -0.009555 tlogG= -0.005370 logG= -0.014925 Density= 0.280409 ETOT(band)= 0.009750 trlgG= -0.030124 logG= -0.034526 TDE= -0.264399 Density= 0.133869 ETOT(band)= -0.001477 trlgG= -0.019353 logG= -0.014925 TDE= -0.132755 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004753 tlogG= -0.002846 logG= -0.007599 Density= 0.068462 ETOT(band)= 0.001008 trlgG= -0.008038 logG= -0.007599 TDE= -0.066067 logGD-logG0= -0.009441 tlogG= -0.006399 logG= -0.015840 Density= 0.137475 ETOT(band)= 0.002053 trlgG= -0.016776 logG= -0.015840 TDE= -0.132721 logGD-logG0= -0.009753 tlogG= -0.006748 logG= -0.016501 logGD-logG0= -0.019021 tlogG= -0.013310 logG= -0.032332 Density= 0.284616 ETOT(band)= 0.013293 trlgG= -0.025022 logG= -0.032332 TDE= -0.265526 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.145837 ETOT(band)= 0.009256 trlgG= -0.010572 logG= -0.016501 TDE= -0.133871 logGD-logG0= -0.009587 tlogG= -0.005064 logG= -0.014650 Density= 0.130555 ETOT(band)= -0.004570 trlgG= -0.022046 logG= -0.014650 TDE= -0.132546 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009285 tlogG= -0.009089 logG= -0.018374 Density= 0.139640 ETOT(band)= 0.004223 trlgG= -0.016832 logG= -0.018374 TDE= -0.132318 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009447 tlogG= -0.007565 logG= -0.017012 Density= 0.142462 ETOT(band)= 0.006853 trlgG= -0.012982 logG= -0.017012 TDE= -0.132534 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018959 tlogG= -0.011778 logG= -0.030737 Density= 0.277030 ETOT(band)= 0.006628 trlgG= -0.030019 logG= -0.030737 TDE= -0.264846 logGD-logG0= -0.009615 tlogG= -0.005730 logG= -0.015345 Density= 0.141428 ETOT(band)= 0.005705 trlgG= -0.012804 logG= -0.015345 TDE= -0.133033 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018794 tlogG= -0.014067 logG= -0.032860 Density= 0.277574 ETOT(band)= 0.006907 trlgG= -0.031286 logG= -0.032860 TDE= -0.264510 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009427 tlogG= -0.006706 logG= -0.016133 Density= 0.140802 ETOT(band)= 0.005632 trlgG= -0.013411 logG= -0.016133 TDE= -0.132252 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003115 tlogG= 0.069744 logG= 0.066629 Density= 0.046287 ETOT(band)= 0.001173 trlgG= 0.066942 logG= 0.066629 TDE= -0.044059 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003085 tlogG= 0.069060 logG= 0.065975 Density= 0.045874 ETOT(band)= 0.000760 trlgG= 0.065836 logG= 0.065975 TDE= -0.044114 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003096 tlogG= 0.069346 logG= 0.066250 Density= 0.046220 ETOT(band)= 0.001077 trlgG= 0.066451 logG= 0.066250 TDE= -0.044106 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002314 tlogG= 0.051815 logG= 0.049500 Density= 0.034467 ETOT(band)= 0.000619 trlgG= 0.049452 logG= 0.049500 TDE= -0.033089 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009282 tlogG= 0.208056 logG= 0.198774 Density= 0.138630 ETOT(band)= 0.003261 trlgG= 0.199325 logG= 0.198774 TDE= -0.132341 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004632 tlogG= 0.103846 logG= 0.099214 Density= 0.069174 ETOT(band)= 0.001465 trlgG= 0.099353 logG= 0.099214 TDE= -0.066171 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009319 tlogG= 0.208757 logG= 0.199438 Density= 0.139124 ETOT(band)= 0.003780 trlgG= 0.200539 logG= 0.199438 TDE= -0.132264 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 5.04183745972606 eV TrLogG= -13.6576881133601 eV Ratio to renormalize= 0.999999999730 rho-rho_expected= 0.000000004324 nargs= 1 argi=dmft2.def 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 32) Finished k-point number 33 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 91) Finished k-point number 92 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 89) Finished k-point number 90 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 95) Finished k-point number 96 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 103) Finished k-point number 104 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 56) Finished k-point number 57 1 with #bands= 18 49) Finished k-point number 50 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 77) Finished k-point number 78 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930725700883036 0.927266133981038 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 16) Finished k-point number 17 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 17) Finished k-point number 18 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0425159488269 Density= 15.9954003803365 16.0000000000000 EF 13.3146297809405 Density= 16.4890482525851 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97860733 0.95860733 0.489048 -0.459962E-02 1 0.96860733 0.95860735 0.250374 -0.459962E-02 2 0.96360734 0.95860757 0.125494 -0.459962E-02 3 0.96110746 0.95860722 0.613003E-01 -0.459962E-02 4 0.95985734 0.95860740 0.285925E-01 -0.459962E-02 5 0.95923237 0.95860755 0.120621E-01 -0.459962E-02 6 0.95891996 0.95860723 0.375086E-02 -0.459962E-02 7 0.95877931 0.95891996 -0.181059E-05 0.375086E-02 8 0.95877937 0.95877931 0.164127E-08 -0.181059E-05 9 0.95877937 0.95877937 -0.102920E-08 0.164127E-08 10 0.95877937 0.95877937 0.164127E-08 -0.102920E-08 11 0.95877937 0.95877937 0.164127E-08 -0.102920E-08 Absolute convergence of the X interval. Difference in EF= 0.0023408250 EF set to : 13.0448567738 new EF (no-mixing): 13.0448567738 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001203 tlogG= -0.001250 logG= -0.002453 Density= 0.018985 ETOT(band)= 0.001285 trlgG= -0.001602 logG= -0.002453 TDE= -0.017351 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002398 tlogG= -0.002405 logG= -0.004804 Density= 0.037920 ETOT(band)= 0.002665 trlgG= -0.003011 logG= -0.004804 TDE= -0.034564 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009601 tlogG= -0.009538 logG= -0.019139 Density= 0.151776 ETOT(band)= 0.010537 trlgG= -0.012079 logG= -0.019139 TDE= -0.138460 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004796 tlogG= -0.004621 logG= -0.009417 Density= 0.075863 ETOT(band)= 0.005349 trlgG= -0.005808 logG= -0.009417 TDE= -0.069126 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002403 tlogG= -0.002082 logG= -0.004485 Density= 0.037488 ETOT(band)= 0.002717 trlgG= -0.002684 logG= -0.004485 TDE= -0.034142 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009632 tlogG= -0.008679 logG= -0.018310 Density= 0.150891 ETOT(band)= 0.011050 trlgG= -0.010870 logG= -0.018310 TDE= -0.137230 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001570 tlogG= -0.001325 logG= -0.002894 Density= 0.022785 ETOT(band)= -0.000100 trlgG= -0.003468 logG= -0.002894 TDE= -0.022420 logGD-logG0= -0.009650 tlogG= -0.006702 logG= -0.016353 Density= 0.143725 ETOT(band)= 0.005197 trlgG= -0.014550 logG= -0.016353 TDE= -0.135998 logGD-logG0= -0.009628 tlogG= -0.008072 logG= -0.017700 Density= 0.150694 ETOT(band)= 0.010973 trlgG= -0.010318 logG= -0.017700 TDE= -0.137100 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004816 tlogG= -0.004199 logG= -0.009016 Density= 0.075538 ETOT(band)= 0.005399 trlgG= -0.005421 logG= -0.009016 TDE= -0.068829 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009643 tlogG= -0.008812 logG= -0.018454 Density= 0.151319 ETOT(band)= 0.011022 trlgG= -0.011001 logG= -0.018454 TDE= -0.137629 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009602 tlogG= -0.007814 logG= -0.017416 Density= 0.150092 ETOT(band)= 0.011422 trlgG= -0.009547 logG= -0.017416 TDE= -0.136036 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019254 tlogG= -0.015922 logG= -0.035176 Density= 0.301532 ETOT(band)= 0.021858 trlgG= -0.020504 logG= -0.035176 TDE= -0.274429 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019231 tlogG= -0.014804 logG= -0.034036 Density= 0.299573 ETOT(band)= 0.021976 trlgG= -0.019038 logG= -0.034036 TDE= -0.272227 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004795 tlogG= -0.003574 logG= -0.008369 Density= 0.074847 ETOT(band)= 0.005244 trlgG= -0.004846 logG= -0.008369 TDE= -0.068238 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009641 tlogG= -0.006653 logG= -0.016293 Density= 0.147429 ETOT(band)= 0.008947 trlgG= -0.010820 logG= -0.016293 TDE= -0.135879 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003132 tlogG= -0.002542 logG= -0.005674 Density= 0.045399 ETOT(band)= -0.000197 trlgG= -0.006859 logG= -0.005674 TDE= -0.044712 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003086 tlogG= -0.002618 logG= -0.005704 Density= 0.045886 ETOT(band)= 0.000702 trlgG= -0.005836 logG= -0.005704 TDE= -0.044127 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003114 tlogG= -0.002569 logG= -0.005683 Density= 0.045623 ETOT(band)= 0.000203 trlgG= -0.006393 logG= -0.005683 TDE= -0.044452 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009408 tlogG= -0.007505 logG= -0.016913 Density= 0.136801 ETOT(band)= -0.000276 trlgG= -0.020191 logG= -0.016913 TDE= -0.134441 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009401 tlogG= -0.007418 logG= -0.016819 Density= 0.136675 ETOT(band)= -0.000218 trlgG= -0.020053 logG= -0.016819 TDE= -0.134276 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009386 tlogG= -0.007343 logG= -0.016729 Density= 0.136713 ETOT(band)= 0.000167 trlgG= -0.019546 logG= -0.016729 TDE= -0.133895 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009329 tlogG= -0.007407 logG= -0.016736 Density= 0.137355 ETOT(band)= 0.001445 trlgG= -0.018025 logG= -0.016736 TDE= -0.132983 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009677 tlogG= -0.006551 logG= -0.016228 Density= 0.142379 ETOT(band)= 0.004556 trlgG= -0.014947 logG= -0.016228 TDE= -0.135229 logGD-logG0= -0.009645 tlogG= -0.007577 logG= -0.017222 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.149134 ETOT(band)= 0.011290 trlgG= -0.009461 logG= -0.017222 TDE= -0.135226 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009707 tlogG= -0.007166 logG= -0.016873 Density= 0.147771 ETOT(band)= 0.009652 trlgG= -0.010724 logG= -0.016873 TDE= -0.135531 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009513 tlogG= -0.006397 logG= -0.015910 Density= 0.140223 ETOT(band)= 0.003669 trlgG= -0.015251 logG= -0.015910 TDE= -0.133784 logGD-logG0= -0.004754 tlogG= -0.003123 logG= -0.007877 Density= 0.067622 ETOT(band)= -0.001029 trlgG= -0.010444 logG= -0.007877 TDE= -0.067402 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009473 tlogG= -0.005984 logG= -0.015456 Density= 0.138058 ETOT(band)= 0.001359 trlgG= -0.017221 logG= -0.015456 TDE= -0.134131 logGD-logG0= -0.009410 tlogG= -0.006899 logG= -0.016309 Density= 0.137537 ETOT(band)= 0.000655 trlgG= -0.018793 logG= -0.016309 TDE= -0.134351 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009360 tlogG= -0.006859 logG= -0.016219 Density= 0.139006 ETOT(band)= 0.003291 trlgG= -0.015662 logG= -0.016219 TDE= -0.132719 logGD-logG0= -0.009452 tlogG= -0.005660 logG= -0.015112 Density= 0.136908 ETOT(band)= 0.000744 trlgG= -0.017485 logG= -0.015112 TDE= -0.133638 logGD-logG0= -0.009498 tlogG= -0.005681 logG= -0.015179 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.133883 ETOT(band)= -0.002622 trlgG= -0.020828 logG= -0.015179 TDE= -0.134013 logGD-logG0= -0.009581 tlogG= -0.006606 logG= -0.016187 Density= 0.143470 ETOT(band)= 0.007099 trlgG= -0.012193 logG= -0.016187 TDE= -0.133562 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009418 tlogG= -0.006702 logG= -0.016120 Density= 0.137920 ETOT(band)= 0.001106 trlgG= -0.018141 logG= -0.016120 TDE= -0.134256 logGD-logG0= -0.009391 tlogG= -0.006571 logG= -0.015962 Density= 0.137688 ETOT(band)= 0.001370 trlgG= -0.017660 logG= -0.015962 TDE= -0.133710 logGD-logG0= -0.004766 tlogG= -0.002599 logG= -0.007365 Density= 0.065398 ETOT(band)= -0.002489 trlgG= -0.011237 logG= -0.007365 TDE= -0.066574 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009517 tlogG= -0.006067 logG= -0.015584 Density= 0.135857 ETOT(band)= -0.001107 trlgG= -0.019783 logG= -0.015584 TDE= -0.134456 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009490 tlogG= -0.006181 logG= -0.015672 Density= 0.138610 ETOT(band)= 0.001882 trlgG= -0.016841 logG= -0.015672 TDE= -0.134065 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009365 tlogG= -0.007376 logG= -0.016741 Density= 0.136934 ETOT(band)= 0.000565 trlgG= -0.019074 logG= -0.016741 TDE= -0.133622 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019022 tlogG= -0.010944 logG= -0.029966 Density= 0.271479 ETOT(band)= -0.001308 trlgG= -0.037441 logG= -0.029966 TDE= -0.267765 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009426 tlogG= -0.006667 logG= -0.016093 Density= 0.137862 ETOT(band)= 0.001128 trlgG= -0.018126 logG= -0.016093 TDE= -0.134212 logGD-logG0= -0.019404 tlogG= -0.012850 logG= -0.032254 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.284893 ETOT(band)= 0.008735 trlgG= -0.030179 logG= -0.032254 TDE= -0.271074 logGD-logG0= -0.009725 tlogG= -0.006557 logG= -0.016281 Density= 0.142973 ETOT(band)= 0.004606 trlgG= -0.015055 logG= -0.016281 TDE= -0.135854 logGD-logG0= -0.009415 tlogG= -0.006885 logG= -0.016300 Density= 0.138464 ETOT(band)= 0.002027 trlgG= -0.017181 logG= -0.016300 TDE= -0.133637 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018811 tlogG= -0.013796 logG= -0.032606 Density= 0.275233 ETOT(band)= 0.001930 trlgG= -0.036821 logG= -0.032606 TDE= -0.268103 logGD-logG0= -0.018918 tlogG= -0.012048 logG= -0.030966 Density= 0.277947 ETOT(band)= 0.004762 trlgG= -0.032550 logG= -0.030966 TDE= -0.268075 logGD-logG0= -0.019170 tlogG= -0.012142 logG= -0.031313 Density= 0.281296 ETOT(band)= 0.007452 trlgG= -0.030249 logG= -0.031313 TDE= -0.268637 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018919 tlogG= -0.012344 logG= -0.031263 Density= 0.278039 ETOT(band)= 0.005149 trlgG= -0.032300 logG= -0.031263 TDE= -0.267616 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019115 tlogG= -0.010267 logG= -0.029382 Density= 0.263911 ETOT(band)= -0.007778 trlgG= -0.042988 logG= -0.029382 TDE= -0.266638 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018850 tlogG= -0.012427 logG= -0.031277 Density= 0.278847 ETOT(band)= 0.007110 trlgG= -0.030042 logG= -0.031277 TDE= -0.266117 logGD-logG0= -0.019041 tlogG= -0.011543 logG= -0.030584 Density= 0.275293 ETOT(band)= 0.001836 trlgG= -0.034901 logG= -0.030584 TDE= -0.268263 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009524 tlogG= -0.005511 logG= -0.015035 Density= 0.133189 ETOT(band)= -0.003271 trlgG= -0.021268 logG= -0.015035 TDE= -0.133932 logGD-logG0= -0.018937 tlogG= -0.012194 logG= -0.031131 Density= 0.278260 ETOT(band)= 0.004776 trlgG= -0.032747 logG= -0.031131 TDE= -0.268406 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019456 tlogG= -0.012815 logG= -0.032271 Density= 0.289661 ETOT(band)= 0.015640 trlgG= -0.023156 logG= -0.032271 TDE= -0.268605 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019132 tlogG= -0.010534 logG= -0.029666 Density= 0.278098 ETOT(band)= 0.005344 trlgG= -0.030552 logG= -0.029666 TDE= -0.267521 logGD-logG0= -0.018742 tlogG= -0.013841 logG= -0.032583 Density= 0.275848 ETOT(band)= 0.003711 trlgG= -0.034617 logG= -0.032583 TDE= -0.266511 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000385 tlogG= 0.008618 logG= 0.008233 logGD-logG0= -0.019271 tlogG= -0.012001 logG= -0.031272 Density= 0.280067 ETOT(band)= 0.004959 trlgG= -0.032800 logG= -0.031272 TDE= -0.270051 Density= 0.005719 ETOT(band)= 0.000080 trlgG= 0.008202 logG= 0.008233 TDE= -0.005514 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.018842 tlogG= -0.011722 logG= -0.030564 Density= 0.276564 ETOT(band)= 0.004700 trlgG= -0.032009 logG= -0.030564 TDE= -0.266608 logGD-logG0= -0.009592 tlogG= -0.005237 logG= -0.014829 logGD-logG0= -0.009599 tlogG= -0.004921 logG= -0.014520 Density= 0.139979 ETOT(band)= 0.003300 trlgG= -0.014702 logG= -0.014829 TDE= -0.134082 Density= 0.130776 ETOT(band)= -0.005047 trlgG= -0.022419 logG= -0.014520 TDE= -0.133283 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019060 tlogG= -0.011787 logG= -0.030847 Density= 0.270267 ETOT(band)= -0.003699 trlgG= -0.040745 logG= -0.030847 TDE= -0.269025 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019208 tlogG= -0.011229 logG= -0.030436 Density= 0.278076 ETOT(band)= 0.004358 trlgG= -0.032377 logG= -0.030436 TDE= -0.268554 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009744 tlogG= -0.006006 logG= -0.015751 Density= 0.144017 ETOT(band)= 0.006790 trlgG= -0.012215 logG= -0.015751 TDE= -0.134546 logGD-logG0= -0.019070 tlogG= -0.010612 logG= -0.029682 Density= 0.274525 ETOT(band)= 0.002773 trlgG= -0.032936 logG= -0.029682 TDE= -0.266462 logGD-logG0= -0.019107 tlogG= -0.010705 logG= -0.029812 logGD-logG0= -0.019154 tlogG= -0.010183 logG= -0.029337 Density= 0.272340 ETOT(band)= -0.001056 trlgG= -0.036880 logG= -0.029812 TDE= -0.268182 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.267034 ETOT(band)= -0.005535 trlgG= -0.040765 logG= -0.029337 TDE= -0.267454 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009540 tlogG= -0.005542 logG= -0.015083 Density= 0.135902 ETOT(band)= -0.000903 trlgG= -0.018926 logG= -0.015083 TDE= -0.134143 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004773 tlogG= -0.002674 logG= -0.007447 Density= 0.068631 ETOT(band)= 0.000248 trlgG= -0.008726 logG= -0.007447 TDE= -0.067081 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009531 tlogG= -0.005182 logG= -0.014713 Density= 0.136457 ETOT(band)= -0.000063 trlgG= -0.017641 logG= -0.014713 TDE= -0.133760 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009550 tlogG= -0.005319 logG= -0.014869 Density= 0.136915 ETOT(band)= 0.000273 trlgG= -0.017553 logG= -0.014869 TDE= -0.133956 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002425 tlogG= -0.001875 logG= -0.004300 Density= 0.036994 ETOT(band)= 0.002730 trlgG= -0.002413 logG= -0.004300 TDE= -0.033582 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009286 tlogG= -0.008859 logG= -0.018145 Density= 0.139443 ETOT(band)= 0.004052 trlgG= -0.016707 logG= -0.018145 TDE= -0.132257 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009338 tlogG= -0.007796 logG= -0.017134 Density= 0.138586 ETOT(band)= 0.003243 trlgG= -0.016441 logG= -0.017134 TDE= -0.132181 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002371 tlogG= -0.001979 logG= -0.004350 Density= 0.035803 ETOT(band)= 0.001854 trlgG= -0.003208 logG= -0.004350 TDE= -0.033184 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009383 tlogG= -0.007453 logG= -0.016836 Density= 0.137593 ETOT(band)= 0.001998 trlgG= -0.017532 logG= -0.016836 TDE= -0.132617 logGD-logG0= -0.009403 tlogG= -0.007366 logG= -0.016769 Density= 0.140976 ETOT(band)= 0.005579 trlgG= -0.014000 logG= -0.016769 TDE= -0.132397 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009636 tlogG= -0.007214 logG= -0.016850 Density= 0.144881 ETOT(band)= 0.008747 trlgG= -0.011117 logG= -0.016850 TDE= -0.133176 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009319 tlogG= -0.008023 logG= -0.017342 Density= 0.138852 ETOT(band)= 0.003621 trlgG= -0.016324 logG= -0.017342 TDE= -0.132110 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009351 tlogG= -0.008472 logG= -0.017823 logGD-logG0= -0.009391 tlogG= -0.006924 logG= -0.016315 Density= 0.139357 ETOT(band)= 0.004278 trlgG= -0.014747 logG= -0.016315 TDE= -0.132045 Density= 0.140867 ETOT(band)= 0.005402 trlgG= -0.015180 logG= -0.017823 TDE= -0.132418 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002323 tlogG= -0.002356 logG= -0.004679 Density= 0.034884 ETOT(band)= 0.001031 trlgG= -0.004333 logG= -0.004679 TDE= -0.033100 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004661 tlogG= -0.004042 logG= -0.008704 Density= 0.069944 ETOT(band)= 0.002326 trlgG= -0.007712 logG= -0.008704 TDE= -0.066069 logGD-logG0= -0.009555 tlogG= -0.005370 logG= -0.014925 Density= 0.133885 ETOT(band)= -0.001438 trlgG= -0.019317 logG= -0.014925 TDE= -0.132759 logGD-logG0= -0.009442 tlogG= -0.006399 logG= -0.015841 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.137467 ETOT(band)= 0.002069 trlgG= -0.016764 logG= -0.015841 TDE= -0.132724 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004753 tlogG= -0.002845 logG= -0.007598 Density= 0.068460 ETOT(band)= 0.001017 trlgG= -0.008028 logG= -0.007598 TDE= -0.066069 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009753 tlogG= -0.006748 logG= -0.016502 Density= 0.145834 ETOT(band)= 0.009276 trlgG= -0.010555 logG= -0.016502 TDE= -0.133876 logGD-logG0= -0.009285 tlogG= -0.009088 logG= -0.018373 Density= 0.139637 ETOT(band)= 0.004243 trlgG= -0.016813 logG= -0.018373 TDE= -0.132321 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019022 tlogG= -0.013310 logG= -0.032332 Density= 0.284627 ETOT(band)= 0.013347 trlgG= -0.024973 logG= -0.032332 TDE= -0.265535 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018683 tlogG= -0.015843 logG= -0.034525 Density= 0.280406 ETOT(band)= 0.009793 trlgG= -0.030085 logG= -0.034525 TDE= -0.264407 logGD-logG0= -0.009587 tlogG= -0.005062 logG= -0.014649 Density= 0.130573 ETOT(band)= -0.004532 trlgG= -0.022008 logG= -0.014649 TDE= -0.132550 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009447 tlogG= -0.007565 logG= -0.017012 Density= 0.142465 ETOT(band)= 0.006878 trlgG= -0.012958 logG= -0.017012 TDE= -0.132539 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009615 tlogG= -0.005730 logG= -0.015345 Density= 0.141440 ETOT(band)= 0.005738 trlgG= -0.012773 logG= -0.015345 TDE= -0.133038 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018794 tlogG= -0.014064 logG= -0.032858 Density= 0.277567 ETOT(band)= 0.006945 trlgG= -0.031250 logG= -0.032858 TDE= -0.264517 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018962 tlogG= -0.011777 logG= -0.030738 Density= 0.277034 ETOT(band)= 0.006679 trlgG= -0.029978 logG= -0.030738 TDE= -0.264854 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009427 tlogG= -0.006704 logG= -0.016130 Density= 0.140803 ETOT(band)= 0.005655 trlgG= -0.013387 logG= -0.016130 TDE= -0.132256 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003085 tlogG= 0.069074 logG= 0.065989 Density= 0.045872 ETOT(band)= 0.000765 trlgG= 0.065855 logG= 0.065989 TDE= -0.044115 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003115 tlogG= 0.069758 logG= 0.066642 Density= 0.046286 ETOT(band)= 0.001180 trlgG= 0.066960 logG= 0.066642 TDE= -0.044060 logGD-logG0= -0.003096 tlogG= 0.069359 logG= 0.066263 Density= 0.046218 ETOT(band)= 0.001083 trlgG= 0.066469 logG= 0.066263 TDE= -0.044106 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002314 tlogG= 0.051825 logG= 0.049510 Density= 0.034466 ETOT(band)= 0.000623 trlgG= 0.049466 logG= 0.049510 TDE= -0.033090 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009282 tlogG= 0.208097 logG= 0.198815 Density= 0.138625 ETOT(band)= 0.003279 trlgG= 0.199382 logG= 0.198815 TDE= -0.132344 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009319 tlogG= 0.208798 logG= 0.199479 Density= 0.139120 ETOT(band)= 0.003799 trlgG= 0.200597 logG= 0.199479 TDE= -0.132267 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004633 tlogG= 0.103866 logG= 0.099233 Density= 0.069170 ETOT(band)= 0.001475 trlgG= 0.099380 logG= 0.099233 TDE= -0.066173 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 5.07655279625209 eV TrLogG= -13.6244273249411 eV Ratio to renormalize= 0.999999999626 rho-rho_expected= 0.000000005986 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 25) Finished k-point number 26 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 32) Finished k-point number 33 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 92) Finished k-point number 93 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 96) Finished k-point number 97 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 78) Finished k-point number 79 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 73) Finished k-point number 74 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 49) Finished k-point number 50 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 60) Finished k-point number 61 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 57) Finished k-point number 58 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930772482073404 0.927355264754376 56) Finished k-point number 57 1 with #bands= 18 7) Finished k-point number 8 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 36) Finished k-point number 37 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 46) Finished k-point number 47 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 32) Finished k-point number 33 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 45) Finished k-point number 46 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 90) Finished k-point number 91 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0448567738399 Density= 16.0040374983124 16.0000000000000 EF 12.7727429417263 Density= 15.3876467778456 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95877937 0.93877937 0.403750E-02 -0.612353 1 0.95864837 0.93877937 0.545988E-03 -0.612353 2 0.95862790 0.95864837 -0.449509E-07 0.545988E-03 3 0.95862790 0.95862790 0.593303E-11 -0.449509E-07 Absolute convergence of |F(X)|. Difference in EF= -0.0020608612 EF set to : 13.0427959126 new EF (no-mixing): 13.0427959126 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001203 tlogG= -0.001250 logG= -0.002453 Density= 0.018986 ETOT(band)= 0.001284 trlgG= -0.001603 logG= -0.002453 TDE= -0.017351 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009600 tlogG= -0.009538 logG= -0.019138 Density= 0.151789 ETOT(band)= 0.010530 trlgG= -0.012083 logG= -0.019138 TDE= -0.138454 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002398 tlogG= -0.002405 logG= -0.004804 Density= 0.037923 ETOT(band)= 0.002664 trlgG= -0.003012 logG= -0.004804 TDE= -0.034562 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004796 tlogG= -0.004621 logG= -0.009417 Density= 0.075869 ETOT(band)= 0.005345 trlgG= -0.005810 logG= -0.009417 TDE= -0.069123 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002403 tlogG= -0.002081 logG= -0.004484 Density= 0.037492 ETOT(band)= 0.002717 trlgG= -0.002683 logG= -0.004484 TDE= -0.034140 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001569 tlogG= -0.001325 logG= -0.002894 Density= 0.022787 ETOT(band)= -0.000102 trlgG= -0.003470 logG= -0.002894 TDE= -0.022420 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009650 tlogG= -0.006702 logG= -0.016353 Density= 0.143711 ETOT(band)= 0.005164 trlgG= -0.014580 logG= -0.016353 TDE= -0.135993 logGD-logG0= -0.009627 tlogG= -0.008073 logG= -0.017700 Density= 0.150709 ETOT(band)= 0.010968 trlgG= -0.010321 logG= -0.017700 TDE= -0.137094 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004816 tlogG= -0.004200 logG= -0.009016 Density= 0.075546 ETOT(band)= 0.005397 trlgG= -0.005421 logG= -0.009016 TDE= -0.068826 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009631 tlogG= -0.008679 logG= -0.018310 Density= 0.150906 ETOT(band)= 0.011045 trlgG= -0.010872 logG= -0.018310 TDE= -0.137225 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009642 tlogG= -0.008811 logG= -0.018453 Density= 0.151333 ETOT(band)= 0.011016 trlgG= -0.011004 logG= -0.018453 TDE= -0.137623 logGD-logG0= -0.009601 tlogG= -0.007814 logG= -0.017415 Density= 0.150108 ETOT(band)= 0.011417 trlgG= -0.009548 logG= -0.017415 TDE= -0.136031 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019253 tlogG= -0.015919 logG= -0.035172 Density= 0.301562 ETOT(band)= 0.021848 trlgG= -0.020505 logG= -0.035172 TDE= -0.274418 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019230 tlogG= -0.014803 logG= -0.034033 Density= 0.299595 ETOT(band)= 0.021957 trlgG= -0.019049 logG= -0.034033 TDE= -0.272216 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009640 tlogG= -0.006652 logG= -0.016292 Density= 0.147437 ETOT(band)= 0.008935 trlgG= -0.010829 logG= -0.016292 TDE= -0.135874 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004795 tlogG= -0.003574 logG= -0.008369 Density= 0.074852 ETOT(band)= 0.005239 trlgG= -0.004849 logG= -0.008369 TDE= -0.068236 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003132 tlogG= -0.002544 logG= -0.005676 Density= 0.045402 ETOT(band)= -0.000201 trlgG= -0.006864 logG= -0.005676 TDE= -0.044712 logGD-logG0= -0.003086 tlogG= -0.002618 logG= -0.005704 Density= 0.045889 ETOT(band)= 0.000697 trlgG= -0.005840 logG= -0.005704 TDE= -0.044126 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009409 tlogG= -0.007506 logG= -0.016915 Density= 0.136809 ETOT(band)= -0.000289 trlgG= -0.020204 logG= -0.016915 TDE= -0.134438 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003114 tlogG= -0.002570 logG= -0.005684 Density= 0.045626 ETOT(band)= 0.000198 trlgG= -0.006398 logG= -0.005684 TDE= -0.044452 logGD-logG0= -0.009400 tlogG= -0.007419 logG= -0.016820 Density= 0.136683 ETOT(band)= -0.000230 trlgG= -0.020065 logG= -0.016820 TDE= -0.134273 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009329 tlogG= -0.007406 logG= -0.016735 Density= 0.137362 ETOT(band)= 0.001431 trlgG= -0.018036 logG= -0.016735 TDE= -0.132980 logGD-logG0= -0.009385 tlogG= -0.007343 logG= -0.016728 Density= 0.136722 ETOT(band)= 0.000155 trlgG= -0.019555 logG= -0.016728 TDE= -0.133893 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009418 tlogG= -0.006704 logG= -0.016122 Density= 0.137924 ETOT(band)= 0.001090 trlgG= -0.018157 logG= -0.016122 TDE= -0.134253 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009645 tlogG= -0.007577 logG= -0.017222 Density= 0.149149 ETOT(band)= 0.011284 trlgG= -0.009464 logG= -0.017222 TDE= -0.135221 logGD-logG0= -0.009391 tlogG= -0.006572 logG= -0.015963 Density= 0.137693 ETOT(band)= 0.001355 trlgG= -0.017673 logG= -0.015963 TDE= -0.133707 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009676 tlogG= -0.006552 logG= -0.016229 logGD-logG0= -0.009706 tlogG= -0.007165 logG= -0.016871 Density= 0.147785 ETOT(band)= 0.009646 trlgG= -0.010726 logG= -0.016871 TDE= -0.135526 Density= 0.142368 ETOT(band)= 0.004527 trlgG= -0.014975 logG= -0.016229 TDE= -0.135224 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004754 tlogG= -0.003126 logG= -0.007880 Density= 0.067628 ETOT(band)= -0.001032 trlgG= -0.010450 logG= -0.007880 TDE= -0.067401 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009513 tlogG= -0.006398 logG= -0.015912 Density= 0.140220 ETOT(band)= 0.003648 trlgG= -0.015272 logG= -0.015912 TDE= -0.133780 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009365 tlogG= -0.007376 logG= -0.016741 Density= 0.136942 ETOT(band)= 0.000551 trlgG= -0.019084 logG= -0.016741 TDE= -0.133619 logGD-logG0= -0.009414 tlogG= -0.006886 logG= -0.016300 logGD-logG0= -0.009361 tlogG= -0.006860 logG= -0.016221 Density= 0.139008 ETOT(band)= 0.003273 trlgG= -0.015680 logG= -0.016221 TDE= -0.132715 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138467 ETOT(band)= 0.002009 trlgG= -0.017196 logG= -0.016300 TDE= -0.133634 logGD-logG0= -0.009472 tlogG= -0.005982 logG= -0.015455 Density= 0.138057 ETOT(band)= 0.001339 trlgG= -0.017237 logG= -0.015455 TDE= -0.134128 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009581 tlogG= -0.006606 logG= -0.016187 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.143467 ETOT(band)= 0.007076 trlgG= -0.012214 logG= -0.016187 TDE= -0.133558 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009426 tlogG= -0.006669 logG= -0.016095 Density= 0.137868 ETOT(band)= 0.001114 trlgG= -0.018140 logG= -0.016095 TDE= -0.134209 logGD-logG0= -0.009453 tlogG= -0.005663 logG= -0.015117 Density= 0.136912 ETOT(band)= 0.000729 trlgG= -0.017503 logG= -0.015117 TDE= -0.133634 logGD-logG0= -0.004768 tlogG= -0.002601 logG= -0.007369 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009490 tlogG= -0.006183 logG= -0.015672 Density= 0.138609 ETOT(band)= 0.001862 trlgG= -0.016859 logG= -0.015672 TDE= -0.134062 Density= 0.065390 ETOT(band)= -0.002507 trlgG= -0.011258 logG= -0.007369 TDE= -0.066573 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009498 tlogG= -0.005682 logG= -0.015180 Density= 0.133898 ETOT(band)= -0.002627 trlgG= -0.020832 logG= -0.015180 TDE= -0.134010 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009411 tlogG= -0.006901 logG= -0.016312 Density= 0.137543 ETOT(band)= 0.000642 trlgG= -0.018807 logG= -0.016312 TDE= -0.134348 logGD-logG0= -0.009723 tlogG= -0.006557 logG= -0.016280 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.142950 ETOT(band)= 0.004565 trlgG= -0.015092 logG= -0.016280 TDE= -0.135849 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009517 tlogG= -0.006068 logG= -0.015585 Density= 0.135862 ETOT(band)= -0.001122 trlgG= -0.019797 logG= -0.015585 TDE= -0.134453 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019401 tlogG= -0.012853 logG= -0.032254 Density= 0.284854 ETOT(band)= 0.008659 trlgG= -0.030250 logG= -0.032254 TDE= -0.271065 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019020 tlogG= -0.010940 logG= -0.029961 Density= 0.271482 ETOT(band)= -0.001345 trlgG= -0.037468 logG= -0.029961 TDE= -0.267758 logGD-logG0= -0.019456 tlogG= -0.012814 logG= -0.032270 Density= 0.289666 ETOT(band)= 0.015607 trlgG= -0.023184 logG= -0.032270 TDE= -0.268596 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019115 tlogG= -0.010272 logG= -0.029387 Density= 0.263899 ETOT(band)= -0.007827 trlgG= -0.043037 logG= -0.029387 TDE= -0.266631 logGD-logG0= -0.018809 tlogG= -0.013800 logG= -0.032609 Density= 0.275241 ETOT(band)= 0.001896 trlgG= -0.036851 logG= -0.032609 TDE= -0.268096 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018918 tlogG= -0.012348 logG= -0.031266 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278043 ETOT(band)= 0.005112 trlgG= -0.032334 logG= -0.031266 TDE= -0.267608 logGD-logG0= -0.019040 tlogG= -0.011547 logG= -0.030587 Density= 0.275287 ETOT(band)= 0.001791 trlgG= -0.034944 logG= -0.030587 TDE= -0.268255 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019169 tlogG= -0.012142 logG= -0.031311 Density= 0.281280 ETOT(band)= 0.007398 trlgG= -0.030297 logG= -0.031311 TDE= -0.268629 logGD-logG0= -0.018917 tlogG= -0.012048 logG= -0.030965 Density= 0.277948 ETOT(band)= 0.004723 trlgG= -0.032584 logG= -0.030965 TDE= -0.268067 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018850 tlogG= -0.012427 logG= -0.031277 Density= 0.278845 ETOT(band)= 0.007069 trlgG= -0.030078 logG= -0.031277 TDE= -0.266110 logGD-logG0= -0.009522 tlogG= -0.005505 logG= -0.015028 Density= 0.133179 ETOT(band)= -0.003302 trlgG= -0.021288 logG= -0.015028 TDE= -0.133930 logGD-logG0= -0.000385 tlogG= 0.008617 logG= 0.008232 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.005720 ETOT(band)= 0.000080 trlgG= 0.008201 logG= 0.008232 TDE= -0.005514 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018936 tlogG= -0.012198 logG= -0.031134 Density= 0.278258 ETOT(band)= 0.004734 trlgG= -0.032786 logG= -0.031134 TDE= -0.268398 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019057 tlogG= -0.011784 logG= -0.030841 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.270274 ETOT(band)= -0.003733 trlgG= -0.040767 logG= -0.030841 TDE= -0.269019 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018742 tlogG= -0.013844 logG= -0.032587 logGD-logG0= -0.019132 tlogG= -0.010536 logG= -0.029669 Density= 0.275859 ETOT(band)= 0.003681 trlgG= -0.034646 logG= -0.032587 TDE= -0.266505 Density= 0.278055 ETOT(band)= 0.005264 trlgG= -0.030631 logG= -0.029669 TDE= -0.267513 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009596 tlogG= -0.004923 logG= -0.014520 Density= 0.130749 ETOT(band)= -0.005093 trlgG= -0.022460 logG= -0.014520 TDE= -0.133280 logGD-logG0= -0.018842 tlogG= -0.011727 logG= -0.030570 Density= 0.276572 ETOT(band)= 0.004668 trlgG= -0.032041 logG= -0.030570 TDE= -0.266602 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019069 tlogG= -0.010608 logG= -0.029677 Density= 0.274479 ETOT(band)= 0.002690 trlgG= -0.033008 logG= -0.029677 TDE= -0.266454 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009592 tlogG= -0.005236 logG= -0.014828 Density= 0.139969 ETOT(band)= 0.003272 trlgG= -0.014728 logG= -0.014828 TDE= -0.134078 logGD-logG0= -0.019107 tlogG= -0.010701 logG= -0.029808 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019207 tlogG= -0.011231 logG= -0.030438 Density= 0.278054 ETOT(band)= 0.004299 trlgG= -0.032433 logG= -0.030438 TDE= -0.268546 Density= 0.272324 ETOT(band)= -0.001110 trlgG= -0.036926 logG= -0.029808 TDE= -0.268175 logGD-logG0= -0.009744 tlogG= -0.006006 logG= -0.015750 Density= 0.144012 ETOT(band)= 0.006766 trlgG= -0.012238 logG= -0.015750 TDE= -0.134541 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019269 tlogG= -0.012001 logG= -0.031271 Density= 0.280046 ETOT(band)= 0.004900 trlgG= -0.032852 logG= -0.031271 TDE= -0.270042 logGD-logG0= -0.019156 tlogG= -0.010184 logG= -0.029339 Density= 0.266997 ETOT(band)= -0.005608 trlgG= -0.040836 logG= -0.029339 TDE= -0.267448 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009541 tlogG= -0.005545 logG= -0.015086 Density= 0.135904 ETOT(band)= -0.000920 trlgG= -0.018945 logG= -0.015086 TDE= -0.134140 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009550 tlogG= -0.005320 logG= -0.014870 Density= 0.136913 ETOT(band)= 0.000251 trlgG= -0.017574 logG= -0.014870 TDE= -0.133952 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004773 tlogG= -0.002675 logG= -0.007448 Density= 0.068632 ETOT(band)= 0.000239 trlgG= -0.008735 logG= -0.007448 TDE= -0.067079 logGD-logG0= -0.009532 tlogG= -0.005186 logG= -0.014718 Density= 0.136461 ETOT(band)= -0.000078 trlgG= -0.017660 logG= -0.014718 TDE= -0.133757 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002323 tlogG= -0.002356 logG= -0.004679 Density= 0.034885 ETOT(band)= 0.001026 trlgG= -0.004337 logG= -0.004679 TDE= -0.033099 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002425 tlogG= -0.001875 logG= -0.004300 Density= 0.036996 ETOT(band)= 0.002727 trlgG= -0.002415 logG= -0.004300 TDE= -0.033580 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009384 tlogG= -0.007454 logG= -0.016839 Density= 0.137597 ETOT(band)= 0.001982 trlgG= -0.017549 logG= -0.016839 TDE= -0.132615 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009351 tlogG= -0.008473 logG= -0.017824 Density= 0.140867 ETOT(band)= 0.005383 trlgG= -0.015199 logG= -0.017824 TDE= -0.132414 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009337 tlogG= -0.007797 logG= -0.017134 logGD-logG0= -0.009636 tlogG= -0.007213 logG= -0.016849 Density= 0.144880 ETOT(band)= 0.008726 trlgG= -0.011135 logG= -0.016849 TDE= -0.133172 Density= 0.138591 ETOT(band)= 0.003226 trlgG= -0.016455 logG= -0.017134 TDE= -0.132179 logGD-logG0= -0.009318 tlogG= -0.008023 logG= -0.017340 Density= 0.138856 ETOT(band)= 0.003604 trlgG= -0.016337 logG= -0.017340 TDE= -0.132107 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004661 tlogG= -0.004043 logG= -0.008704 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.069945 ETOT(band)= 0.002316 trlgG= -0.007720 logG= -0.008704 TDE= -0.066068 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009403 tlogG= -0.007366 logG= -0.016768 Density= 0.140975 ETOT(band)= 0.005557 trlgG= -0.014019 logG= -0.016768 TDE= -0.132393 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002371 tlogG= -0.001979 logG= -0.004350 Density= 0.035802 ETOT(band)= 0.001848 trlgG= -0.003213 logG= -0.004350 TDE= -0.033184 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009391 tlogG= -0.006928 logG= -0.016319 Density= 0.139357 ETOT(band)= 0.004258 trlgG= -0.014770 logG= -0.016319 TDE= -0.132042 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009441 tlogG= -0.006400 logG= -0.015841 Density= 0.137476 ETOT(band)= 0.002057 trlgG= -0.016774 logG= -0.015841 TDE= -0.132721 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009555 tlogG= -0.005369 logG= -0.014924 Density= 0.133871 ETOT(band)= -0.001471 trlgG= -0.019347 logG= -0.014924 TDE= -0.132756 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018682 tlogG= -0.015844 logG= -0.034527 Density= 0.280409 ETOT(band)= 0.009755 trlgG= -0.030120 logG= -0.034527 TDE= -0.264401 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004753 tlogG= -0.002846 logG= -0.007599 Density= 0.068468 ETOT(band)= 0.001015 trlgG= -0.008030 logG= -0.007599 TDE= -0.066067 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009285 tlogG= -0.009089 logG= -0.018374 Density= 0.139640 ETOT(band)= 0.004225 trlgG= -0.016830 logG= -0.018374 TDE= -0.132319 logGD-logG0= -0.019021 tlogG= -0.013310 logG= -0.032331 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.284618 ETOT(band)= 0.013300 trlgG= -0.025016 logG= -0.032331 TDE= -0.265527 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009286 tlogG= -0.008860 logG= -0.018147 Density= 0.139445 ETOT(band)= 0.004034 trlgG= -0.016724 logG= -0.018147 TDE= -0.132254 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009586 tlogG= -0.005061 logG= -0.014647 Density= 0.130552 ETOT(band)= -0.004571 trlgG= -0.022043 logG= -0.014647 TDE= -0.132547 logGD-logG0= -0.018794 tlogG= -0.014065 logG= -0.032859 logGD-logG0= -0.009753 tlogG= -0.006748 logG= -0.016501 Density= 0.145836 ETOT(band)= 0.009259 trlgG= -0.010570 logG= -0.016501 TDE= -0.133872 Density= 0.277574 ETOT(band)= 0.006912 trlgG= -0.031281 logG= -0.032859 TDE= -0.264511 logGD-logG0= -0.009447 tlogG= -0.007565 logG= -0.017012 Density= 0.142462 ETOT(band)= 0.006855 trlgG= -0.012979 logG= -0.017012 TDE= -0.132535 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018966 tlogG= -0.011788 logG= -0.030754 Density= 0.277054 ETOT(band)= 0.006663 trlgG= -0.030009 logG= -0.030754 TDE= -0.264847 logGD-logG0= -0.009615 tlogG= -0.005730 logG= -0.015345 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.141430 ETOT(band)= 0.005709 trlgG= -0.012801 logG= -0.015345 TDE= -0.133034 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009426 tlogG= -0.006704 logG= -0.016131 Density= 0.140802 ETOT(band)= 0.005634 trlgG= -0.013407 logG= -0.016131 TDE= -0.132252 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003096 tlogG= 0.069347 logG= 0.066251 Density= 0.046220 ETOT(band)= 0.001077 trlgG= 0.066453 logG= 0.066251 TDE= -0.044106 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003115 tlogG= 0.069746 logG= 0.066631 Density= 0.046287 ETOT(band)= 0.001174 trlgG= 0.066944 logG= 0.066631 TDE= -0.044059 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003085 tlogG= 0.069062 logG= 0.065977 Density= 0.045874 ETOT(band)= 0.000760 trlgG= 0.065838 logG= 0.065977 TDE= -0.044114 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002314 tlogG= 0.051816 logG= 0.049501 Density= 0.034467 ETOT(band)= 0.000619 trlgG= 0.049453 logG= 0.049501 TDE= -0.033089 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009282 tlogG= 0.208061 logG= 0.198779 Density= 0.138630 ETOT(band)= 0.003263 trlgG= 0.199332 logG= 0.198779 TDE= -0.132341 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009319 tlogG= 0.208762 logG= 0.199444 Density= 0.139124 ETOT(band)= 0.003781 trlgG= 0.200547 logG= 0.199444 TDE= -0.132264 logGD-logG0= -0.004632 tlogG= 0.103848 logG= 0.099216 Density= 0.069173 ETOT(band)= 0.001467 trlgG= 0.099356 logG= 0.099216 TDE= -0.066171 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 5.04577139807201 eV TrLogG= -13.6540402199791 eV Ratio to renormalize= 0.999999999728 rho-rho_expected= 0.000000004349 nargs= 1 argi=dmft2.def 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 35) Finished k-point number 36 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 85) Finished k-point number 86 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 92) Finished k-point number 93 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 100) Finished k-point number 101 1 with #bands= 20 103) Finished k-point number 104 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 55) Finished k-point number 56 1 with #bands= 20 75) Finished k-point number 76 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 71) Finished k-point number 72 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930751814276346 0.927275862023018 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 12) Finished k-point number 13 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 26) Finished k-point number 27 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 8) Finished k-point number 9 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 25) Finished k-point number 26 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 24) Finished k-point number 25 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 17) Finished k-point number 18 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 31) Finished k-point number 32 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 92) Finished k-point number 93 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0427959126033 Density= 15.9974441290018 16.0000000000000 EF 13.3149097447169 Density= 16.4907366119849 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97862790 0.95862790 0.490737 -0.255587E-02 1 0.96862790 0.95862792 0.252180 -0.255587E-02 2 0.96362791 0.95862815 0.127389 -0.255587E-02 3 0.96112803 0.95862780 0.632601E-01 -0.255587E-02 4 0.95987792 0.95862797 0.305919E-01 -0.255587E-02 5 0.95925295 0.95862813 0.140831E-01 -0.255587E-02 6 0.95894054 0.95862781 0.578310E-02 -0.255587E-02 7 0.95878417 0.95862773 0.161658E-02 -0.255587E-02 8 0.95872353 0.95878417 -0.150200E-05 0.161658E-02 9 0.95872359 0.95872353 0.587260E-09 -0.150200E-05 10 0.95872359 0.95872359 -0.208216E-08 0.587260E-09 11 0.95872359 0.95872359 -0.208216E-08 0.587260E-09 Absolute convergence of the X interval. Difference in EF= 0.0013018848 EF set to : 13.0440977975 new EF (no-mixing): 13.0440977975 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001203 tlogG= -0.001250 logG= -0.002453 Density= 0.018985 ETOT(band)= 0.001285 trlgG= -0.001602 logG= -0.002453 TDE= -0.017351 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009600 tlogG= -0.009538 logG= -0.019139 Density= 0.151781 ETOT(band)= 0.010535 trlgG= -0.012081 logG= -0.019139 TDE= -0.138458 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002398 tlogG= -0.002405 logG= -0.004804 Density= 0.037921 ETOT(band)= 0.002665 trlgG= -0.003011 logG= -0.004804 TDE= -0.034563 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004796 tlogG= -0.004621 logG= -0.009417 Density= 0.075865 ETOT(band)= 0.005348 trlgG= -0.005808 logG= -0.009417 TDE= -0.069125 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002403 tlogG= -0.002081 logG= -0.004484 Density= 0.037489 ETOT(band)= 0.002717 trlgG= -0.002684 logG= -0.004484 TDE= -0.034141 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001569 tlogG= -0.001325 logG= -0.002894 Density= 0.022786 ETOT(band)= -0.000101 trlgG= -0.003469 logG= -0.002894 TDE= -0.022420 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004816 tlogG= -0.004199 logG= -0.009016 Density= 0.075540 ETOT(band)= 0.005398 trlgG= -0.005421 logG= -0.009016 TDE= -0.068828 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009628 tlogG= -0.008073 logG= -0.017701 Density= 0.150700 ETOT(band)= 0.010971 trlgG= -0.010319 logG= -0.017701 TDE= -0.137098 logGD-logG0= -0.009651 tlogG= -0.006703 logG= -0.016353 Density= 0.143718 ETOT(band)= 0.005184 trlgG= -0.014563 logG= -0.016353 TDE= -0.135996 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009631 tlogG= -0.008679 logG= -0.018310 Density= 0.150896 ETOT(band)= 0.011048 trlgG= -0.010871 logG= -0.018310 TDE= -0.137228 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009602 tlogG= -0.007814 logG= -0.017415 Density= 0.150097 ETOT(band)= 0.011420 trlgG= -0.009548 logG= -0.017415 TDE= -0.136034 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009643 tlogG= -0.008811 logG= -0.018454 Density= 0.151324 ETOT(band)= 0.011020 trlgG= -0.011002 logG= -0.018454 TDE= -0.137626 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019254 tlogG= -0.015921 logG= -0.035175 Density= 0.301543 ETOT(band)= 0.021855 trlgG= -0.020504 logG= -0.035175 TDE= -0.274425 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019231 tlogG= -0.014804 logG= -0.034035 Density= 0.299579 ETOT(band)= 0.021967 trlgG= -0.019044 logG= -0.034035 TDE= -0.272223 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004795 tlogG= -0.003574 logG= -0.008369 Density= 0.074848 ETOT(band)= 0.005242 trlgG= -0.004847 logG= -0.008369 TDE= -0.068237 logGD-logG0= -0.009641 tlogG= -0.006652 logG= -0.016293 Density= 0.147432 ETOT(band)= 0.008942 trlgG= -0.010823 logG= -0.016293 TDE= -0.135877 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003132 tlogG= -0.002543 logG= -0.005675 Density= 0.045400 ETOT(band)= -0.000199 trlgG= -0.006861 logG= -0.005675 TDE= -0.044712 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003086 tlogG= -0.002618 logG= -0.005704 Density= 0.045887 ETOT(band)= 0.000701 trlgG= -0.005837 logG= -0.005704 TDE= -0.044127 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003114 tlogG= -0.002569 logG= -0.005683 logGD-logG0= -0.009400 tlogG= -0.007418 logG= -0.016818 Density= 0.136678 ETOT(band)= -0.000223 trlgG= -0.020057 logG= -0.016818 TDE= -0.134275 Density= 0.045624 ETOT(band)= 0.000201 trlgG= -0.006394 logG= -0.005683 TDE= -0.044452 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009386 tlogG= -0.007342 logG= -0.016728 Density= 0.136716 ETOT(band)= 0.000162 trlgG= -0.019549 logG= -0.016728 TDE= -0.133894 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009409 tlogG= -0.007506 logG= -0.016915 Density= 0.136804 ETOT(band)= -0.000281 trlgG= -0.020197 logG= -0.016915 TDE= -0.134440 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009419 tlogG= -0.006703 logG= -0.016122 Density= 0.137924 ETOT(band)= 0.001104 trlgG= -0.018146 logG= -0.016122 TDE= -0.134255 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009329 tlogG= -0.007409 logG= -0.016738 Density= 0.137359 ETOT(band)= 0.001440 trlgG= -0.018030 logG= -0.016738 TDE= -0.132982 logGD-logG0= -0.009706 tlogG= -0.007165 logG= -0.016872 Density= 0.147775 ETOT(band)= 0.009649 trlgG= -0.010726 logG= -0.016872 TDE= -0.135529 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009645 tlogG= -0.007578 logG= -0.017222 Density= 0.149138 ETOT(band)= 0.011287 trlgG= -0.009464 logG= -0.017222 TDE= -0.135224 logGD-logG0= -0.009499 tlogG= -0.005683 logG= -0.015182 Density= 0.133900 ETOT(band)= -0.002612 trlgG= -0.020822 logG= -0.015182 TDE= -0.134012 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009677 tlogG= -0.006552 logG= -0.016228 Density= 0.142376 ETOT(band)= 0.004546 trlgG= -0.014956 logG= -0.016228 TDE= -0.135227 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009391 tlogG= -0.006573 logG= -0.015964 Density= 0.137690 ETOT(band)= 0.001365 trlgG= -0.017666 logG= -0.015964 TDE= -0.133709 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009512 tlogG= -0.006397 logG= -0.015909 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.140220 ETOT(band)= 0.003660 trlgG= -0.015259 logG= -0.015909 TDE= -0.133782 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009473 tlogG= -0.005984 logG= -0.015457 Density= 0.138057 ETOT(band)= 0.001352 trlgG= -0.017228 logG= -0.015457 TDE= -0.134130 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009581 tlogG= -0.006608 logG= -0.016189 Density= 0.143470 ETOT(band)= 0.007092 trlgG= -0.012202 logG= -0.016189 TDE= -0.133561 logGD-logG0= -0.009414 tlogG= -0.006886 logG= -0.016300 Density= 0.138465 ETOT(band)= 0.002020 trlgG= -0.017186 logG= -0.016300 TDE= -0.133636 logGD-logG0= -0.009427 tlogG= -0.006668 logG= -0.016095 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137865 ETOT(band)= 0.001124 trlgG= -0.018132 logG= -0.016095 TDE= -0.134211 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009365 tlogG= -0.007375 logG= -0.016740 Density= 0.136937 ETOT(band)= 0.000559 trlgG= -0.019077 logG= -0.016740 TDE= -0.133621 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004766 tlogG= -0.002596 logG= -0.007362 Density= 0.065391 ETOT(band)= -0.002500 trlgG= -0.011243 logG= -0.007362 TDE= -0.066574 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009453 tlogG= -0.005662 logG= -0.015115 Density= 0.136908 ETOT(band)= 0.000737 trlgG= -0.017494 logG= -0.015115 TDE= -0.133636 logGD-logG0= -0.004754 tlogG= -0.003124 logG= -0.007878 Density= 0.067623 ETOT(band)= -0.001030 trlgG= -0.010448 logG= -0.007878 TDE= -0.067402 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009360 tlogG= -0.006858 logG= -0.016218 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.139007 ETOT(band)= 0.003285 trlgG= -0.015666 logG= -0.016218 TDE= -0.132717 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009410 tlogG= -0.006900 logG= -0.016311 Density= 0.137540 ETOT(band)= 0.000650 trlgG= -0.018798 logG= -0.016311 TDE= -0.134350 logGD-logG0= -0.009490 tlogG= -0.006182 logG= -0.015672 logGD-logG0= -0.009517 tlogG= -0.006067 logG= -0.015584 Density= 0.135859 ETOT(band)= -0.001111 trlgG= -0.019787 logG= -0.015584 TDE= -0.134455 Density= 0.138609 ETOT(band)= 0.001874 trlgG= -0.016848 logG= -0.015672 TDE= -0.134064 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019404 tlogG= -0.012850 logG= -0.032254 Density= 0.284882 ETOT(band)= 0.008711 trlgG= -0.030201 logG= -0.032254 TDE= -0.271071 logGD-logG0= -0.009724 tlogG= -0.006557 logG= -0.016281 Density= 0.142964 ETOT(band)= 0.004589 trlgG= -0.015070 logG= -0.016281 TDE= -0.135852 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018935 tlogG= -0.012191 logG= -0.031126 Density= 0.278258 ETOT(band)= 0.004759 trlgG= -0.032756 logG= -0.031126 TDE= -0.268403 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019169 tlogG= -0.012142 logG= -0.031312 Density= 0.281291 ETOT(band)= 0.007433 trlgG= -0.030266 logG= -0.031312 TDE= -0.268634 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018811 tlogG= -0.013799 logG= -0.032610 Density= 0.275236 ETOT(band)= 0.001919 trlgG= -0.036835 logG= -0.032610 TDE= -0.268100 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018742 tlogG= -0.013846 logG= -0.032588 Density= 0.275850 ETOT(band)= 0.003697 trlgG= -0.034633 logG= -0.032588 TDE= -0.266509 logGD-logG0= -0.018918 tlogG= -0.012044 logG= -0.030962 Density= 0.277948 ETOT(band)= 0.004749 trlgG= -0.032558 logG= -0.030962 TDE= -0.268072 logGD-logG0= -0.019456 tlogG= -0.012814 logG= -0.032271 Density= 0.289659 ETOT(band)= 0.015625 trlgG= -0.023169 logG= -0.032271 TDE= -0.268602 logGD-logG0= -0.019021 tlogG= -0.010941 logG= -0.029962 Density= 0.271473 ETOT(band)= -0.001329 trlgG= -0.037457 logG= -0.029962 TDE= -0.267762 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019040 tlogG= -0.011544 logG= -0.030584 Density= 0.275287 ETOT(band)= 0.001815 trlgG= -0.034920 logG= -0.030584 TDE= -0.268260 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018918 tlogG= -0.012345 logG= -0.031263 logGD-logG0= -0.019116 tlogG= -0.010268 logG= -0.029383 Density= 0.263902 ETOT(band)= -0.007800 trlgG= -0.043010 logG= -0.029383 TDE= -0.266635 Density= 0.278043 ETOT(band)= 0.005137 trlgG= -0.032309 logG= -0.031263 TDE= -0.267613 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019133 tlogG= -0.010538 logG= -0.029670 Density= 0.278106 ETOT(band)= 0.005338 trlgG= -0.030562 logG= -0.029670 TDE= -0.267518 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009525 tlogG= -0.005512 logG= -0.015037 logGD-logG0= -0.018850 tlogG= -0.012432 logG= -0.031282 Density= 0.133193 ETOT(band)= -0.003273 trlgG= -0.021274 logG= -0.015037 TDE= -0.133931 Density= 0.278847 ETOT(band)= 0.007097 trlgG= -0.030059 logG= -0.031282 TDE= -0.266114 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018842 tlogG= -0.011721 logG= -0.030562 Density= 0.276568 ETOT(band)= 0.004689 trlgG= -0.032016 logG= -0.030562 TDE= -0.266606 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009592 tlogG= -0.005238 logG= -0.014830 logGD-logG0= -0.019070 tlogG= -0.010611 logG= -0.029681 Density= 0.274517 ETOT(band)= 0.002752 trlgG= -0.032954 logG= -0.029681 TDE= -0.266459 Density= 0.139976 ETOT(band)= 0.003291 trlgG= -0.014713 logG= -0.014830 TDE= -0.134081 logGD-logG0= -0.019060 tlogG= -0.011786 logG= -0.030845 Density= 0.270270 ETOT(band)= -0.003710 trlgG= -0.040754 logG= -0.030845 TDE= -0.269023 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019154 tlogG= -0.010181 logG= -0.029335 Density= 0.267007 ETOT(band)= -0.005575 trlgG= -0.040801 logG= -0.029335 TDE= -0.267452 logGD-logG0= -0.000385 tlogG= 0.008618 logG= 0.008233 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.005720 ETOT(band)= 0.000080 trlgG= 0.008202 logG= 0.008233 TDE= -0.005514 logGD-logG0= -0.009597 tlogG= -0.004923 logG= -0.014520 Density= 0.130760 ETOT(band)= -0.005070 trlgG= -0.022439 logG= -0.014520 TDE= -0.133282 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019208 tlogG= -0.011230 logG= -0.030438 Density= 0.278069 ETOT(band)= 0.004337 trlgG= -0.032397 logG= -0.030438 TDE= -0.268551 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009744 tlogG= -0.006006 logG= -0.015750 Density= 0.144015 ETOT(band)= 0.006781 trlgG= -0.012223 logG= -0.015750 TDE= -0.134544 logGD-logG0= -0.019107 tlogG= -0.010700 logG= -0.029806 Density= 0.272330 ETOT(band)= -0.001079 trlgG= -0.036896 logG= -0.029806 TDE= -0.268179 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019270 tlogG= -0.012000 logG= -0.031270 Density= 0.280058 ETOT(band)= 0.004936 trlgG= -0.032819 logG= -0.031270 TDE= -0.270047 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009550 tlogG= -0.005319 logG= -0.014869 Density= 0.136914 ETOT(band)= 0.000265 trlgG= -0.017561 logG= -0.014869 TDE= -0.133954 logGD-logG0= -0.009540 tlogG= -0.005543 logG= -0.015083 Density= 0.135901 ETOT(band)= -0.000911 trlgG= -0.018934 logG= -0.015083 TDE= -0.134142 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004773 tlogG= -0.002674 logG= -0.007447 Density= 0.068631 ETOT(band)= 0.000245 trlgG= -0.008729 logG= -0.007447 TDE= -0.067080 logGD-logG0= -0.009531 tlogG= -0.005181 logG= -0.014712 Density= 0.136456 ETOT(band)= -0.000071 trlgG= -0.017648 logG= -0.014712 TDE= -0.133759 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002425 tlogG= -0.001875 logG= -0.004300 Density= 0.036995 ETOT(band)= 0.002729 trlgG= -0.002413 logG= -0.004300 TDE= -0.033581 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009287 tlogG= -0.008860 logG= -0.018146 Density= 0.139444 ETOT(band)= 0.004046 trlgG= -0.016714 logG= -0.018146 TDE= -0.132256 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002323 tlogG= -0.002356 logG= -0.004679 Density= 0.034884 ETOT(band)= 0.001029 trlgG= -0.004334 logG= -0.004679 TDE= -0.033100 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009337 tlogG= -0.007797 logG= -0.017134 Density= 0.138588 ETOT(band)= 0.003236 trlgG= -0.016446 logG= -0.017134 TDE= -0.132180 logGD-logG0= -0.009382 tlogG= -0.007450 logG= -0.016832 Density= 0.137595 ETOT(band)= 0.001991 trlgG= -0.017533 logG= -0.016832 TDE= -0.132616 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009351 tlogG= -0.008471 logG= -0.017822 Density= 0.140868 ETOT(band)= 0.005395 trlgG= -0.015185 logG= -0.017822 TDE= -0.132416 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009636 tlogG= -0.007214 logG= -0.016850 Density= 0.144880 ETOT(band)= 0.008739 trlgG= -0.011124 logG= -0.016850 TDE= -0.133174 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009403 tlogG= -0.007366 logG= -0.016769 Density= 0.140976 ETOT(band)= 0.005571 trlgG= -0.014007 logG= -0.016769 TDE= -0.132395 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009319 tlogG= -0.008024 logG= -0.017343 Density= 0.138853 ETOT(band)= 0.003615 trlgG= -0.016330 logG= -0.017343 TDE= -0.132109 logGD-logG0= -0.002371 tlogG= -0.001979 logG= -0.004350 Density= 0.035802 ETOT(band)= 0.001852 trlgG= -0.003209 logG= -0.004350 TDE= -0.033184 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004661 tlogG= -0.004042 logG= -0.008702 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.069944 ETOT(band)= 0.002322 trlgG= -0.007714 logG= -0.008702 TDE= -0.066069 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009555 tlogG= -0.005371 logG= -0.014925 Density= 0.133870 ETOT(band)= -0.001461 trlgG= -0.019339 logG= -0.014925 TDE= -0.132758 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009391 tlogG= -0.006929 logG= -0.016320 Density= 0.139355 ETOT(band)= 0.004269 trlgG= -0.014761 logG= -0.016320 TDE= -0.132044 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018683 tlogG= -0.015844 logG= -0.034526 Density= 0.280407 ETOT(band)= 0.009779 trlgG= -0.030098 logG= -0.034526 TDE= -0.264405 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004752 tlogG= -0.002844 logG= -0.007596 Density= 0.068463 ETOT(band)= 0.001016 trlgG= -0.008026 logG= -0.007596 TDE= -0.066068 logGD-logG0= -0.009588 tlogG= -0.005063 logG= -0.014651 Density= 0.130573 ETOT(band)= -0.004538 trlgG= -0.022016 logG= -0.014651 TDE= -0.132549 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009753 tlogG= -0.006748 logG= -0.016501 logGD-logG0= -0.019022 tlogG= -0.013310 logG= -0.032331 Density= 0.284624 ETOT(band)= 0.013331 trlgG= -0.024988 logG= -0.032331 TDE= -0.265533 Density= 0.145835 ETOT(band)= 0.009269 trlgG= -0.010561 logG= -0.016501 TDE= -0.133875 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009285 tlogG= -0.009088 logG= -0.018373 Density= 0.139638 ETOT(band)= 0.004236 trlgG= -0.016819 logG= -0.018373 TDE= -0.132320 logGD-logG0= -0.009441 tlogG= -0.006399 logG= -0.015841 Density= 0.137471 ETOT(band)= 0.002064 trlgG= -0.016767 logG= -0.015841 TDE= -0.132723 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009447 tlogG= -0.007565 logG= -0.017012 Density= 0.142464 ETOT(band)= 0.006870 trlgG= -0.012966 logG= -0.017012 TDE= -0.132537 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009615 tlogG= -0.005730 logG= -0.015345 Density= 0.141437 ETOT(band)= 0.005727 trlgG= -0.012783 logG= -0.015345 TDE= -0.133037 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018793 tlogG= -0.014067 logG= -0.032860 Density= 0.277569 ETOT(band)= 0.006932 trlgG= -0.031263 logG= -0.032860 TDE= -0.264515 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018960 tlogG= -0.011778 logG= -0.030738 Density= 0.277034 ETOT(band)= 0.006663 trlgG= -0.029991 logG= -0.030738 TDE= -0.264852 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009427 tlogG= -0.006706 logG= -0.016133 Density= 0.140802 ETOT(band)= 0.005647 trlgG= -0.013397 logG= -0.016133 TDE= -0.132255 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003085 tlogG= 0.069069 logG= 0.065984 Density= 0.045872 ETOT(band)= 0.000763 trlgG= 0.065848 logG= 0.065984 TDE= -0.044115 logGD-logG0= -0.003096 tlogG= 0.069354 logG= 0.066258 Density= 0.046219 ETOT(band)= 0.001081 trlgG= 0.066463 logG= 0.066258 TDE= -0.044106 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003115 tlogG= 0.069753 logG= 0.066638 Density= 0.046286 ETOT(band)= 0.001178 trlgG= 0.066954 logG= 0.066638 TDE= -0.044060 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002314 tlogG= 0.051821 logG= 0.049507 Density= 0.034466 ETOT(band)= 0.000622 trlgG= 0.049461 logG= 0.049507 TDE= -0.033090 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009282 tlogG= 0.208083 logG= 0.198801 Density= 0.138627 ETOT(band)= 0.003273 trlgG= 0.199364 logG= 0.198801 TDE= -0.132343 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009319 tlogG= 0.208784 logG= 0.199466 Density= 0.139121 ETOT(band)= 0.003793 trlgG= 0.200578 logG= 0.199466 TDE= -0.132266 logGD-logG0= -0.004632 tlogG= 0.103859 logG= 0.099227 Density= 0.069171 ETOT(band)= 0.001472 trlgG= 0.099371 logG= 0.099227 TDE= -0.066172 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 5.06518368987805 eV TrLogG= -13.6353441589544 eV Ratio to renormalize= 0.999999999859 rho-rho_expected= 0.000000002262 nargs= 1 argi=dmft2.def 13) Finished k-point number 14 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 31) Finished k-point number 32 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 34) Finished k-point number 35 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 32) Finished k-point number 33 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 87) Finished k-point number 88 1 with #bands= 18 89) Finished k-point number 90 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 84) Finished k-point number 85 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 91) Finished k-point number 92 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 98) Finished k-point number 99 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930791743402566 0.927310023962223 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 16) Finished k-point number 17 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 8) Finished k-point number 9 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 30) Finished k-point number 31 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 25) Finished k-point number 26 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 34) Finished k-point number 35 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 20 33) Finished k-point number 34 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 93) Finished k-point number 94 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0440977974527 Density= 16.0023657314237 16.0000000000000 EF 12.7719839653391 Density= 15.3853320945315 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95872359 0.93872359 0.236573E-02 -0.614668 1 0.95864691 0.93872359 0.320900E-03 -0.614668 2 0.95863488 0.95864691 -0.160914E-07 0.320900E-03 3 0.95863488 0.95863488 0.125056E-11 -0.160914E-07 Absolute convergence of |F(X)|. Difference in EF= -0.0012069283 EF set to : 13.0428908692 new EF (no-mixing): 13.0428908692 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001203 tlogG= -0.001250 logG= -0.002453 Density= 0.018986 ETOT(band)= 0.001284 trlgG= -0.001603 logG= -0.002453 TDE= -0.017351 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009600 tlogG= -0.009538 logG= -0.019138 Density= 0.151788 ETOT(band)= 0.010530 trlgG= -0.012083 logG= -0.019138 TDE= -0.138455 logGD-logG0= -0.002398 tlogG= -0.002405 logG= -0.004804 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 Density= 0.037923 ETOT(band)= 0.002664 trlgG= -0.003012 logG= -0.004804 TDE= -0.034563 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004796 tlogG= -0.004621 logG= -0.009417 Density= 0.075869 ETOT(band)= 0.005346 trlgG= -0.005809 logG= -0.009417 TDE= -0.069124 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002403 tlogG= -0.002081 logG= -0.004484 Density= 0.037492 ETOT(band)= 0.002717 trlgG= -0.002684 logG= -0.004484 TDE= -0.034141 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001569 tlogG= -0.001325 logG= -0.002894 Density= 0.022787 ETOT(band)= -0.000102 trlgG= -0.003470 logG= -0.002894 TDE= -0.022420 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004816 tlogG= -0.004200 logG= -0.009016 Density= 0.075546 ETOT(band)= 0.005397 trlgG= -0.005421 logG= -0.009016 TDE= -0.068826 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009627 tlogG= -0.008072 logG= -0.017699 Density= 0.150708 ETOT(band)= 0.010968 trlgG= -0.010319 logG= -0.017699 TDE= -0.137095 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009650 tlogG= -0.006702 logG= -0.016352 Density= 0.143709 ETOT(band)= 0.005163 trlgG= -0.014581 logG= -0.016352 TDE= -0.135993 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009631 tlogG= -0.008678 logG= -0.018309 Density= 0.150905 ETOT(band)= 0.011045 trlgG= -0.010871 logG= -0.018309 TDE= -0.137225 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009601 tlogG= -0.007813 logG= -0.017415 Density= 0.150107 ETOT(band)= 0.011417 trlgG= -0.009548 logG= -0.017415 TDE= -0.136031 logGD-logG0= -0.019253 tlogG= -0.015921 logG= -0.035174 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.301560 ETOT(band)= 0.021847 trlgG= -0.020508 logG= -0.035174 TDE= -0.274419 logGD-logG0= -0.009642 tlogG= -0.008811 logG= -0.018453 Density= 0.151332 ETOT(band)= 0.011016 trlgG= -0.011004 logG= -0.018453 TDE= -0.137623 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019230 tlogG= -0.014802 logG= -0.034032 Density= 0.299592 ETOT(band)= 0.021956 trlgG= -0.019050 logG= -0.034032 TDE= -0.272217 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009640 tlogG= -0.006652 logG= -0.016292 Density= 0.147436 ETOT(band)= 0.008935 trlgG= -0.010829 logG= -0.016292 TDE= -0.135874 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004795 tlogG= -0.003574 logG= -0.008369 Density= 0.074852 ETOT(band)= 0.005239 trlgG= -0.004849 logG= -0.008369 TDE= -0.068236 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003132 tlogG= -0.002544 logG= -0.005676 Density= 0.045402 ETOT(band)= -0.000201 trlgG= -0.006864 logG= -0.005676 TDE= -0.044712 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003086 tlogG= -0.002618 logG= -0.005704 Density= 0.045888 ETOT(band)= 0.000698 trlgG= -0.005840 logG= -0.005704 TDE= -0.044126 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009409 tlogG= -0.007505 logG= -0.016914 Density= 0.136808 ETOT(band)= -0.000289 trlgG= -0.020202 logG= -0.016914 TDE= -0.134438 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003114 tlogG= -0.002569 logG= -0.005683 Density= 0.045625 ETOT(band)= 0.000198 trlgG= -0.006397 logG= -0.005683 TDE= -0.044452 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009401 tlogG= -0.007419 logG= -0.016820 Density= 0.136682 ETOT(band)= -0.000230 trlgG= -0.020064 logG= -0.016820 TDE= -0.134273 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009386 tlogG= -0.007344 logG= -0.016730 Density= 0.136721 ETOT(band)= 0.000155 trlgG= -0.019557 logG= -0.016730 TDE= -0.133893 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009417 tlogG= -0.006701 logG= -0.016117 Density= 0.137923 ETOT(band)= 0.001089 trlgG= -0.018153 logG= -0.016117 TDE= -0.134253 logGD-logG0= -0.009644 tlogG= -0.007577 logG= -0.017221 logGD-logG0= -0.009706 tlogG= -0.007164 logG= -0.016870 Density= 0.147782 ETOT(band)= 0.009644 trlgG= -0.010728 logG= -0.016870 TDE= -0.135526 Density= 0.149147 ETOT(band)= 0.011284 trlgG= -0.009464 logG= -0.017221 TDE= -0.135221 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009329 tlogG= -0.007408 logG= -0.016737 Density= 0.137362 ETOT(band)= 0.001431 trlgG= -0.018038 logG= -0.016737 TDE= -0.132980 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009426 tlogG= -0.006667 logG= -0.016093 logGD-logG0= -0.009365 tlogG= -0.007376 logG= -0.016741 Density= 0.136941 ETOT(band)= 0.000552 trlgG= -0.019084 logG= -0.016741 TDE= -0.133620 Density= 0.137867 ETOT(band)= 0.001114 trlgG= -0.018138 logG= -0.016093 TDE= -0.134209 logGD-logG0= -0.009513 tlogG= -0.006399 logG= -0.015912 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.140218 ETOT(band)= 0.003647 trlgG= -0.015273 logG= -0.015912 TDE= -0.133780 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009360 tlogG= -0.006859 logG= -0.016220 logGD-logG0= -0.009676 tlogG= -0.006552 logG= -0.016229 Density= 0.139008 ETOT(band)= 0.003274 trlgG= -0.015677 logG= -0.016220 TDE= -0.132715 Density= 0.142368 ETOT(band)= 0.004527 trlgG= -0.014974 logG= -0.016229 TDE= -0.135225 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009473 tlogG= -0.005986 logG= -0.015458 Density= 0.138057 ETOT(band)= 0.001340 trlgG= -0.017240 logG= -0.015458 TDE= -0.134128 logGD-logG0= -0.009390 tlogG= -0.006571 logG= -0.015961 Density= 0.137693 ETOT(band)= 0.001355 trlgG= -0.017671 logG= -0.015961 TDE= -0.133707 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009414 tlogG= -0.006887 logG= -0.016301 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004754 tlogG= -0.003126 logG= -0.007880 Density= 0.067626 ETOT(band)= -0.001033 trlgG= -0.010452 logG= -0.007880 TDE= -0.067401 Density= 0.138466 ETOT(band)= 0.002009 trlgG= -0.017197 logG= -0.016301 TDE= -0.133634 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009580 tlogG= -0.006606 logG= -0.016186 Density= 0.143464 ETOT(band)= 0.007075 trlgG= -0.012215 logG= -0.016186 TDE= -0.133558 logGD-logG0= -0.004766 tlogG= -0.002597 logG= -0.007364 logGD-logG0= -0.009453 tlogG= -0.005662 logG= -0.015115 Density= 0.065382 ETOT(band)= -0.002515 trlgG= -0.011259 logG= -0.007364 TDE= -0.066573 Density= 0.136909 ETOT(band)= 0.000726 trlgG= -0.017504 logG= -0.015115 TDE= -0.133634 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009517 tlogG= -0.006068 logG= -0.015585 Density= 0.135861 ETOT(band)= -0.001121 trlgG= -0.019797 logG= -0.015585 TDE= -0.134453 logGD-logG0= -0.009490 tlogG= -0.006183 logG= -0.015672 Density= 0.138609 ETOT(band)= 0.001863 trlgG= -0.016859 logG= -0.015672 TDE= -0.134062 logGD-logG0= -0.009498 tlogG= -0.005684 logG= -0.015182 Density= 0.133897 ETOT(band)= -0.002627 trlgG= -0.020834 logG= -0.015182 TDE= -0.134011 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009410 tlogG= -0.006899 logG= -0.016309 Density= 0.137543 ETOT(band)= 0.000642 trlgG= -0.018804 logG= -0.016309 TDE= -0.134348 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019402 tlogG= -0.012852 logG= -0.032254 Density= 0.284853 ETOT(band)= 0.008660 trlgG= -0.030249 logG= -0.032254 TDE= -0.271065 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009724 tlogG= -0.006556 logG= -0.016280 Density= 0.142957 ETOT(band)= 0.004573 trlgG= -0.015085 logG= -0.016280 TDE= -0.135849 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019021 tlogG= -0.010943 logG= -0.029964 Density= 0.271482 ETOT(band)= -0.001343 trlgG= -0.037470 logG= -0.029964 TDE= -0.267758 logGD-logG0= -0.018810 tlogG= -0.013800 logG= -0.032610 Density= 0.275242 ETOT(band)= 0.001900 trlgG= -0.036850 logG= -0.032610 TDE= -0.268097 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018916 tlogG= -0.012045 logG= -0.030961 Density= 0.277948 ETOT(band)= 0.004724 trlgG= -0.032578 logG= -0.030961 TDE= -0.268068 logGD-logG0= -0.018743 tlogG= -0.013844 logG= -0.032587 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.275858 ETOT(band)= 0.003682 trlgG= -0.034646 logG= -0.032587 TDE= -0.266505 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019115 tlogG= -0.010273 logG= -0.029388 Density= 0.263900 ETOT(band)= -0.007824 trlgG= -0.043036 logG= -0.029388 TDE= -0.266632 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018918 tlogG= -0.012347 logG= -0.031265 Density= 0.278040 ETOT(band)= 0.005111 trlgG= -0.032334 logG= -0.031265 TDE= -0.267609 logGD-logG0= -0.019040 tlogG= -0.011548 logG= -0.030588 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.275285 ETOT(band)= 0.001791 trlgG= -0.034946 logG= -0.030588 TDE= -0.268255 logGD-logG0= -0.018938 tlogG= -0.012200 logG= -0.031138 Density= 0.278265 ETOT(band)= 0.004744 trlgG= -0.032782 logG= -0.031138 TDE= -0.268398 logGD-logG0= -0.019170 tlogG= -0.012143 logG= -0.031313 Density= 0.281283 ETOT(band)= 0.007404 trlgG= -0.030295 logG= -0.031313 TDE= -0.268629 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000385 tlogG= 0.008617 logG= 0.008232 Density= 0.005720 ETOT(band)= 0.000080 trlgG= 0.008201 logG= 0.008232 TDE= -0.005514 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019134 tlogG= -0.010531 logG= -0.029665 Density= 0.278087 ETOT(band)= 0.005298 trlgG= -0.030595 logG= -0.029665 TDE= -0.267514 logGD-logG0= -0.009524 tlogG= -0.005510 logG= -0.015034 logGD-logG0= -0.019058 tlogG= -0.011784 logG= -0.030842 Density= 0.270269 ETOT(band)= -0.003736 trlgG= -0.040772 logG= -0.030842 TDE= -0.269019 Density= 0.133194 ETOT(band)= -0.003284 trlgG= -0.021279 logG= -0.015034 TDE= -0.133930 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018850 tlogG= -0.012431 logG= -0.031282 Density= 0.278844 ETOT(band)= 0.007070 trlgG= -0.030082 logG= -0.031282 TDE= -0.266110 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019456 tlogG= -0.012814 logG= -0.032270 Density= 0.289656 ETOT(band)= 0.015598 trlgG= -0.023193 logG= -0.032270 TDE= -0.268597 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018845 tlogG= -0.011729 logG= -0.030574 Density= 0.276569 ETOT(band)= 0.004670 trlgG= -0.032048 logG= -0.030574 TDE= -0.266602 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009598 tlogG= -0.004924 logG= -0.014521 Density= 0.130751 ETOT(band)= -0.005089 trlgG= -0.022458 logG= -0.014521 TDE= -0.133280 logGD-logG0= -0.019268 tlogG= -0.011999 logG= -0.031267 Density= 0.280044 ETOT(band)= 0.004899 trlgG= -0.032850 logG= -0.031267 TDE= -0.270042 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019069 tlogG= -0.010611 logG= -0.029680 Density= 0.274520 ETOT(band)= 0.002733 trlgG= -0.032970 logG= -0.029680 TDE= -0.266455 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019108 tlogG= -0.010706 logG= -0.029813 Density= 0.272327 ETOT(band)= -0.001104 trlgG= -0.036926 logG= -0.029813 TDE= -0.268175 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009592 tlogG= -0.005237 logG= -0.014828 Density= 0.139966 ETOT(band)= 0.003269 trlgG= -0.014730 logG= -0.014828 TDE= -0.134078 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009744 tlogG= -0.006006 logG= -0.015750 Density= 0.144012 ETOT(band)= 0.006766 trlgG= -0.012237 logG= -0.015750 TDE= -0.134541 logGD-logG0= -0.019207 tlogG= -0.011231 logG= -0.030438 Density= 0.278058 ETOT(band)= 0.004304 trlgG= -0.032428 logG= -0.030438 TDE= -0.268546 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019154 tlogG= -0.010182 logG= -0.029336 Density= 0.266985 ETOT(band)= -0.005620 trlgG= -0.040843 logG= -0.029336 TDE= -0.267448 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009531 tlogG= -0.005183 logG= -0.014715 logGD-logG0= -0.009539 tlogG= -0.005542 logG= -0.015082 Density= 0.135906 ETOT(band)= -0.000919 trlgG= -0.018938 logG= -0.015082 TDE= -0.134141 Density= 0.136457 ETOT(band)= -0.000081 trlgG= -0.017659 logG= -0.014715 TDE= -0.133757 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004773 tlogG= -0.002674 logG= -0.007448 Density= 0.068632 ETOT(band)= 0.000240 trlgG= -0.008734 logG= -0.007448 TDE= -0.067079 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009550 tlogG= -0.005320 logG= -0.014870 Density= 0.136913 ETOT(band)= 0.000252 trlgG= -0.017573 logG= -0.014870 TDE= -0.133952 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002425 tlogG= -0.001875 logG= -0.004300 Density= 0.036996 ETOT(band)= 0.002727 trlgG= -0.002415 logG= -0.004300 TDE= -0.033581 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002323 tlogG= -0.002356 logG= -0.004679 Density= 0.034885 ETOT(band)= 0.001026 trlgG= -0.004336 logG= -0.004679 TDE= -0.033099 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009287 tlogG= -0.008860 logG= -0.018147 Density= 0.139446 ETOT(band)= 0.004035 trlgG= -0.016723 logG= -0.018147 TDE= -0.132254 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002371 tlogG= -0.001979 logG= -0.004350 Density= 0.035802 ETOT(band)= 0.001849 trlgG= -0.003212 logG= -0.004350 TDE= -0.033184 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009337 tlogG= -0.007797 logG= -0.017134 Density= 0.138590 ETOT(band)= 0.003226 trlgG= -0.016455 logG= -0.017134 TDE= -0.132179 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009319 tlogG= -0.008025 logG= -0.017344 Density= 0.138855 ETOT(band)= 0.003605 trlgG= -0.016340 logG= -0.017344 TDE= -0.132107 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009403 tlogG= -0.007366 logG= -0.016768 Density= 0.140975 ETOT(band)= 0.005558 trlgG= -0.014018 logG= -0.016768 TDE= -0.132393 logGD-logG0= -0.009351 tlogG= -0.008472 logG= -0.017823 Density= 0.140867 ETOT(band)= 0.005383 trlgG= -0.015197 logG= -0.017823 TDE= -0.132414 logGD-logG0= -0.004661 tlogG= -0.004042 logG= -0.008703 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.069945 ETOT(band)= 0.002316 trlgG= -0.007719 logG= -0.008703 TDE= -0.066068 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009384 tlogG= -0.007454 logG= -0.016838 Density= 0.137599 ETOT(band)= 0.001984 trlgG= -0.017546 logG= -0.016838 TDE= -0.132615 logGD-logG0= -0.009636 tlogG= -0.007214 logG= -0.016849 Density= 0.144879 ETOT(band)= 0.008726 trlgG= -0.011135 logG= -0.016849 TDE= -0.133172 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009442 tlogG= -0.006401 logG= -0.015843 Density= 0.137474 ETOT(band)= 0.002056 trlgG= -0.016776 logG= -0.015843 TDE= -0.132721 logGD-logG0= -0.009554 tlogG= -0.005368 logG= -0.014922 Density= 0.133863 ETOT(band)= -0.001479 trlgG= -0.019353 logG= -0.014922 TDE= -0.132756 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009392 tlogG= -0.006929 logG= -0.016322 Density= 0.139356 ETOT(band)= 0.004259 trlgG= -0.014772 logG= -0.016322 TDE= -0.132042 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018683 tlogG= -0.015845 logG= -0.034527 Density= 0.280409 ETOT(band)= 0.009757 trlgG= -0.030119 logG= -0.034527 TDE= -0.264401 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004753 tlogG= -0.002845 logG= -0.007598 Density= 0.068459 ETOT(band)= 0.001007 trlgG= -0.008038 logG= -0.007598 TDE= -0.066067 logGD-logG0= -0.009285 tlogG= -0.009088 logG= -0.018374 Density= 0.139640 ETOT(band)= 0.004226 trlgG= -0.016828 logG= -0.018374 TDE= -0.132319 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009753 tlogG= -0.006748 logG= -0.016501 Density= 0.145836 ETOT(band)= 0.009259 trlgG= -0.010569 logG= -0.016501 TDE= -0.133872 logGD-logG0= -0.019022 tlogG= -0.013309 logG= -0.032330 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.284621 ETOT(band)= 0.013305 trlgG= -0.025010 logG= -0.032330 TDE= -0.265528 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009447 tlogG= -0.007565 logG= -0.017012 Density= 0.142463 ETOT(band)= 0.006857 trlgG= -0.012978 logG= -0.017012 TDE= -0.132535 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009615 tlogG= -0.005730 logG= -0.015345 Density= 0.141430 ETOT(band)= 0.005710 trlgG= -0.012799 logG= -0.015345 TDE= -0.133034 logGD-logG0= -0.018792 tlogG= -0.014067 logG= -0.032859 Density= 0.277573 ETOT(band)= 0.006911 trlgG= -0.031279 logG= -0.032859 TDE= -0.264512 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009588 tlogG= -0.005064 logG= -0.014652 Density= 0.130557 ETOT(band)= -0.004565 trlgG= -0.022043 logG= -0.014652 TDE= -0.132547 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018961 tlogG= -0.011780 logG= -0.030741 Density= 0.277044 ETOT(band)= 0.006651 trlgG= -0.030005 logG= -0.030741 TDE= -0.264848 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009426 tlogG= -0.006704 logG= -0.016130 Density= 0.140801 ETOT(band)= 0.005633 trlgG= -0.013406 logG= -0.016130 TDE= -0.132253 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003085 tlogG= 0.069063 logG= 0.065978 Density= 0.045874 ETOT(band)= 0.000760 trlgG= 0.065839 logG= 0.065978 TDE= -0.044114 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002314 tlogG= 0.051816 logG= 0.049502 Density= 0.034467 ETOT(band)= 0.000620 trlgG= 0.049454 logG= 0.049502 TDE= -0.033089 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003096 tlogG= 0.069348 logG= 0.066252 Density= 0.046220 ETOT(band)= 0.001077 trlgG= 0.066454 logG= 0.066252 TDE= -0.044106 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004633 tlogG= 0.103849 logG= 0.099216 Density= 0.069173 ETOT(band)= 0.001467 trlgG= 0.099356 logG= 0.099216 TDE= -0.066172 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009319 tlogG= 0.208763 logG= 0.199444 Density= 0.139124 ETOT(band)= 0.003783 trlgG= 0.200549 logG= 0.199444 TDE= -0.132265 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009282 tlogG= 0.208063 logG= 0.198781 Density= 0.138630 ETOT(band)= 0.003264 trlgG= 0.199335 logG= 0.198781 TDE= -0.132341 logGD-logG0= -0.003115 tlogG= 0.069747 logG= 0.066631 Density= 0.046287 ETOT(band)= 0.001174 trlgG= 0.066945 logG= 0.066631 TDE= -0.044059 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 5.04720494220904 eV TrLogG= -13.6526454390424 eV Ratio to renormalize= 0.999999999729 rho-rho_expected= 0.000000004344 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 25) Finished k-point number 26 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 81) Finished k-point number 82 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 94) Finished k-point number 95 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 88) Finished k-point number 89 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 98) Finished k-point number 99 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 55) Finished k-point number 56 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 69) Finished k-point number 70 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 78) Finished k-point number 79 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930720615411273 0.927286113899871 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 28) Finished k-point number 29 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 10) Finished k-point number 11 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 26 49) Finished k-point number 50 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 26 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 26 35) Finished k-point number 36 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 34) Finished k-point number 35 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 46) Finished k-point number 47 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0428908691798 Density= 15.9970904869512 16.0000000000000 EF 13.3150047012934 Density= 16.4904819161763 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97863488 0.95863488 0.490482 -0.290951E-02 1 0.96863488 0.95863490 0.251898 -0.290951E-02 2 0.96363489 0.95863513 0.127078 -0.290951E-02 3 0.96113501 0.95863525 0.629290E-01 -0.290951E-02 4 0.95988513 0.95863495 0.302559E-01 -0.290951E-02 5 0.95926004 0.95863487 0.137384E-01 -0.290951E-02 6 0.95894745 0.95863491 0.543074E-02 -0.290951E-02 7 0.95879118 0.95863513 0.126517E-02 -0.290951E-02 8 0.95874385 0.95863513 0.189789E-05 -0.290951E-02 9 0.95874378 0.95863513 0.128507E-08 -0.290951E-02 10 0.95874378 0.95874378 -0.138481E-08 0.128507E-08 11 0.95874378 0.95874378 -0.138481E-08 0.128507E-08 Absolute convergence of the X interval. Difference in EF= 0.0014816375 EF set to : 13.0443725067 new EF (no-mixing): 13.0443725067 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001203 tlogG= -0.001250 logG= -0.002453 Density= 0.018985 ETOT(band)= 0.001285 trlgG= -0.001602 logG= -0.002453 TDE= -0.017351 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002398 tlogG= -0.002405 logG= -0.004804 Density= 0.037921 ETOT(band)= 0.002665 trlgG= -0.003011 logG= -0.004804 TDE= -0.034564 logGD-logG0= -0.009601 tlogG= -0.009539 logG= -0.019139 Density= 0.151779 ETOT(band)= 0.010536 trlgG= -0.012080 logG= -0.019139 TDE= -0.138459 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004796 tlogG= -0.004621 logG= -0.009417 Density= 0.075865 ETOT(band)= 0.005348 trlgG= -0.005808 logG= -0.009417 TDE= -0.069126 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002403 tlogG= -0.002082 logG= -0.004484 Density= 0.037489 ETOT(band)= 0.002717 trlgG= -0.002684 logG= -0.004484 TDE= -0.034142 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001569 tlogG= -0.001325 logG= -0.002895 Density= 0.022786 ETOT(band)= -0.000100 trlgG= -0.003469 logG= -0.002895 TDE= -0.022420 logGD-logG0= -0.009628 tlogG= -0.008073 logG= -0.017700 Density= 0.150698 ETOT(band)= 0.010972 trlgG= -0.010318 logG= -0.017700 TDE= -0.137099 logGD-logG0= -0.009631 tlogG= -0.008679 logG= -0.018310 Density= 0.150895 ETOT(band)= 0.011049 trlgG= -0.010870 logG= -0.018310 TDE= -0.137229 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004816 tlogG= -0.004200 logG= -0.009016 Density= 0.075540 ETOT(band)= 0.005398 trlgG= -0.005421 logG= -0.009016 TDE= -0.068828 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009650 tlogG= -0.006703 logG= -0.016354 Density= 0.143728 ETOT(band)= 0.005195 trlgG= -0.014552 logG= -0.016354 TDE= -0.135997 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009643 tlogG= -0.008812 logG= -0.018454 Density= 0.151323 ETOT(band)= 0.011021 trlgG= -0.011002 logG= -0.018454 TDE= -0.137627 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019254 tlogG= -0.015922 logG= -0.035176 Density= 0.301540 ETOT(band)= 0.021857 trlgG= -0.020504 logG= -0.035176 TDE= -0.274427 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009602 tlogG= -0.007814 logG= -0.017416 Density= 0.150096 ETOT(band)= 0.011421 trlgG= -0.009547 logG= -0.017416 TDE= -0.136035 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019231 tlogG= -0.014805 logG= -0.034036 Density= 0.299577 ETOT(band)= 0.021970 trlgG= -0.019042 logG= -0.034036 TDE= -0.272224 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004795 tlogG= -0.003574 logG= -0.008369 Density= 0.074848 ETOT(band)= 0.005243 trlgG= -0.004847 logG= -0.008369 TDE= -0.068238 logGD-logG0= -0.009641 tlogG= -0.006653 logG= -0.016293 Density= 0.147432 ETOT(band)= 0.008944 trlgG= -0.010821 logG= -0.016293 TDE= -0.135878 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003132 tlogG= -0.002543 logG= -0.005675 Density= 0.045400 ETOT(band)= -0.000198 trlgG= -0.006861 logG= -0.005675 TDE= -0.044712 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003085 tlogG= -0.002617 logG= -0.005702 Density= 0.045887 ETOT(band)= 0.000701 trlgG= -0.005835 logG= -0.005702 TDE= -0.044127 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003114 tlogG= -0.002569 logG= -0.005683 Density= 0.045624 ETOT(band)= 0.000202 trlgG= -0.006394 logG= -0.005683 TDE= -0.044452 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009408 tlogG= -0.007504 logG= -0.016912 Density= 0.136803 ETOT(band)= -0.000280 trlgG= -0.020193 logG= -0.016912 TDE= -0.134440 logGD-logG0= -0.009401 tlogG= -0.007418 logG= -0.016820 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136677 ETOT(band)= -0.000220 trlgG= -0.020057 logG= -0.016820 TDE= -0.134275 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009386 tlogG= -0.007344 logG= -0.016730 Density= 0.136716 ETOT(band)= 0.000165 trlgG= -0.019550 logG= -0.016730 TDE= -0.133895 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009418 tlogG= -0.006703 logG= -0.016121 Density= 0.137921 ETOT(band)= 0.001102 trlgG= -0.018146 logG= -0.016121 TDE= -0.134256 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009330 tlogG= -0.007409 logG= -0.016739 Density= 0.137357 ETOT(band)= 0.001442 trlgG= -0.018030 logG= -0.016739 TDE= -0.132982 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009707 tlogG= -0.007165 logG= -0.016872 Density= 0.147771 ETOT(band)= 0.009647 trlgG= -0.010728 logG= -0.016872 TDE= -0.135530 logGD-logG0= -0.009677 tlogG= -0.006554 logG= -0.016231 Density= 0.142379 ETOT(band)= 0.004551 trlgG= -0.014955 logG= -0.016231 TDE= -0.135228 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009645 tlogG= -0.007578 logG= -0.017223 Density= 0.149137 ETOT(band)= 0.011288 trlgG= -0.009464 logG= -0.017223 TDE= -0.135225 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009513 tlogG= -0.006398 logG= -0.015911 Density= 0.140223 ETOT(band)= 0.003665 trlgG= -0.015256 logG= -0.015911 TDE= -0.133783 logGD-logG0= -0.009364 tlogG= -0.007374 logG= -0.016739 Density= 0.136936 ETOT(band)= 0.000561 trlgG= -0.019073 logG= -0.016739 TDE= -0.133622 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004754 tlogG= -0.003125 logG= -0.007879 Density= 0.067623 ETOT(band)= -0.001029 trlgG= -0.010447 logG= -0.007879 TDE= -0.067402 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009473 tlogG= -0.005983 logG= -0.015456 Density= 0.138057 ETOT(band)= 0.001354 trlgG= -0.017225 logG= -0.015456 TDE= -0.134131 logGD-logG0= -0.009361 tlogG= -0.006859 logG= -0.016219 Density= 0.139007 ETOT(band)= 0.003287 trlgG= -0.015666 logG= -0.016219 TDE= -0.132718 logGD-logG0= -0.009427 tlogG= -0.006670 logG= -0.016097 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137864 ETOT(band)= 0.001125 trlgG= -0.018133 logG= -0.016097 TDE= -0.134212 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009498 tlogG= -0.005682 logG= -0.015180 Density= 0.133899 ETOT(band)= -0.002610 trlgG= -0.020818 logG= -0.015180 TDE= -0.134013 logGD-logG0= -0.004767 tlogG= -0.002601 logG= -0.007369 Density= 0.065391 ETOT(band)= -0.002499 trlgG= -0.011250 logG= -0.007369 TDE= -0.066574 logGD-logG0= -0.009411 tlogG= -0.006899 logG= -0.016310 Density= 0.137540 ETOT(band)= 0.000654 trlgG= -0.018795 logG= -0.016310 TDE= -0.134351 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009490 tlogG= -0.006182 logG= -0.015672 Density= 0.138611 ETOT(band)= 0.001877 trlgG= -0.016845 logG= -0.015672 TDE= -0.134065 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009517 tlogG= -0.006066 logG= -0.015583 Density= 0.135860 ETOT(band)= -0.001109 trlgG= -0.019784 logG= -0.015583 TDE= -0.134455 logGD-logG0= -0.009391 tlogG= -0.006576 logG= -0.015967 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009581 tlogG= -0.006607 logG= -0.016187 Density= 0.143469 ETOT(band)= 0.007093 trlgG= -0.012199 logG= -0.016187 TDE= -0.133562 Density= 0.137688 ETOT(band)= 0.001365 trlgG= -0.017669 logG= -0.015967 TDE= -0.133710 logGD-logG0= -0.009414 tlogG= -0.006887 logG= -0.016301 Density= 0.138464 ETOT(band)= 0.002021 trlgG= -0.017186 logG= -0.016301 TDE= -0.133637 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009453 tlogG= -0.005663 logG= -0.015117 Density= 0.136911 ETOT(band)= 0.000743 trlgG= -0.017491 logG= -0.015117 TDE= -0.133637 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019403 tlogG= -0.012850 logG= -0.032253 Density= 0.284883 ETOT(band)= 0.008717 trlgG= -0.030195 logG= -0.032253 TDE= -0.271072 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018809 tlogG= -0.013798 logG= -0.032607 Density= 0.275234 ETOT(band)= 0.001920 trlgG= -0.036830 logG= -0.032607 TDE= -0.268102 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009724 tlogG= -0.006556 logG= -0.016280 Density= 0.142967 ETOT(band)= 0.004595 trlgG= -0.015065 logG= -0.016280 TDE= -0.135853 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019019 tlogG= -0.010940 logG= -0.029959 Density= 0.271478 ETOT(band)= -0.001321 trlgG= -0.037445 logG= -0.029959 TDE= -0.267763 logGD-logG0= -0.019170 tlogG= -0.012143 logG= -0.031313 logGD-logG0= -0.018937 tlogG= -0.012196 logG= -0.031133 Density= 0.278259 ETOT(band)= 0.004766 trlgG= -0.032757 logG= -0.031133 TDE= -0.268404 Density= 0.281298 ETOT(band)= 0.007444 trlgG= -0.030257 logG= -0.031313 TDE= -0.268636 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019115 tlogG= -0.010270 logG= -0.029385 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.263908 ETOT(band)= -0.007790 trlgG= -0.043001 logG= -0.029385 TDE= -0.266637 logGD-logG0= -0.019041 tlogG= -0.011546 logG= -0.030587 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.275290 ETOT(band)= 0.001824 trlgG= -0.034916 logG= -0.030587 TDE= -0.268261 logGD-logG0= -0.019456 tlogG= -0.012814 logG= -0.032270 Density= 0.289658 ETOT(band)= 0.015628 trlgG= -0.023166 logG= -0.032270 TDE= -0.268604 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018743 tlogG= -0.013845 logG= -0.032589 logGD-logG0= -0.018919 tlogG= -0.012349 logG= -0.031267 logGD-logG0= -0.018918 tlogG= -0.012048 logG= -0.030966 Density= 0.277948 ETOT(band)= 0.004754 trlgG= -0.032558 logG= -0.030966 TDE= -0.268073 Density= 0.275850 ETOT(band)= 0.003704 trlgG= -0.034629 logG= -0.032589 TDE= -0.266510 Density= 0.278044 ETOT(band)= 0.005143 trlgG= -0.032308 logG= -0.031267 TDE= -0.267614 logGD-logG0= -0.019132 tlogG= -0.010537 logG= -0.029670 Density= 0.278105 ETOT(band)= 0.005341 trlgG= -0.030558 logG= -0.029670 TDE= -0.267519 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000385 tlogG= 0.008618 logG= 0.008233 Density= 0.005720 ETOT(band)= 0.000080 trlgG= 0.008202 logG= 0.008233 TDE= -0.005514 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.018850 tlogG= -0.012427 logG= -0.031278 Density= 0.278846 ETOT(band)= 0.007100 trlgG= -0.030052 logG= -0.031278 TDE= -0.266116 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018843 tlogG= -0.011711 logG= -0.030554 Density= 0.276575 ETOT(band)= 0.004702 trlgG= -0.031996 logG= -0.030554 TDE= -0.266607 logGD-logG0= -0.009524 tlogG= -0.005509 logG= -0.015033 Density= 0.133182 ETOT(band)= -0.003282 trlgG= -0.021277 logG= -0.015033 TDE= -0.133932 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009599 tlogG= -0.004923 logG= -0.014522 Density= 0.130770 ETOT(band)= -0.005058 trlgG= -0.022430 logG= -0.014522 TDE= -0.133283 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009590 tlogG= -0.005236 logG= -0.014826 Density= 0.139969 ETOT(band)= 0.003285 trlgG= -0.014713 logG= -0.014826 TDE= -0.134081 logGD-logG0= -0.019059 tlogG= -0.011784 logG= -0.030843 Density= 0.270262 ETOT(band)= -0.003714 trlgG= -0.040755 logG= -0.030843 TDE= -0.269024 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019270 tlogG= -0.012000 logG= -0.031270 logGD-logG0= -0.019070 tlogG= -0.010607 logG= -0.029677 Density= 0.280059 ETOT(band)= 0.004942 trlgG= -0.032813 logG= -0.031270 TDE= -0.270049 Density= 0.274502 ETOT(band)= 0.002741 trlgG= -0.032960 logG= -0.029677 TDE= -0.266461 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019154 tlogG= -0.010183 logG= -0.029337 Density= 0.267021 ETOT(band)= -0.005557 trlgG= -0.040786 logG= -0.029337 TDE= -0.267453 logGD-logG0= -0.019208 tlogG= -0.011229 logG= -0.030437 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278078 ETOT(band)= 0.004351 trlgG= -0.032383 logG= -0.030437 TDE= -0.268552 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009744 tlogG= -0.006006 logG= -0.015751 Density= 0.144017 ETOT(band)= 0.006785 trlgG= -0.012220 logG= -0.015751 TDE= -0.134545 logGD-logG0= -0.019107 tlogG= -0.010698 logG= -0.029804 Density= 0.272319 ETOT(band)= -0.001086 trlgG= -0.036900 logG= -0.029804 TDE= -0.268181 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009550 tlogG= -0.005319 logG= -0.014869 Density= 0.136915 ETOT(band)= 0.000268 trlgG= -0.017558 logG= -0.014869 TDE= -0.133955 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009532 tlogG= -0.005185 logG= -0.014716 Density= 0.136460 ETOT(band)= -0.000064 trlgG= -0.017646 logG= -0.014716 TDE= -0.133760 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004773 tlogG= -0.002674 logG= -0.007447 Density= 0.068631 ETOT(band)= 0.000246 trlgG= -0.008728 logG= -0.007447 TDE= -0.067081 logGD-logG0= -0.009540 tlogG= -0.005543 logG= -0.015083 Density= 0.135903 ETOT(band)= -0.000908 trlgG= -0.018930 logG= -0.015083 TDE= -0.134143 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002425 tlogG= -0.001875 logG= -0.004300 Density= 0.036995 ETOT(band)= 0.002729 trlgG= -0.002413 logG= -0.004300 TDE= -0.033581 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009286 tlogG= -0.008859 logG= -0.018146 Density= 0.139444 ETOT(band)= 0.004048 trlgG= -0.016711 logG= -0.018146 TDE= -0.132256 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009338 tlogG= -0.007797 logG= -0.017135 Density= 0.138587 ETOT(band)= 0.003238 trlgG= -0.016445 logG= -0.017135 TDE= -0.132181 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002323 tlogG= -0.002356 logG= -0.004679 Density= 0.034884 ETOT(band)= 0.001030 trlgG= -0.004334 logG= -0.004679 TDE= -0.033100 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002371 tlogG= -0.001979 logG= -0.004350 Density= 0.035803 ETOT(band)= 0.001853 trlgG= -0.003209 logG= -0.004350 TDE= -0.033184 logGD-logG0= -0.009351 tlogG= -0.008472 logG= -0.017822 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.140867 ETOT(band)= 0.005398 trlgG= -0.015184 logG= -0.017822 TDE= -0.132417 logGD-logG0= -0.009636 tlogG= -0.007213 logG= -0.016849 Density= 0.144880 ETOT(band)= 0.008741 trlgG= -0.011121 logG= -0.016849 TDE= -0.133175 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009403 tlogG= -0.007366 logG= -0.016768 Density= 0.140976 ETOT(band)= 0.005573 trlgG= -0.014004 logG= -0.016768 TDE= -0.132396 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009383 tlogG= -0.007452 logG= -0.016836 Density= 0.137594 ETOT(band)= 0.001994 trlgG= -0.017534 logG= -0.016836 TDE= -0.132617 logGD-logG0= -0.004661 tlogG= -0.004042 logG= -0.008703 Density= 0.069944 ETOT(band)= 0.002323 trlgG= -0.007713 logG= -0.008703 TDE= -0.066069 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009319 tlogG= -0.008024 logG= -0.017343 Density= 0.138853 ETOT(band)= 0.003618 trlgG= -0.016328 logG= -0.017343 TDE= -0.132109 logGD-logG0= -0.009442 tlogG= -0.006399 logG= -0.015841 Density= 0.137471 ETOT(band)= 0.002068 trlgG= -0.016765 logG= -0.015841 TDE= -0.132724 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009391 tlogG= -0.006929 logG= -0.016321 Density= 0.139354 ETOT(band)= 0.004271 trlgG= -0.014760 logG= -0.016321 TDE= -0.132044 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009554 tlogG= -0.005368 logG= -0.014923 Density= 0.133871 ETOT(band)= -0.001458 trlgG= -0.019333 logG= -0.014923 TDE= -0.132758 logGD-logG0= -0.018683 tlogG= -0.015844 logG= -0.034527 Density= 0.280407 ETOT(band)= 0.009785 trlgG= -0.030094 logG= -0.034527 TDE= -0.264406 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009588 tlogG= -0.005062 logG= -0.014650 Density= 0.130573 ETOT(band)= -0.004536 trlgG= -0.022014 logG= -0.014650 TDE= -0.132549 logGD-logG0= -0.004752 tlogG= -0.002844 logG= -0.007597 Density= 0.068459 ETOT(band)= 0.001013 trlgG= -0.008030 logG= -0.007597 TDE= -0.066068 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009753 tlogG= -0.006748 logG= -0.016502 Density= 0.145835 ETOT(band)= 0.009272 trlgG= -0.010558 logG= -0.016502 TDE= -0.133875 logGD-logG0= -0.009285 tlogG= -0.009088 logG= -0.018373 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.139638 ETOT(band)= 0.004239 trlgG= -0.016817 logG= -0.018373 TDE= -0.132321 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019021 tlogG= -0.013309 logG= -0.032330 Density= 0.284625 ETOT(band)= 0.013336 trlgG= -0.024981 logG= -0.032330 TDE= -0.265534 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009447 tlogG= -0.007565 logG= -0.017012 Density= 0.142464 ETOT(band)= 0.006873 trlgG= -0.012963 logG= -0.017012 TDE= -0.132538 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018793 tlogG= -0.014065 logG= -0.032858 Density= 0.277570 ETOT(band)= 0.006938 trlgG= -0.031255 logG= -0.032858 TDE= -0.264516 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009615 tlogG= -0.005730 logG= -0.015345 logGD-logG0= -0.018960 tlogG= -0.011777 logG= -0.030737 Density= 0.141438 ETOT(band)= 0.005732 trlgG= -0.012780 logG= -0.015345 TDE= -0.133038 Density= 0.277038 ETOT(band)= 0.006671 trlgG= -0.029982 logG= -0.030737 TDE= -0.264853 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009427 tlogG= -0.006704 logG= -0.016130 Density= 0.140803 ETOT(band)= 0.005650 trlgG= -0.013392 logG= -0.016130 TDE= -0.132255 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003085 tlogG= 0.069071 logG= 0.065985 Density= 0.045872 ETOT(band)= 0.000764 trlgG= 0.065850 logG= 0.065985 TDE= -0.044115 logGD-logG0= -0.003115 tlogG= 0.069754 logG= 0.066639 Density= 0.046286 ETOT(band)= 0.001178 trlgG= 0.066956 logG= 0.066639 TDE= -0.044060 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003096 tlogG= 0.069356 logG= 0.066260 Density= 0.046218 ETOT(band)= 0.001081 trlgG= 0.066465 logG= 0.066260 TDE= -0.044106 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009282 tlogG= 0.208088 logG= 0.198806 Density= 0.138626 ETOT(band)= 0.003275 trlgG= 0.199370 logG= 0.198806 TDE= -0.132343 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004633 tlogG= 0.103861 logG= 0.099229 Density= 0.069171 ETOT(band)= 0.001473 trlgG= 0.099374 logG= 0.099229 TDE= -0.066172 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009319 tlogG= 0.208789 logG= 0.199469 Density= 0.139121 ETOT(band)= 0.003795 trlgG= 0.200584 logG= 0.199469 TDE= -0.132267 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002314 tlogG= 0.051823 logG= 0.049508 Density= 0.034466 ETOT(band)= 0.000622 trlgG= 0.049463 logG= 0.049508 TDE= -0.033090 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 5.06895029837232 eV TrLogG= -13.6318244482720 eV Ratio to renormalize= 0.999999999815 rho-rho_expected= 0.000000002959 nargs= 1 argi=dmft2.def 10) Finished k-point number 11 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 31) Finished k-point number 32 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 99) Finished k-point number 100 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 90) Finished k-point number 91 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 86) Finished k-point number 87 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 79) Finished k-point number 80 1 with #bands= 20 74) Finished k-point number 75 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 57) Finished k-point number 58 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930813064673576 0.927327780187040 7) Finished k-point number 8 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 6) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 100) Finished k-point number 101 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 44) Finished k-point number 45 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0443725066984 Density= 16.0049398934046 16.0000000000000 EF 12.7722586745848 Density= 15.3890789909401 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95874378 0.93874378 0.493989E-02 -0.610921 1 0.95858336 0.93874378 0.666338E-03 -0.610921 2 0.95855837 0.95858336 -0.660690E-07 0.666338E-03 3 0.95855838 0.95855837 0.106475E-10 -0.660690E-07 Absolute convergence of |F(X)|. Difference in EF= -0.0025225753 EF set to : 13.0418499314 new EF (no-mixing): 13.0418499314 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001203 tlogG= -0.001250 logG= -0.002453 Density= 0.018987 ETOT(band)= 0.001284 trlgG= -0.001603 logG= -0.002453 TDE= -0.017350 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002398 tlogG= -0.002405 logG= -0.004803 Density= 0.037925 ETOT(band)= 0.002663 trlgG= -0.003012 logG= -0.004803 TDE= -0.034562 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009600 tlogG= -0.009538 logG= -0.019138 Density= 0.151796 ETOT(band)= 0.010527 trlgG= -0.012084 logG= -0.019138 TDE= -0.138452 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004796 tlogG= -0.004621 logG= -0.009416 Density= 0.075873 ETOT(band)= 0.005344 trlgG= -0.005810 logG= -0.009416 TDE= -0.069122 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002403 tlogG= -0.002081 logG= -0.004484 Density= 0.037495 ETOT(band)= 0.002717 trlgG= -0.002683 logG= -0.004484 TDE= -0.034140 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009631 tlogG= -0.008678 logG= -0.018309 Density= 0.150914 ETOT(band)= 0.011043 trlgG= -0.010872 logG= -0.018309 TDE= -0.137223 logGD-logG0= -0.004816 tlogG= -0.004199 logG= -0.009015 Density= 0.075549 ETOT(band)= 0.005395 trlgG= -0.005422 logG= -0.009015 TDE= -0.068825 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001569 tlogG= -0.001326 logG= -0.002895 logGD-logG0= -0.009650 tlogG= -0.006703 logG= -0.016353 Density= 0.143704 ETOT(band)= 0.005149 trlgG= -0.014595 logG= -0.016353 TDE= -0.135991 Density= 0.022788 ETOT(band)= -0.000103 trlgG= -0.003471 logG= -0.002895 TDE= -0.022420 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009627 tlogG= -0.008072 logG= -0.017698 Density= 0.150717 ETOT(band)= 0.010965 trlgG= -0.010320 logG= -0.017698 TDE= -0.137092 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009642 tlogG= -0.008811 logG= -0.018453 Density= 0.151340 ETOT(band)= 0.011013 trlgG= -0.011005 logG= -0.018453 TDE= -0.137620 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009601 tlogG= -0.007813 logG= -0.017414 Density= 0.150116 ETOT(band)= 0.011415 trlgG= -0.009548 logG= -0.017414 TDE= -0.136029 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019229 tlogG= -0.014803 logG= -0.034033 Density= 0.299607 ETOT(band)= 0.021950 trlgG= -0.019054 logG= -0.034033 TDE= -0.272212 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019252 tlogG= -0.015920 logG= -0.035172 Density= 0.301576 ETOT(band)= 0.021842 trlgG= -0.020508 logG= -0.035172 TDE= -0.274414 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009640 tlogG= -0.006652 logG= -0.016292 Density= 0.147442 ETOT(band)= 0.008930 trlgG= -0.010832 logG= -0.016292 TDE= -0.135871 logGD-logG0= -0.004795 tlogG= -0.003574 logG= -0.008369 Density= 0.074855 ETOT(band)= 0.005238 trlgG= -0.004850 logG= -0.008369 TDE= -0.068235 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003086 tlogG= -0.002618 logG= -0.005704 Density= 0.045890 ETOT(band)= 0.000695 trlgG= -0.005842 logG= -0.005704 TDE= -0.044126 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003132 tlogG= -0.002544 logG= -0.005676 Density= 0.045403 ETOT(band)= -0.000203 trlgG= -0.006865 logG= -0.005676 TDE= -0.044711 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009408 tlogG= -0.007503 logG= -0.016911 Density= 0.136813 ETOT(band)= -0.000294 trlgG= -0.020204 logG= -0.016911 TDE= -0.134437 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003114 tlogG= -0.002569 logG= -0.005683 Density= 0.045627 ETOT(band)= 0.000196 trlgG= -0.006399 logG= -0.005683 TDE= -0.044452 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009401 tlogG= -0.007421 logG= -0.016821 Density= 0.136686 ETOT(band)= -0.000237 trlgG= -0.020071 logG= -0.016821 TDE= -0.134272 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009386 tlogG= -0.007343 logG= -0.016729 Density= 0.136726 ETOT(band)= 0.000149 trlgG= -0.019561 logG= -0.016729 TDE= -0.133892 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009329 tlogG= -0.007408 logG= -0.016738 Density= 0.137366 ETOT(band)= 0.001424 trlgG= -0.018044 logG= -0.016738 TDE= -0.132979 logGD-logG0= -0.009418 tlogG= -0.006705 logG= -0.016123 Density= 0.137927 ETOT(band)= 0.001084 trlgG= -0.018163 logG= -0.016123 TDE= -0.134252 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009390 tlogG= -0.006571 logG= -0.015961 Density= 0.137696 ETOT(band)= 0.001347 trlgG= -0.017677 logG= -0.015961 TDE= -0.133706 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009644 tlogG= -0.007577 logG= -0.017221 Density= 0.149156 ETOT(band)= 0.011282 trlgG= -0.009465 logG= -0.017221 TDE= -0.135219 logGD-logG0= -0.009706 tlogG= -0.007165 logG= -0.016871 Density= 0.147792 ETOT(band)= 0.009643 trlgG= -0.010728 logG= -0.016871 TDE= -0.135524 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009676 tlogG= -0.006554 logG= -0.016230 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.142363 ETOT(band)= 0.004512 trlgG= -0.014990 logG= -0.016230 TDE= -0.135222 logGD-logG0= -0.009427 tlogG= -0.006672 logG= -0.016099 Density= 0.137868 ETOT(band)= 0.001105 trlgG= -0.018152 logG= -0.016099 TDE= -0.134208 logGD-logG0= -0.009472 tlogG= -0.005986 logG= -0.015458 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138058 ETOT(band)= 0.001330 trlgG= -0.017248 logG= -0.015458 TDE= -0.134126 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009513 tlogG= -0.006400 logG= -0.015913 Density= 0.140218 ETOT(band)= 0.003636 trlgG= -0.015284 logG= -0.015913 TDE= -0.133778 logGD-logG0= -0.009364 tlogG= -0.007376 logG= -0.016740 logGD-logG0= -0.009414 tlogG= -0.006887 logG= -0.016301 Density= 0.138468 ETOT(band)= 0.002000 trlgG= -0.017204 logG= -0.016301 TDE= -0.133633 Density= 0.136945 ETOT(band)= 0.000544 trlgG= -0.019089 logG= -0.016740 TDE= -0.133619 logGD-logG0= -0.004754 tlogG= -0.003124 logG= -0.007878 Density= 0.067627 ETOT(band)= -0.001038 trlgG= -0.010453 logG= -0.007878 TDE= -0.067400 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009410 tlogG= -0.006901 logG= -0.016312 Density= 0.137545 ETOT(band)= 0.000634 trlgG= -0.018813 logG= -0.016312 TDE= -0.134347 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009452 tlogG= -0.005662 logG= -0.015114 Density= 0.136912 ETOT(band)= 0.000718 trlgG= -0.017509 logG= -0.015114 TDE= -0.133633 logGD-logG0= -0.009360 tlogG= -0.006861 logG= -0.016221 Density= 0.139009 ETOT(band)= 0.003264 trlgG= -0.015687 logG= -0.016221 TDE= -0.132714 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009490 tlogG= -0.006183 logG= -0.015672 Density= 0.138609 ETOT(band)= 0.001852 trlgG= -0.016867 logG= -0.015672 TDE= -0.134060 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009580 tlogG= -0.006606 logG= -0.016187 logGD-logG0= -0.009497 tlogG= -0.005683 logG= -0.015181 Density= 0.133906 ETOT(band)= -0.002629 trlgG= -0.020834 logG= -0.015181 TDE= -0.134009 Density= 0.143466 ETOT(band)= 0.007066 trlgG= -0.012223 logG= -0.016187 TDE= -0.133557 logGD-logG0= -0.004766 tlogG= -0.002598 logG= -0.007364 logGD-logG0= -0.009517 tlogG= -0.006068 logG= -0.015584 Density= 0.135864 ETOT(band)= -0.001129 trlgG= -0.019802 logG= -0.015584 TDE= -0.134451 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.065391 ETOT(band)= -0.002511 trlgG= -0.011256 logG= -0.007364 TDE= -0.066572 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019401 tlogG= -0.012853 logG= -0.032254 Density= 0.284845 ETOT(band)= 0.008633 trlgG= -0.030274 logG= -0.032254 TDE= -0.271061 logGD-logG0= -0.019022 tlogG= -0.010949 logG= -0.029971 Density= 0.271480 ETOT(band)= -0.001364 trlgG= -0.037496 logG= -0.029971 TDE= -0.267755 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018809 tlogG= -0.013803 logG= -0.032612 Density= 0.275253 ETOT(band)= 0.001888 trlgG= -0.036860 logG= -0.032612 TDE= -0.268094 logGD-logG0= -0.009723 tlogG= -0.006557 logG= -0.016280 Density= 0.142944 ETOT(band)= 0.004550 trlgG= -0.015107 logG= -0.016280 TDE= -0.135847 logGD-logG0= -0.019116 tlogG= -0.010274 logG= -0.029390 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.263874 ETOT(band)= -0.007869 trlgG= -0.043080 logG= -0.029390 TDE= -0.266629 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018917 tlogG= -0.012047 logG= -0.030965 Density= 0.277953 ETOT(band)= 0.004709 trlgG= -0.032595 logG= -0.030965 TDE= -0.268064 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019168 tlogG= -0.012147 logG= -0.031315 Density= 0.281290 ETOT(band)= 0.007389 trlgG= -0.030308 logG= -0.031315 TDE= -0.268626 logGD-logG0= -0.018936 tlogG= -0.012200 logG= -0.031136 Density= 0.278257 ETOT(band)= 0.004715 trlgG= -0.032805 logG= -0.031136 TDE= -0.268395 logGD-logG0= -0.019039 tlogG= -0.011547 logG= -0.030587 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.275286 ETOT(band)= 0.001771 trlgG= -0.034961 logG= -0.030587 TDE= -0.268252 logGD-logG0= -0.018740 tlogG= -0.013845 logG= -0.032585 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.275866 ETOT(band)= 0.003666 trlgG= -0.034654 logG= -0.032585 TDE= -0.266503 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018918 tlogG= -0.012348 logG= -0.031266 logGD-logG0= -0.018850 tlogG= -0.012431 logG= -0.031281 Density= 0.278843 ETOT(band)= 0.007049 trlgG= -0.030101 logG= -0.031281 TDE= -0.266107 Density= 0.278042 ETOT(band)= 0.005093 trlgG= -0.032352 logG= -0.031266 TDE= -0.267605 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019057 tlogG= -0.011784 logG= -0.030840 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019455 tlogG= -0.012815 logG= -0.032270 Density= 0.289646 ETOT(band)= 0.015567 trlgG= -0.023221 logG= -0.032270 TDE= -0.268593 Density= 0.270276 ETOT(band)= -0.003751 trlgG= -0.040782 logG= -0.030840 TDE= -0.269016 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000385 tlogG= 0.008616 logG= 0.008231 Density= 0.005720 ETOT(band)= 0.000079 trlgG= 0.008200 logG= 0.008231 TDE= -0.005514 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.018841 tlogG= -0.011742 logG= -0.030583 Density= 0.276565 ETOT(band)= 0.004641 trlgG= -0.032079 logG= -0.030583 TDE= -0.266599 logGD-logG0= -0.009598 tlogG= -0.004927 logG= -0.014525 Density= 0.130742 ETOT(band)= -0.005107 trlgG= -0.022480 logG= -0.014525 TDE= -0.133279 logGD-logG0= -0.009523 tlogG= -0.005509 logG= -0.015032 Density= 0.133184 ETOT(band)= -0.003305 trlgG= -0.021296 logG= -0.015032 TDE= -0.133929 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019206 tlogG= -0.011230 logG= -0.030436 logGD-logG0= -0.019131 tlogG= -0.010536 logG= -0.029667 Density= 0.278035 ETOT(band)= 0.004262 trlgG= -0.032465 logG= -0.030436 TDE= -0.268543 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278050 ETOT(band)= 0.005240 trlgG= -0.030650 logG= -0.029667 TDE= -0.267510 logGD-logG0= -0.019268 tlogG= -0.012001 logG= -0.031269 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.280036 ETOT(band)= 0.004871 trlgG= -0.032877 logG= -0.031269 TDE= -0.270038 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019107 tlogG= -0.010705 logG= -0.029812 Density= 0.272324 ETOT(band)= -0.001129 trlgG= -0.036946 logG= -0.029812 TDE= -0.268172 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019072 tlogG= -0.010618 logG= -0.029691 logGD-logG0= -0.019156 tlogG= -0.010181 logG= -0.029337 Density= 0.266950 ETOT(band)= -0.005673 trlgG= -0.040894 logG= -0.029337 TDE= -0.267445 logGD-logG0= -0.009532 tlogG= -0.005186 logG= -0.014718 Density= 0.274474 ETOT(band)= 0.002670 trlgG= -0.033043 logG= -0.029691 TDE= -0.266451 Density= 0.136456 ETOT(band)= -0.000092 trlgG= -0.017673 logG= -0.014718 TDE= -0.133756 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009593 tlogG= -0.005238 logG= -0.014831 Density= 0.139971 ETOT(band)= 0.003265 trlgG= -0.014737 logG= -0.014831 TDE= -0.134076 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009744 tlogG= -0.006006 logG= -0.015750 Density= 0.144010 ETOT(band)= 0.006755 trlgG= -0.012247 logG= -0.015750 TDE= -0.134539 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009540 tlogG= -0.005544 logG= -0.015083 Density= 0.135907 ETOT(band)= -0.000928 trlgG= -0.018948 logG= -0.015083 TDE= -0.134139 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009550 tlogG= -0.005320 logG= -0.014870 Density= 0.136912 ETOT(band)= 0.000241 trlgG= -0.017583 logG= -0.014870 TDE= -0.133951 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004773 tlogG= -0.002675 logG= -0.007448 Density= 0.068633 ETOT(band)= 0.000235 trlgG= -0.008738 logG= -0.007448 TDE= -0.067078 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002425 tlogG= -0.001875 logG= -0.004300 Density= 0.036997 ETOT(band)= 0.002726 trlgG= -0.002416 logG= -0.004300 TDE= -0.033580 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009286 tlogG= -0.008860 logG= -0.018146 Density= 0.139448 ETOT(band)= 0.004027 trlgG= -0.016730 logG= -0.018146 TDE= -0.132253 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002323 tlogG= -0.002356 logG= -0.004679 Density= 0.034885 ETOT(band)= 0.001024 trlgG= -0.004338 logG= -0.004679 TDE= -0.033099 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009384 tlogG= -0.007456 logG= -0.016840 Density= 0.137602 ETOT(band)= 0.001976 trlgG= -0.017555 logG= -0.016840 TDE= -0.132614 logGD-logG0= -0.009337 tlogG= -0.007797 logG= -0.017134 Density= 0.138593 ETOT(band)= 0.003218 trlgG= -0.016462 logG= -0.017134 TDE= -0.132178 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009351 tlogG= -0.008473 logG= -0.017824 Density= 0.140868 ETOT(band)= 0.005374 trlgG= -0.015206 logG= -0.017824 TDE= -0.132413 logGD-logG0= -0.002371 tlogG= -0.001979 logG= -0.004350 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.035802 ETOT(band)= 0.001846 trlgG= -0.003215 logG= -0.004350 TDE= -0.033183 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009635 tlogG= -0.007213 logG= -0.016849 Density= 0.144878 ETOT(band)= 0.008715 trlgG= -0.011144 logG= -0.016849 TDE= -0.133170 logGD-logG0= -0.009319 tlogG= -0.008025 logG= -0.017344 Density= 0.138858 ETOT(band)= 0.003597 trlgG= -0.016347 logG= -0.017344 TDE= -0.132106 logGD-logG0= -0.009402 tlogG= -0.007366 logG= -0.016768 Density= 0.140975 ETOT(band)= 0.005547 trlgG= -0.014027 logG= -0.016768 TDE= -0.132392 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009391 tlogG= -0.006926 logG= -0.016317 Density= 0.139359 ETOT(band)= 0.004251 trlgG= -0.014774 logG= -0.016317 TDE= -0.132041 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004660 tlogG= -0.004042 logG= -0.008703 Density= 0.069946 ETOT(band)= 0.002311 trlgG= -0.007723 logG= -0.008703 TDE= -0.066067 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009441 tlogG= -0.006400 logG= -0.015841 Density= 0.137479 ETOT(band)= 0.002049 trlgG= -0.016780 logG= -0.015841 TDE= -0.132720 logGD-logG0= -0.009555 tlogG= -0.005372 logG= -0.014927 Density= 0.133872 ETOT(band)= -0.001479 trlgG= -0.019358 logG= -0.014927 TDE= -0.132755 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018682 tlogG= -0.015845 logG= -0.034528 Density= 0.280411 ETOT(band)= 0.009738 trlgG= -0.030136 logG= -0.034528 TDE= -0.264398 logGD-logG0= -0.004753 tlogG= -0.002846 logG= -0.007599 Density= 0.068462 ETOT(band)= 0.001004 trlgG= -0.008040 logG= -0.007599 TDE= -0.066066 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009285 tlogG= -0.009089 logG= -0.018374 Density= 0.139642 ETOT(band)= 0.004217 trlgG= -0.016837 logG= -0.018374 TDE= -0.132317 logGD-logG0= -0.009753 tlogG= -0.006748 logG= -0.016500 Density= 0.145838 ETOT(band)= 0.009251 trlgG= -0.010576 logG= -0.016500 TDE= -0.133870 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019021 tlogG= -0.013310 logG= -0.032331 Density= 0.284615 ETOT(band)= 0.013278 trlgG= -0.025035 logG= -0.032331 TDE= -0.265524 logGD-logG0= -0.009447 tlogG= -0.007565 logG= -0.017012 Density= 0.142462 ETOT(band)= 0.006846 trlgG= -0.012988 logG= -0.017012 TDE= -0.132534 logGD-logG0= -0.009586 tlogG= -0.005064 logG= -0.014650 Density= 0.130545 ETOT(band)= -0.004586 trlgG= -0.022060 logG= -0.014650 TDE= -0.132546 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018793 tlogG= -0.014068 logG= -0.032862 Density= 0.277578 ETOT(band)= 0.006896 trlgG= -0.031296 logG= -0.032862 TDE= -0.264509 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009614 tlogG= -0.005730 logG= -0.015345 Density= 0.141425 ETOT(band)= 0.005696 trlgG= -0.012813 logG= -0.015345 TDE= -0.133032 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018959 tlogG= -0.011779 logG= -0.030739 Density= 0.277036 ETOT(band)= 0.006620 trlgG= -0.030028 logG= -0.030739 TDE= -0.264845 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009428 tlogG= -0.006707 logG= -0.016134 Density= 0.140801 ETOT(band)= 0.005625 trlgG= -0.013419 logG= -0.016134 TDE= -0.132251 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003096 tlogG= 0.069342 logG= 0.066246 Density= 0.046221 ETOT(band)= 0.001075 trlgG= 0.066446 logG= 0.066246 TDE= -0.044105 logGD-logG0= -0.003115 tlogG= 0.069740 logG= 0.066625 Density= 0.046288 ETOT(band)= 0.001172 trlgG= 0.066936 logG= 0.066625 TDE= -0.044059 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003085 tlogG= 0.069056 logG= 0.065971 Density= 0.045875 ETOT(band)= 0.000758 trlgG= 0.065831 logG= 0.065971 TDE= -0.044114 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009319 tlogG= 0.208746 logG= 0.199428 Density= 0.139126 ETOT(band)= 0.003774 trlgG= 0.200525 logG= 0.199428 TDE= -0.132263 logGD-logG0= -0.009282 tlogG= 0.208045 logG= 0.198763 Density= 0.138633 ETOT(band)= 0.003256 trlgG= 0.199310 logG= 0.198763 TDE= -0.132340 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004632 tlogG= 0.103840 logG= 0.099208 Density= 0.069175 ETOT(band)= 0.001463 trlgG= 0.099345 logG= 0.099208 TDE= -0.066171 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002314 tlogG= 0.051812 logG= 0.049497 Density= 0.034468 ETOT(band)= 0.000618 trlgG= 0.049448 logG= 0.049497 TDE= -0.033089 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 5.03092429040098 eV TrLogG= -13.6684766874284 eV Ratio to renormalize= 0.999999999728 rho-rho_expected= 0.000000004352 nargs= 1 argi=dmft2.def 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 89) Finished k-point number 90 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 93) Finished k-point number 94 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 102) Finished k-point number 103 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 62) Finished k-point number 63 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 60) Finished k-point number 61 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 57) Finished k-point number 58 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930846284892150 0.927455887666707 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 31) Finished k-point number 32 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 45) Finished k-point number 46 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 34) Finished k-point number 35 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0418499313768 Density= 16.0104270095395 16.0000000000000 EF 12.7697360992632 Density= 15.3976727432425 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95855838 0.93855838 0.104270E-01 -0.602327 1 0.95821804 0.93855838 0.139117E-02 -0.602327 2 0.95816577 0.95821804 -0.277748E-06 0.139117E-02 3 0.95816578 0.95816577 0.936602E-10 -0.277748E-06 Absolute convergence of |F(X)|. Difference in EF= -0.0053415878 EF set to : 13.0365083436 new EF (no-mixing): 13.0365083436 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001203 tlogG= -0.001249 logG= -0.002452 Density= 0.018991 ETOT(band)= 0.001281 trlgG= -0.001604 logG= -0.002452 TDE= -0.017348 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009599 tlogG= -0.009535 logG= -0.019134 Density= 0.151828 ETOT(band)= 0.010506 trlgG= -0.012094 logG= -0.019134 TDE= -0.138436 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002398 tlogG= -0.002405 logG= -0.004803 Density= 0.037933 ETOT(band)= 0.002658 trlgG= -0.003014 logG= -0.004803 TDE= -0.034558 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004795 tlogG= -0.004620 logG= -0.009415 Density= 0.075889 ETOT(band)= 0.005334 trlgG= -0.005815 logG= -0.009415 TDE= -0.069114 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002402 tlogG= -0.002081 logG= -0.004483 Density= 0.037506 ETOT(band)= 0.002715 trlgG= -0.002683 logG= -0.004483 TDE= -0.034136 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001569 tlogG= -0.001326 logG= -0.002895 Density= 0.022791 ETOT(band)= -0.000109 trlgG= -0.003476 logG= -0.002895 TDE= -0.022419 logGD-logG0= -0.004815 tlogG= -0.004198 logG= -0.009013 Density= 0.075567 ETOT(band)= 0.005386 trlgG= -0.005425 logG= -0.009013 TDE= -0.068817 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009649 tlogG= -0.006701 logG= -0.016351 Density= 0.143655 ETOT(band)= 0.005053 trlgG= -0.014682 logG= -0.016351 TDE= -0.135977 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009625 tlogG= -0.008070 logG= -0.017696 Density= 0.150755 ETOT(band)= 0.010951 trlgG= -0.010325 logG= -0.017696 TDE= -0.137077 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009629 tlogG= -0.008676 logG= -0.018306 Density= 0.150951 ETOT(band)= 0.011028 trlgG= -0.010877 logG= -0.018306 TDE= -0.137208 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009600 tlogG= -0.007812 logG= -0.017412 Density= 0.150155 ETOT(band)= 0.011402 trlgG= -0.009553 logG= -0.017412 TDE= -0.136015 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009641 tlogG= -0.008809 logG= -0.018450 Density= 0.151375 ETOT(band)= 0.010995 trlgG= -0.011012 logG= -0.018450 TDE= -0.137605 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019250 tlogG= -0.015918 logG= -0.035168 Density= 0.301650 ETOT(band)= 0.021812 trlgG= -0.020521 logG= -0.035168 TDE= -0.274384 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019228 tlogG= -0.014800 logG= -0.034027 Density= 0.299682 ETOT(band)= 0.021921 trlgG= -0.019066 logG= -0.034027 TDE= -0.272184 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009639 tlogG= -0.006650 logG= -0.016290 Density= 0.147459 ETOT(band)= 0.008897 trlgG= -0.010857 logG= -0.016290 TDE= -0.135858 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004795 tlogG= -0.003573 logG= -0.008367 Density= 0.074869 ETOT(band)= 0.005225 trlgG= -0.004858 logG= -0.008367 TDE= -0.068228 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003086 tlogG= -0.002619 logG= -0.005705 Density= 0.045895 ETOT(band)= 0.000682 trlgG= -0.005854 logG= -0.005705 TDE= -0.044124 logGD-logG0= -0.003132 tlogG= -0.002545 logG= -0.005676 Density= 0.045410 ETOT(band)= -0.000214 trlgG= -0.006875 logG= -0.005676 TDE= -0.044709 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009408 tlogG= -0.007510 logG= -0.016918 Density= 0.136831 ETOT(band)= -0.000329 trlgG= -0.020240 logG= -0.016918 TDE= -0.134429 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009399 tlogG= -0.007422 logG= -0.016822 logGD-logG0= -0.003114 tlogG= -0.002570 logG= -0.005684 Density= 0.045633 ETOT(band)= 0.000184 trlgG= -0.006410 logG= -0.005684 TDE= -0.044449 Density= 0.136706 ETOT(band)= -0.000271 trlgG= -0.020099 logG= -0.016822 TDE= -0.134264 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009386 tlogG= -0.007347 logG= -0.016733 Density= 0.136744 ETOT(band)= 0.000114 trlgG= -0.019594 logG= -0.016733 TDE= -0.133884 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009417 tlogG= -0.006707 logG= -0.016123 Density= 0.137937 ETOT(band)= 0.001041 trlgG= -0.018199 logG= -0.016123 TDE= -0.134242 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009329 tlogG= -0.007412 logG= -0.016742 Density= 0.137381 ETOT(band)= 0.001387 trlgG= -0.018080 logG= -0.016742 TDE= -0.132973 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009674 tlogG= -0.006555 logG= -0.016229 Density= 0.142327 ETOT(band)= 0.004429 trlgG= -0.015065 logG= -0.016229 TDE= -0.135210 logGD-logG0= -0.009643 tlogG= -0.007575 logG= -0.017218 Density= 0.149191 ETOT(band)= 0.011265 trlgG= -0.009474 logG= -0.017218 TDE= -0.135205 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009705 tlogG= -0.007163 logG= -0.016868 Density= 0.147813 ETOT(band)= 0.009614 trlgG= -0.010749 logG= -0.016868 TDE= -0.135510 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009512 tlogG= -0.006400 logG= -0.015912 Density= 0.140206 ETOT(band)= 0.003575 trlgG= -0.015339 logG= -0.015912 TDE= -0.133767 logGD-logG0= -0.009390 tlogG= -0.006575 logG= -0.015965 Density= 0.137709 ETOT(band)= 0.001309 trlgG= -0.017714 logG= -0.015965 TDE= -0.133697 logGD-logG0= -0.009364 tlogG= -0.007379 logG= -0.016743 Density= 0.136963 ETOT(band)= 0.000509 trlgG= -0.019122 logG= -0.016743 TDE= -0.133611 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004753 tlogG= -0.003127 logG= -0.007880 Density= 0.067640 ETOT(band)= -0.001051 trlgG= -0.010466 logG= -0.007880 TDE= -0.067396 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009414 tlogG= -0.006890 logG= -0.016303 Density= 0.138477 ETOT(band)= 0.001957 trlgG= -0.017244 logG= -0.016303 TDE= -0.133624 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009426 tlogG= -0.006674 logG= -0.016099 Density= 0.137878 ETOT(band)= 0.001063 trlgG= -0.018187 logG= -0.016099 TDE= -0.134198 logGD-logG0= -0.009578 tlogG= -0.006606 logG= -0.016185 logGD-logG0= -0.009472 tlogG= -0.005986 logG= -0.015458 Density= 0.138058 ETOT(band)= 0.001279 trlgG= -0.017292 logG= -0.015458 TDE= -0.134116 Density= 0.143450 ETOT(band)= 0.007000 trlgG= -0.012281 logG= -0.016185 TDE= -0.133545 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009496 tlogG= -0.005686 logG= -0.015182 Density= 0.133924 ETOT(band)= -0.002663 trlgG= -0.020863 logG= -0.015182 TDE= -0.134002 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009360 tlogG= -0.006862 logG= -0.016222 Density= 0.139014 ETOT(band)= 0.003217 trlgG= -0.015728 logG= -0.016222 TDE= -0.132705 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004767 tlogG= -0.002601 logG= -0.007367 Density= 0.065389 ETOT(band)= -0.002538 trlgG= -0.011283 logG= -0.007367 TDE= -0.066569 logGD-logG0= -0.009452 tlogG= -0.005666 logG= -0.015118 Density= 0.136915 ETOT(band)= 0.000671 trlgG= -0.017555 logG= -0.015118 TDE= -0.133624 logGD-logG0= -0.009517 tlogG= -0.006073 logG= -0.015589 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.135881 ETOT(band)= -0.001163 trlgG= -0.019836 logG= -0.015589 TDE= -0.134443 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009410 tlogG= -0.006903 logG= -0.016313 Density= 0.137559 ETOT(band)= 0.000596 trlgG= -0.018846 logG= -0.016313 TDE= -0.134337 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009488 tlogG= -0.006183 logG= -0.015671 Density= 0.138606 ETOT(band)= 0.001798 trlgG= -0.016914 logG= -0.015671 TDE= -0.134050 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009721 tlogG= -0.006558 logG= -0.016279 Density= 0.142897 ETOT(band)= 0.004455 trlgG= -0.015194 logG= -0.016279 TDE= -0.135834 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019396 tlogG= -0.012855 logG= -0.032251 Density= 0.284766 ETOT(band)= 0.008460 trlgG= -0.030433 logG= -0.032251 TDE= -0.271035 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018810 tlogG= -0.013808 logG= -0.032618 Density= 0.275274 ETOT(band)= 0.001808 trlgG= -0.036936 logG= -0.032618 TDE= -0.268076 logGD-logG0= -0.019017 tlogG= -0.010946 logG= -0.029963 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.271445 ETOT(band)= -0.001502 trlgG= -0.037609 logG= -0.029963 TDE= -0.267736 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000385 tlogG= 0.008612 logG= 0.008227 Density= 0.005721 ETOT(band)= 0.000078 trlgG= 0.008194 logG= 0.008227 TDE= -0.005514 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019039 tlogG= -0.011553 logG= -0.030592 Density= 0.275262 ETOT(band)= 0.001649 trlgG= -0.035076 logG= -0.030592 TDE= -0.268231 logGD-logG0= -0.018916 tlogG= -0.012353 logG= -0.031269 Density= 0.278042 ETOT(band)= 0.004991 trlgG= -0.032444 logG= -0.031269 TDE= -0.267585 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018934 tlogG= -0.012201 logG= -0.031135 logGD-logG0= -0.019167 tlogG= -0.012147 logG= -0.031314 Density= 0.278257 ETOT(band)= 0.004614 trlgG= -0.032893 logG= -0.031135 TDE= -0.268374 Density= 0.281233 ETOT(band)= 0.007238 trlgG= -0.030449 logG= -0.031314 TDE= -0.268603 logGD-logG0= -0.018850 tlogG= -0.012433 logG= -0.031282 Density= 0.278838 ETOT(band)= 0.006943 trlgG= -0.030196 logG= -0.031282 TDE= -0.266086 logGD-logG0= -0.018915 tlogG= -0.012048 logG= -0.030963 Density= 0.277949 ETOT(band)= 0.004605 trlgG= -0.032686 logG= -0.030963 TDE= -0.268044 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018843 tlogG= -0.011732 logG= -0.030574 Density= 0.276577 ETOT(band)= 0.004554 trlgG= -0.032148 logG= -0.030574 TDE= -0.266581 logGD-logG0= -0.018742 tlogG= -0.013854 logG= -0.032596 Density= 0.275888 ETOT(band)= 0.003585 trlgG= -0.034736 logG= -0.032596 TDE= -0.266487 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019116 tlogG= -0.010274 logG= -0.029389 Density= 0.263808 ETOT(band)= -0.008032 trlgG= -0.043229 logG= -0.029389 TDE= -0.266611 logGD-logG0= -0.019131 tlogG= -0.010541 logG= -0.029672 logGD-logG0= -0.009595 tlogG= -0.004930 logG= -0.014525 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.277981 ETOT(band)= 0.005076 trlgG= -0.030809 logG= -0.029672 TDE= -0.267489 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.130687 ETOT(band)= -0.005208 trlgG= -0.022574 logG= -0.014525 TDE= -0.133269 logGD-logG0= -0.019454 tlogG= -0.012812 logG= -0.032266 Density= 0.289647 ETOT(band)= 0.015471 trlgG= -0.023305 logG= -0.032266 TDE= -0.268569 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019067 tlogG= -0.010619 logG= -0.029687 Density= 0.274457 ETOT(band)= 0.002557 trlgG= -0.033140 logG= -0.029687 TDE= -0.266428 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009522 tlogG= -0.005513 logG= -0.015036 Density= 0.133205 ETOT(band)= -0.003336 trlgG= -0.021324 logG= -0.015036 TDE= -0.133921 logGD-logG0= -0.019057 tlogG= -0.011798 logG= -0.030855 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.270322 ETOT(band)= -0.003806 trlgG= -0.040841 logG= -0.030855 TDE= -0.269000 logGD-logG0= -0.019157 tlogG= -0.010190 logG= -0.029346 logGD-logG0= -0.009591 tlogG= -0.005238 logG= -0.014829 Density= 0.139925 ETOT(band)= 0.003170 trlgG= -0.014823 logG= -0.014829 TDE= -0.134065 Density= 0.266884 ETOT(band)= -0.005835 trlgG= -0.041054 logG= -0.029346 TDE= -0.267426 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019106 tlogG= -0.010710 logG= -0.029815 Density= 0.272292 ETOT(band)= -0.001260 trlgG= -0.037067 logG= -0.029815 TDE= -0.268152 logGD-logG0= -0.019264 tlogG= -0.012005 logG= -0.031270 Density= 0.279988 ETOT(band)= 0.004728 trlgG= -0.033009 logG= -0.031270 TDE= -0.270014 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009743 tlogG= -0.006005 logG= -0.015748 Density= 0.143993 ETOT(band)= 0.006690 trlgG= -0.012306 logG= -0.015748 TDE= -0.134527 logGD-logG0= -0.019203 tlogG= -0.011233 logG= -0.030437 Density= 0.277987 ETOT(band)= 0.004118 trlgG= -0.032599 logG= -0.030437 TDE= -0.268520 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009532 tlogG= -0.005189 logG= -0.014721 Density= 0.136461 ETOT(band)= -0.000138 trlgG= -0.017717 logG= -0.014721 TDE= -0.133748 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009539 tlogG= -0.005547 logG= -0.015087 Density= 0.135916 ETOT(band)= -0.000970 trlgG= -0.018988 logG= -0.015087 TDE= -0.134131 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009550 tlogG= -0.005323 logG= -0.014872 Density= 0.136904 ETOT(band)= 0.000184 trlgG= -0.017637 logG= -0.014872 TDE= -0.133942 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004773 tlogG= -0.002677 logG= -0.007450 Density= 0.068634 ETOT(band)= 0.000212 trlgG= -0.008761 logG= -0.007450 TDE= -0.067073 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002425 tlogG= -0.001874 logG= -0.004299 Density= 0.037002 ETOT(band)= 0.002717 trlgG= -0.002422 logG= -0.004299 TDE= -0.033577 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009286 tlogG= -0.008862 logG= -0.018148 Density= 0.139457 ETOT(band)= 0.003982 trlgG= -0.016771 logG= -0.018148 TDE= -0.132245 logGD-logG0= -0.002323 tlogG= -0.002356 logG= -0.004680 Density= 0.034887 ETOT(band)= 0.001013 trlgG= -0.004349 logG= -0.004680 TDE= -0.033097 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009383 tlogG= -0.007459 logG= -0.016842 Density= 0.137617 ETOT(band)= 0.001938 trlgG= -0.017589 logG= -0.016842 TDE= -0.132608 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009337 tlogG= -0.007800 logG= -0.017137 Density= 0.138604 ETOT(band)= 0.003176 trlgG= -0.016502 logG= -0.017137 TDE= -0.132171 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009635 tlogG= -0.007213 logG= -0.016848 logGD-logG0= -0.009319 tlogG= -0.008027 logG= -0.017346 Density= 0.144872 ETOT(band)= 0.008658 trlgG= -0.011195 logG= -0.016848 TDE= -0.133159 logGD-logG0= -0.002371 tlogG= -0.001979 logG= -0.004350 Density= 0.035800 ETOT(band)= 0.001831 trlgG= -0.003228 logG= -0.004350 TDE= -0.033181 Density= 0.138868 ETOT(band)= 0.003553 trlgG= -0.016386 logG= -0.017346 TDE= -0.132099 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009351 tlogG= -0.008474 logG= -0.017825 Density= 0.140868 ETOT(band)= 0.005322 trlgG= -0.015254 logG= -0.017825 TDE= -0.132404 logGD-logG0= -0.004661 tlogG= -0.004044 logG= -0.008705 Density= 0.069949 ETOT(band)= 0.002289 trlgG= -0.007746 logG= -0.008705 TDE= -0.066063 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009402 tlogG= -0.007367 logG= -0.016769 Density= 0.140971 ETOT(band)= 0.005493 trlgG= -0.014077 logG= -0.016769 TDE= -0.132382 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009392 tlogG= -0.006931 logG= -0.016323 Density= 0.139363 ETOT(band)= 0.004203 trlgG= -0.014823 logG= -0.016323 TDE= -0.132033 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009555 tlogG= -0.005374 logG= -0.014928 Density= 0.133855 ETOT(band)= -0.001546 trlgG= -0.019420 logG= -0.014928 TDE= -0.132747 logGD-logG0= -0.009585 tlogG= -0.005070 logG= -0.014655 Density= 0.130497 ETOT(band)= -0.004680 trlgG= -0.022154 logG= -0.014655 TDE= -0.132537 logGD-logG0= -0.009441 tlogG= -0.006403 logG= -0.015844 Density= 0.137493 ETOT(band)= 0.002011 trlgG= -0.016816 logG= -0.015844 TDE= -0.132712 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004753 tlogG= -0.002845 logG= -0.007598 Density= 0.068450 ETOT(band)= 0.000967 trlgG= -0.008074 logG= -0.007598 TDE= -0.066062 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018683 tlogG= -0.015848 logG= -0.034532 Density= 0.280417 ETOT(band)= 0.009639 trlgG= -0.030227 logG= -0.034532 TDE= -0.264381 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009285 tlogG= -0.009090 logG= -0.018376 Density= 0.139649 ETOT(band)= 0.004171 trlgG= -0.016878 logG= -0.018376 TDE= -0.132310 logGD-logG0= -0.019020 tlogG= -0.013312 logG= -0.032331 Density= 0.284590 ETOT(band)= 0.013154 trlgG= -0.025149 logG= -0.032331 TDE= -0.265503 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009446 tlogG= -0.007566 logG= -0.017012 Density= 0.142455 ETOT(band)= 0.006788 trlgG= -0.013040 logG= -0.017012 TDE= -0.132524 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009614 tlogG= -0.005731 logG= -0.015344 Density= 0.141397 ETOT(band)= 0.005619 trlgG= -0.012883 logG= -0.015344 TDE= -0.133020 logGD-logG0= -0.009752 tlogG= -0.006746 logG= -0.016498 Density= 0.145842 ETOT(band)= 0.009204 trlgG= -0.010615 logG= -0.016498 TDE= -0.133858 logGD-logG0= -0.018794 tlogG= -0.014069 logG= -0.032864 Density= 0.277594 ETOT(band)= 0.006808 trlgG= -0.031377 logG= -0.032864 TDE= -0.264494 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018960 tlogG= -0.011781 logG= -0.030741 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.277044 ETOT(band)= 0.006529 trlgG= -0.030113 logG= -0.030741 TDE= -0.264826 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009426 tlogG= -0.006705 logG= -0.016131 Density= 0.140796 ETOT(band)= 0.005568 trlgG= -0.013466 logG= -0.016131 TDE= -0.132242 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003085 tlogG= 0.069026 logG= 0.065941 Density= 0.045880 ETOT(band)= 0.000745 trlgG= 0.065790 logG= 0.065941 TDE= -0.044112 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002314 tlogG= 0.051789 logG= 0.049475 Density= 0.034472 ETOT(band)= 0.000608 trlgG= 0.049417 logG= 0.049475 TDE= -0.033088 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003115 tlogG= 0.069710 logG= 0.066595 Density= 0.046292 ETOT(band)= 0.001157 trlgG= 0.066894 logG= 0.066595 TDE= -0.044056 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009282 tlogG= 0.207954 logG= 0.198671 Density= 0.138645 ETOT(band)= 0.003214 trlgG= 0.199183 logG= 0.198671 TDE= -0.132333 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004633 tlogG= 0.103794 logG= 0.099161 Density= 0.069182 ETOT(band)= 0.001443 trlgG= 0.099281 logG= 0.099161 TDE= -0.066168 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003096 tlogG= 0.069311 logG= 0.066215 Density= 0.046225 ETOT(band)= 0.001061 trlgG= 0.066403 logG= 0.066215 TDE= -0.044103 logGD-logG0= -0.009318 tlogG= 0.208656 logG= 0.199338 Density= 0.139136 ETOT(band)= 0.003730 trlgG= 0.200397 logG= 0.199338 TDE= -0.132256 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.95219277144850 eV TrLogG= -13.7437946849456 eV Ratio to renormalize= 0.999999999723 rho-rho_expected= 0.000000004431 nargs= 1 argi=dmft2.def 12) Finished k-point number 13 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 51) Finished k-point number 52 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 33) Finished k-point number 34 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 47) Finished k-point number 48 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 36) Finished k-point number 37 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 73) Finished k-point number 74 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 67) Finished k-point number 68 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 74) Finished k-point number 75 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 75) Finished k-point number 76 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 30) Finished k-point number 31 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 46) Finished k-point number 47 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 96) Finished k-point number 97 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 88) Finished k-point number 89 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930857108393969 0.927422075545523 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 7) Finished k-point number 8 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 55) Finished k-point number 56 1 with #bands= 20 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 64) Finished k-point number 65 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 78) Finished k-point number 79 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 59) Finished k-point number 60 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0365083435676 Density= 15.9645371546145 16.0000000000000 EF 13.3086221756812 Density= 16.4663111651214 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97816578 0.95816578 0.466311 -0.354628E-01 1 0.96816578 0.95816579 0.224441 -0.354628E-01 2 0.96316578 0.95816602 0.975049E-01 -0.354628E-01 3 0.96066590 0.95816567 0.319940E-01 -0.354628E-01 4 0.95947068 0.95816567 0.170482E-04 -0.354628E-01 5 0.95947004 0.95816567 0.210170E-08 -0.354628E-01 6 0.95947004 0.95947004 -0.593758E-09 0.210170E-08 7 0.95947004 0.95947004 0.210170E-08 -0.593758E-09 8 0.95947004 0.95947004 0.210170E-08 -0.593758E-09 Absolute convergence of the X interval. Difference in EF= 0.0177454738 EF set to : 13.0542538174 new EF (no-mixing): 13.0542538174 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001212 tlogG= -0.001244 logG= -0.002456 Density= 0.018977 ETOT(band)= 0.001268 trlgG= -0.001614 logG= -0.002456 TDE= -0.017365 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009672 tlogG= -0.009494 logG= -0.019166 Density= 0.151715 ETOT(band)= 0.010395 trlgG= -0.012174 logG= -0.019166 TDE= -0.138573 logGD-logG0= -0.002416 tlogG= -0.002394 logG= -0.004811 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 Density= 0.037904 ETOT(band)= 0.002630 trlgG= -0.003035 logG= -0.004811 TDE= -0.034592 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004832 tlogG= -0.004599 logG= -0.009431 Density= 0.075832 ETOT(band)= 0.005278 trlgG= -0.005856 logG= -0.009431 TDE= -0.069183 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002421 tlogG= -0.002071 logG= -0.004492 Density= 0.037462 ETOT(band)= 0.002671 trlgG= -0.002719 logG= -0.004492 TDE= -0.034170 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001581 tlogG= -0.001316 logG= -0.002897 Density= 0.022781 ETOT(band)= -0.000118 trlgG= -0.003481 logG= -0.002897 TDE= -0.022441 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009699 tlogG= -0.008030 logG= -0.017729 Density= 0.150608 ETOT(band)= 0.010805 trlgG= -0.010440 logG= -0.017729 TDE= -0.137214 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009721 tlogG= -0.006659 logG= -0.016380 Density= 0.143797 ETOT(band)= 0.005185 trlgG= -0.014524 logG= -0.016380 TDE= -0.136114 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009703 tlogG= -0.008636 logG= -0.018339 Density= 0.150808 ETOT(band)= 0.010886 trlgG= -0.010988 logG= -0.018339 TDE= -0.137344 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004852 tlogG= -0.004178 logG= -0.009030 Density= 0.075500 ETOT(band)= 0.005320 trlgG= -0.005476 logG= -0.009030 TDE= -0.068886 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009714 tlogG= -0.008768 logG= -0.018482 Density= 0.151246 ETOT(band)= 0.010868 trlgG= -0.011108 logG= -0.018482 TDE= -0.137742 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009674 tlogG= -0.007771 logG= -0.017444 Density= 0.149995 ETOT(band)= 0.011243 trlgG= -0.009680 logG= -0.017444 TDE= -0.136151 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019397 tlogG= -0.015835 logG= -0.035233 Density= 0.301364 ETOT(band)= 0.021529 trlgG= -0.020741 logG= -0.035233 TDE= -0.274658 logGD-logG0= -0.019375 tlogG= -0.014717 logG= -0.034092 Density= 0.299381 ETOT(band)= 0.021621 trlgG= -0.019303 logG= -0.034092 TDE= -0.272457 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004831 tlogG= -0.003552 logG= -0.008384 Density= 0.074808 ETOT(band)= 0.005165 trlgG= -0.004903 logG= -0.008384 TDE= -0.068296 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009713 tlogG= -0.006609 logG= -0.016322 Density= 0.147357 ETOT(band)= 0.008793 trlgG= -0.010932 logG= -0.016322 TDE= -0.135995 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003155 tlogG= -0.002527 logG= -0.005682 Density= 0.045388 ETOT(band)= -0.000235 trlgG= -0.006888 logG= -0.005682 TDE= -0.044755 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003109 tlogG= -0.002600 logG= -0.005708 Density= 0.045888 ETOT(band)= 0.000676 trlgG= -0.005850 logG= -0.005708 TDE= -0.044170 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003137 tlogG= -0.002551 logG= -0.005689 Density= 0.045618 ETOT(band)= 0.000171 trlgG= -0.006415 logG= -0.005689 TDE= -0.044495 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009470 tlogG= -0.007364 logG= -0.016835 Density= 0.136645 ETOT(band)= -0.000330 trlgG= -0.020129 logG= -0.016835 TDE= -0.134401 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009479 tlogG= -0.007452 logG= -0.016931 Density= 0.136774 ETOT(band)= -0.000386 trlgG= -0.020266 logG= -0.016931 TDE= -0.134566 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009487 tlogG= -0.006651 logG= -0.016139 Density= 0.137904 ETOT(band)= 0.001005 trlgG= -0.018202 logG= -0.016139 TDE= -0.134379 logGD-logG0= -0.009456 tlogG= -0.007289 logG= -0.016745 Density= 0.136690 ETOT(band)= 0.000061 trlgG= -0.019615 logG= -0.016745 TDE= -0.134021 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009399 tlogG= -0.007355 logG= -0.016754 Density= 0.137352 ETOT(band)= 0.001358 trlgG= -0.018079 logG= -0.016754 TDE= -0.133109 logGD-logG0= -0.009779 tlogG= -0.007121 logG= -0.016899 Density= 0.147684 ETOT(band)= 0.009483 trlgG= -0.010848 logG= -0.016899 TDE= -0.135647 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004789 tlogG= -0.003094 logG= -0.007883 Density= 0.067594 ETOT(band)= -0.001097 trlgG= -0.010482 logG= -0.007883 TDE= -0.067453 logGD-logG0= -0.009717 tlogG= -0.007533 logG= -0.017250 Density= 0.149039 ETOT(band)= 0.011113 trlgG= -0.009594 logG= -0.017250 TDE= -0.135342 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009459 tlogG= -0.006520 logG= -0.015979 Density= 0.137674 ETOT(band)= 0.001272 trlgG= -0.017719 logG= -0.015979 TDE= -0.133834 logGD-logG0= -0.009582 tlogG= -0.006351 logG= -0.015933 Density= 0.140255 ETOT(band)= 0.003613 trlgG= -0.015267 logG= -0.015933 TDE= -0.133905 logGD-logG0= -0.009748 tlogG= -0.006505 logG= -0.016253 Density= 0.142442 ETOT(band)= 0.004530 trlgG= -0.014931 logG= -0.016253 TDE= -0.135347 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009587 tlogG= -0.006012 logG= -0.015600 Density= 0.135840 ETOT(band)= -0.001207 trlgG= -0.019822 logG= -0.015600 TDE= -0.134557 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009429 tlogG= -0.006810 logG= -0.016240 logGD-logG0= -0.009434 tlogG= -0.007322 logG= -0.016756 Density= 0.136917 ETOT(band)= 0.000464 trlgG= -0.019137 logG= -0.016756 TDE= -0.133748 Density= 0.139028 ETOT(band)= 0.003228 trlgG= -0.015710 logG= -0.016240 TDE= -0.132864 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009496 tlogG= -0.006618 logG= -0.016114 Density= 0.137850 ETOT(band)= 0.001031 trlgG= -0.018186 logG= -0.016114 TDE= -0.134335 logGD-logG0= -0.009522 tlogG= -0.005611 logG= -0.015134 logGD-logG0= -0.009568 tlogG= -0.005625 logG= -0.015194 Density= 0.133829 ETOT(band)= -0.002757 trlgG= -0.020904 logG= -0.015194 TDE= -0.134116 Density= 0.136888 ETOT(band)= 0.000638 trlgG= -0.017554 logG= -0.015134 TDE= -0.133760 logGD-logG0= -0.009483 tlogG= -0.006833 logG= -0.016316 Density= 0.138470 ETOT(band)= 0.001948 trlgG= -0.017219 logG= -0.016316 TDE= -0.133761 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004802 tlogG= -0.002571 logG= -0.007373 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.065390 ETOT(band)= -0.002539 trlgG= -0.011259 logG= -0.007373 TDE= -0.066626 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009543 tlogG= -0.005935 logG= -0.015478 Density= 0.138058 ETOT(band)= 0.001274 trlgG= -0.017268 logG= -0.015478 TDE= -0.134253 logGD-logG0= -0.009559 tlogG= -0.006133 logG= -0.015692 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138626 ETOT(band)= 0.001812 trlgG= -0.016871 logG= -0.015692 TDE= -0.134187 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009650 tlogG= -0.006564 logG= -0.016214 Density= 0.143492 ETOT(band)= 0.007034 trlgG= -0.012219 logG= -0.016214 TDE= -0.133682 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009480 tlogG= -0.006847 logG= -0.016327 Density= 0.137519 ETOT(band)= 0.000554 trlgG= -0.018856 logG= -0.016327 TDE= -0.134474 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019075 tlogG= -0.012099 logG= -0.031173 Density= 0.278243 ETOT(band)= 0.004588 trlgG= -0.032855 logG= -0.031173 TDE= -0.268648 logGD-logG0= -0.009796 tlogG= -0.006510 logG= -0.016306 Density= 0.143044 ETOT(band)= 0.004589 trlgG= -0.015030 logG= -0.016306 TDE= -0.135970 logGD-logG0= -0.018950 tlogG= -0.013702 logG= -0.032652 Density= 0.275202 ETOT(band)= 0.001732 trlgG= -0.036953 logG= -0.032652 TDE= -0.268350 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019549 tlogG= -0.012756 logG= -0.032305 Density= 0.285045 ETOT(band)= 0.008711 trlgG= -0.030121 logG= -0.032305 TDE= -0.271309 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019161 tlogG= -0.010840 logG= -0.030001 Density= 0.271454 ETOT(band)= -0.001506 trlgG= -0.037558 logG= -0.030001 TDE= -0.268009 logGD-logG0= -0.019310 tlogG= -0.012051 logG= -0.031361 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.281370 ETOT(band)= 0.007347 trlgG= -0.030271 logG= -0.031361 TDE= -0.268876 logGD-logG0= -0.019180 tlogG= -0.011442 logG= -0.030622 Density= 0.275324 ETOT(band)= 0.001692 trlgG= -0.034961 logG= -0.030622 TDE= -0.268505 logGD-logG0= -0.019056 tlogG= -0.011951 logG= -0.031007 Density= 0.277919 ETOT(band)= 0.004563 trlgG= -0.032669 logG= -0.031007 TDE= -0.268318 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000388 tlogG= 0.008627 logG= 0.008239 Density= 0.005719 ETOT(band)= 0.000076 trlgG= 0.008206 logG= 0.008239 TDE= -0.005520 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019255 tlogG= -0.010163 logG= -0.029418 Density= 0.264036 ETOT(band)= -0.007827 trlgG= -0.042968 logG= -0.029418 TDE= -0.266885 logGD-logG0= -0.009596 tlogG= -0.005457 logG= -0.015053 Density= 0.133142 ETOT(band)= -0.003399 trlgG= -0.021343 logG= -0.015053 TDE= -0.134035 logGD-logG0= -0.019056 tlogG= -0.012253 logG= -0.031309 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278050 ETOT(band)= 0.004986 trlgG= -0.032387 logG= -0.031309 TDE= -0.267859 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018981 tlogG= -0.011628 logG= -0.030609 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.276542 ETOT(band)= 0.004507 trlgG= -0.032129 logG= -0.030609 TDE= -0.266854 logGD-logG0= -0.018881 tlogG= -0.013742 logG= -0.032622 logGD-logG0= -0.019596 tlogG= -0.012731 logG= -0.032327 Density= 0.275848 ETOT(band)= 0.003544 trlgG= -0.034714 logG= -0.032622 TDE= -0.266760 Density= 0.289650 ETOT(band)= 0.015460 trlgG= -0.023259 logG= -0.032327 TDE= -0.268842 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019270 tlogG= -0.010448 logG= -0.029718 Density= 0.278133 ETOT(band)= 0.005205 trlgG= -0.030621 logG= -0.029718 TDE= -0.267763 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018988 tlogG= -0.012336 logG= -0.031324 Density= 0.278890 ETOT(band)= 0.006978 trlgG= -0.030142 logG= -0.031324 TDE= -0.266404 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009661 tlogG= -0.005193 logG= -0.014854 logGD-logG0= -0.019200 tlogG= -0.011678 logG= -0.030878 Density= 0.270172 ETOT(band)= -0.003960 trlgG= -0.040884 logG= -0.030878 TDE= -0.269228 Density= 0.139954 ETOT(band)= 0.003191 trlgG= -0.014774 logG= -0.014854 TDE= -0.134202 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019207 tlogG= -0.010523 logG= -0.029730 Density= 0.274719 ETOT(band)= 0.002786 trlgG= -0.032893 logG= -0.029730 TDE= -0.266747 logGD-logG0= -0.009668 tlogG= -0.004874 logG= -0.014543 Density= 0.130907 ETOT(band)= -0.005008 trlgG= -0.022362 logG= -0.014543 TDE= -0.133421 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019349 tlogG= -0.011131 logG= -0.030480 Density= 0.278123 ETOT(band)= 0.004225 trlgG= -0.032423 logG= -0.030480 TDE= -0.268794 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019296 tlogG= -0.010078 logG= -0.029374 Density= 0.267122 ETOT(band)= -0.005621 trlgG= -0.040778 logG= -0.029374 TDE= -0.267700 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009815 tlogG= -0.005963 logG= -0.015778 logGD-logG0= -0.019248 tlogG= -0.010595 logG= -0.029843 logGD-logG0= -0.019414 tlogG= -0.011902 logG= -0.031316 Density= 0.272314 ETOT(band)= -0.001255 trlgG= -0.036992 logG= -0.029843 TDE= -0.268426 Density= 0.144022 ETOT(band)= 0.006709 trlgG= -0.012257 logG= -0.015778 TDE= -0.134664 Density= 0.280157 ETOT(band)= 0.004871 trlgG= -0.032801 logG= -0.031316 TDE= -0.270288 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009621 tlogG= -0.005269 logG= -0.014889 Density= 0.136906 ETOT(band)= 0.000178 trlgG= -0.017610 logG= -0.014889 TDE= -0.134078 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004809 tlogG= -0.002650 logG= -0.007459 Density= 0.068627 ETOT(band)= 0.000202 trlgG= -0.008755 logG= -0.007459 TDE= -0.067142 logGD-logG0= -0.009602 tlogG= -0.005133 logG= -0.014735 Density= 0.136435 ETOT(band)= -0.000169 trlgG= -0.017709 logG= -0.014735 TDE= -0.133880 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009610 tlogG= -0.005489 logG= -0.015099 Density= 0.135875 ETOT(band)= -0.001014 trlgG= -0.018977 logG= -0.015099 TDE= -0.134246 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002443 tlogG= -0.001864 logG= -0.004307 Density= 0.036981 ETOT(band)= 0.002696 trlgG= -0.002436 logG= -0.004307 TDE= -0.033611 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002388 tlogG= -0.001968 logG= -0.004356 Density= 0.035807 ETOT(band)= 0.001836 trlgG= -0.003216 logG= -0.004356 TDE= -0.033215 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002340 tlogG= -0.002344 logG= -0.004684 Density= 0.034887 ETOT(band)= 0.001012 trlgG= -0.004342 logG= -0.004684 TDE= -0.033131 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009355 tlogG= -0.008812 logG= -0.018167 Density= 0.139460 ETOT(band)= 0.003983 trlgG= -0.016742 logG= -0.018167 TDE= -0.132382 logGD-logG0= -0.009406 tlogG= -0.007747 logG= -0.017153 Density= 0.138602 ETOT(band)= 0.003173 trlgG= -0.016476 logG= -0.017153 TDE= -0.132308 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009452 tlogG= -0.007401 logG= -0.016853 Density= 0.137594 ETOT(band)= 0.001915 trlgG= -0.017580 logG= -0.016853 TDE= -0.132744 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009388 tlogG= -0.007975 logG= -0.017363 Density= 0.138868 ETOT(band)= 0.003552 trlgG= -0.016359 logG= -0.017363 TDE= -0.132236 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004695 tlogG= -0.004019 logG= -0.008715 Density= 0.069955 ETOT(band)= 0.002293 trlgG= -0.007727 logG= -0.008715 TDE= -0.066132 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009419 tlogG= -0.008427 logG= -0.017846 Density= 0.140889 ETOT(band)= 0.005337 trlgG= -0.015208 logG= -0.017846 TDE= -0.132541 logGD-logG0= -0.009471 tlogG= -0.007321 logG= -0.016792 Density= 0.141007 ETOT(band)= 0.005521 trlgG= -0.014038 logG= -0.016792 TDE= -0.132538 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009703 tlogG= -0.007174 logG= -0.016877 logGD-logG0= -0.009461 tlogG= -0.006880 logG= -0.016341 Density= 0.144888 ETOT(band)= 0.008668 trlgG= -0.011157 logG= -0.016877 TDE= -0.133295 Density= 0.139375 ETOT(band)= 0.004211 trlgG= -0.014805 logG= -0.016341 TDE= -0.132190 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009512 tlogG= -0.006350 logG= -0.015862 Density= 0.137457 ETOT(band)= 0.001974 trlgG= -0.016825 logG= -0.015862 TDE= -0.132849 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004787 tlogG= -0.002816 logG= -0.007603 Density= 0.068465 ETOT(band)= 0.000978 trlgG= -0.008055 logG= -0.007603 TDE= -0.066142 logGD-logG0= -0.009624 tlogG= -0.005319 logG= -0.014944 Density= 0.133899 ETOT(band)= -0.001511 trlgG= -0.019355 logG= -0.014944 TDE= -0.132883 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019158 tlogG= -0.013224 logG= -0.032383 Density= 0.284693 ETOT(band)= 0.013235 trlgG= -0.025050 logG= -0.032383 TDE= -0.265822 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009354 tlogG= -0.009041 logG= -0.018395 Density= 0.139653 ETOT(band)= 0.004172 trlgG= -0.016848 logG= -0.018395 TDE= -0.132446 logGD-logG0= -0.018819 tlogG= -0.015751 logG= -0.034571 Density= 0.280455 ETOT(band)= 0.009668 trlgG= -0.030142 logG= -0.034571 TDE= -0.264660 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009824 tlogG= -0.006706 logG= -0.016530 Density= 0.145811 ETOT(band)= 0.009169 trlgG= -0.010623 logG= -0.016530 TDE= -0.133995 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009657 tlogG= -0.005014 logG= -0.014670 Density= 0.130698 ETOT(band)= -0.004500 trlgG= -0.021962 logG= -0.014670 TDE= -0.132692 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009515 tlogG= -0.007523 logG= -0.017038 Density= 0.142489 ETOT(band)= 0.006814 trlgG= -0.012997 logG= -0.017038 TDE= -0.132673 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009684 tlogG= -0.005687 logG= -0.015371 Density= 0.141468 ETOT(band)= 0.005675 trlgG= -0.012817 logG= -0.015371 TDE= -0.133180 logGD-logG0= -0.018930 tlogG= -0.013965 logG= -0.032895 Density= 0.277605 ETOT(band)= 0.006810 trlgG= -0.031344 logG= -0.032895 TDE= -0.264803 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019103 tlogG= -0.011691 logG= -0.030794 Density= 0.277058 ETOT(band)= 0.006528 trlgG= -0.030110 logG= -0.030794 TDE= -0.265145 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009495 tlogG= -0.006660 logG= -0.016155 Density= 0.140831 ETOT(band)= 0.005594 trlgG= -0.013433 logG= -0.016155 TDE= -0.132401 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003119 tlogG= 0.069428 logG= 0.066309 Density= 0.046219 ETOT(band)= 0.001056 trlgG= 0.066507 logG= 0.066309 TDE= -0.044149 logGD-logG0= -0.003138 tlogG= 0.069827 logG= 0.066688 Density= 0.046290 ETOT(band)= 0.001155 trlgG= 0.067000 logG= 0.066688 TDE= -0.044102 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003108 tlogG= 0.069144 logG= 0.066036 Density= 0.045867 ETOT(band)= 0.000733 trlgG= 0.065886 logG= 0.066036 TDE= -0.044158 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009351 tlogG= 0.208303 logG= 0.198952 Density= 0.138628 ETOT(band)= 0.003197 trlgG= 0.199491 logG= 0.198952 TDE= -0.132470 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002332 tlogG= 0.051877 logG= 0.049545 Density= 0.034463 ETOT(band)= 0.000600 trlgG= 0.049490 logG= 0.049545 TDE= -0.033122 logGD-logG0= -0.004667 tlogG= 0.103968 logG= 0.099301 Density= 0.069170 ETOT(band)= 0.001432 trlgG= 0.099431 logG= 0.099301 TDE= -0.066236 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009388 tlogG= 0.209003 logG= 0.199615 Density= 0.139131 ETOT(band)= 0.003724 trlgG= 0.200714 logG= 0.199615 TDE= -0.132393 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.94342222303532 eV TrLogG= -13.6925518369072 eV Ratio to renormalize= 0.999999999592 rho-rho_expected= 0.000000006526 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 56) Finished k-point number 57 1 with #bands= 18 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 60) Finished k-point number 61 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 98) Finished k-point number 99 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 103) Finished k-point number 104 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 76) Finished k-point number 77 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 91) Finished k-point number 92 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 86) Finished k-point number 87 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930966608645813 0.927503129576582 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 9) Finished k-point number 10 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 100) Finished k-point number 101 1 with #bands= 20 34) Finished k-point number 35 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 98) Finished k-point number 99 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 32) Finished k-point number 33 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 33) Finished k-point number 34 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 41) Finished k-point number 42 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 72) Finished k-point number 73 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0542538173964 Density= 16.0082085144097 16.0000000000000 EF 12.7821399852828 Density= 15.3869883212732 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95947004 0.93947004 0.820851E-02 -0.613012 1 0.95920577 0.93947004 0.111112E-02 -0.613012 2 0.95916448 0.95920577 -0.148900E-06 0.111112E-02 3 0.95916448 0.95916448 0.394387E-10 -0.148900E-06 Absolute convergence of |F(X)|. Difference in EF= -0.0041573906 EF set to : 13.0500964267 new EF (no-mixing): 13.0500964267 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001212 tlogG= -0.001244 logG= -0.002456 Density= 0.018980 ETOT(band)= 0.001266 trlgG= -0.001615 logG= -0.002456 TDE= -0.017364 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009671 tlogG= -0.009493 logG= -0.019164 Density= 0.151742 ETOT(band)= 0.010381 trlgG= -0.012180 logG= -0.019164 TDE= -0.138561 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002416 tlogG= -0.002394 logG= -0.004810 Density= 0.037911 ETOT(band)= 0.002626 trlgG= -0.003036 logG= -0.004810 TDE= -0.034589 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004831 tlogG= -0.004599 logG= -0.009430 Density= 0.075845 ETOT(band)= 0.005271 trlgG= -0.005859 logG= -0.009430 TDE= -0.069177 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002421 tlogG= -0.002070 logG= -0.004491 Density= 0.037471 ETOT(band)= 0.002669 trlgG= -0.002718 logG= -0.004491 TDE= -0.034168 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009702 tlogG= -0.008634 logG= -0.018336 Density= 0.150838 ETOT(band)= 0.010876 trlgG= -0.010990 logG= -0.018336 TDE= -0.137333 logGD-logG0= -0.009698 tlogG= -0.008028 logG= -0.017726 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.150640 ETOT(band)= 0.010797 trlgG= -0.010441 logG= -0.017726 TDE= -0.137203 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001581 tlogG= -0.001316 logG= -0.002897 Density= 0.022784 ETOT(band)= -0.000123 trlgG= -0.003485 logG= -0.002897 TDE= -0.022440 logGD-logG0= -0.009720 tlogG= -0.006657 logG= -0.016378 Density= 0.143760 ETOT(band)= 0.005110 trlgG= -0.014592 logG= -0.016378 TDE= -0.136104 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004852 tlogG= -0.004177 logG= -0.009029 Density= 0.075514 ETOT(band)= 0.005314 trlgG= -0.005478 logG= -0.009029 TDE= -0.068880 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009713 tlogG= -0.008766 logG= -0.018480 Density= 0.151275 ETOT(band)= 0.010856 trlgG= -0.011113 logG= -0.018480 TDE= -0.137730 logGD-logG0= -0.009673 tlogG= -0.007769 logG= -0.017442 Density= 0.150026 ETOT(band)= 0.011234 trlgG= -0.009683 logG= -0.017442 TDE= -0.136141 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019373 tlogG= -0.014714 logG= -0.034087 Density= 0.299436 ETOT(band)= 0.021594 trlgG= -0.019315 logG= -0.034087 TDE= -0.272436 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019395 tlogG= -0.015832 logG= -0.035227 Density= 0.301424 ETOT(band)= 0.021507 trlgG= -0.020746 logG= -0.035227 TDE= -0.274635 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009712 tlogG= -0.006608 logG= -0.016320 Density= 0.147372 ETOT(band)= 0.008768 trlgG= -0.010950 logG= -0.016320 TDE= -0.135984 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004831 tlogG= -0.003552 logG= -0.008382 Density= 0.074819 ETOT(band)= 0.005156 trlgG= -0.004909 logG= -0.008382 TDE= -0.068291 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003155 tlogG= -0.002525 logG= -0.005681 Density= 0.045393 ETOT(band)= -0.000244 trlgG= -0.006894 logG= -0.005681 TDE= -0.044753 logGD-logG0= -0.003109 tlogG= -0.002601 logG= -0.005710 Density= 0.045892 ETOT(band)= 0.000666 trlgG= -0.005860 logG= -0.005710 TDE= -0.044168 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009470 tlogG= -0.007366 logG= -0.016837 Density= 0.136661 ETOT(band)= -0.000355 trlgG= -0.020151 logG= -0.016837 TDE= -0.134395 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009478 tlogG= -0.007453 logG= -0.016932 Density= 0.136789 ETOT(band)= -0.000412 trlgG= -0.020288 logG= -0.016932 TDE= -0.134560 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003137 tlogG= -0.002552 logG= -0.005690 Density= 0.045623 ETOT(band)= 0.000162 trlgG= -0.006423 logG= -0.005690 TDE= -0.044493 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009456 tlogG= -0.007296 logG= -0.016753 Density= 0.136706 ETOT(band)= 0.000036 trlgG= -0.019644 logG= -0.016753 TDE= -0.134015 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009487 tlogG= -0.006652 logG= -0.016139 Density= 0.137914 ETOT(band)= 0.000976 trlgG= -0.018228 logG= -0.016139 TDE= -0.134372 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009778 tlogG= -0.007120 logG= -0.016898 Density= 0.147709 ETOT(band)= 0.009468 trlgG= -0.010858 logG= -0.016898 TDE= -0.135637 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009434 tlogG= -0.007325 logG= -0.016759 Density= 0.136932 ETOT(band)= 0.000438 trlgG= -0.019161 logG= -0.016759 TDE= -0.133743 logGD-logG0= -0.009399 tlogG= -0.007359 logG= -0.016758 logGD-logG0= -0.009716 tlogG= -0.007533 logG= -0.017249 Density= 0.149069 ETOT(band)= 0.011103 trlgG= -0.009598 logG= -0.017249 TDE= -0.135332 Density= 0.137365 ETOT(band)= 0.001329 trlgG= -0.018107 logG= -0.016758 TDE= -0.133104 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009542 tlogG= -0.005935 logG= -0.015477 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138058 ETOT(band)= 0.001234 trlgG= -0.017302 logG= -0.015477 TDE= -0.134246 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009495 tlogG= -0.006619 logG= -0.016115 Density= 0.137858 ETOT(band)= 0.000999 trlgG= -0.018214 logG= -0.016115 TDE= -0.134328 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009582 tlogG= -0.006353 logG= -0.015935 Density= 0.140247 ETOT(band)= 0.003566 trlgG= -0.015312 logG= -0.015935 TDE= -0.133896 logGD-logG0= -0.009458 tlogG= -0.006521 logG= -0.015980 logGD-logG0= -0.009747 tlogG= -0.006504 logG= -0.016251 Density= 0.137685 ETOT(band)= 0.001241 trlgG= -0.017744 logG= -0.015980 TDE= -0.133827 Density= 0.142421 ETOT(band)= 0.004472 trlgG= -0.014982 logG= -0.016251 TDE= -0.135337 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009483 tlogG= -0.006838 logG= -0.016321 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138476 ETOT(band)= 0.001912 trlgG= -0.017255 logG= -0.016321 TDE= -0.133754 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004789 tlogG= -0.003098 logG= -0.007887 Density= 0.067606 ETOT(band)= -0.001105 trlgG= -0.010491 logG= -0.007887 TDE= -0.067450 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009649 tlogG= -0.006565 logG= -0.016214 logGD-logG0= -0.009569 tlogG= -0.005631 logG= -0.015199 Density= 0.133846 ETOT(band)= -0.002781 trlgG= -0.020929 logG= -0.015199 TDE= -0.134110 logGD-logG0= -0.004802 tlogG= -0.002575 logG= -0.007377 Density= 0.065399 ETOT(band)= -0.002549 trlgG= -0.011273 logG= -0.007377 TDE= -0.066624 Density= 0.143481 ETOT(band)= 0.006984 trlgG= -0.012265 logG= -0.016214 TDE= -0.133673 logGD-logG0= -0.009429 tlogG= -0.006814 logG= -0.016243 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.139032 ETOT(band)= 0.003191 trlgG= -0.015746 logG= -0.016243 TDE= -0.132858 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009522 tlogG= -0.005613 logG= -0.015135 Density= 0.136891 ETOT(band)= 0.000602 trlgG= -0.017587 logG= -0.015135 TDE= -0.133753 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009587 tlogG= -0.006016 logG= -0.015603 Density= 0.135851 ETOT(band)= -0.001236 trlgG= -0.019851 logG= -0.015603 TDE= -0.134551 logGD-logG0= -0.009559 tlogG= -0.006134 logG= -0.015693 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138624 ETOT(band)= 0.001770 trlgG= -0.016908 logG= -0.015693 TDE= -0.134179 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009480 tlogG= -0.006851 logG= -0.016331 Density= 0.137528 ETOT(band)= 0.000523 trlgG= -0.018886 logG= -0.016331 TDE= -0.134467 logGD-logG0= -0.019057 tlogG= -0.011958 logG= -0.031015 Density= 0.277922 ETOT(band)= 0.004488 trlgG= -0.032744 logG= -0.031015 TDE= -0.268302 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019545 tlogG= -0.012759 logG= -0.032304 Density= 0.284982 ETOT(band)= 0.008574 trlgG= -0.030248 logG= -0.032304 TDE= -0.271289 logGD-logG0= -0.019074 tlogG= -0.012100 logG= -0.031174 Density= 0.278241 ETOT(band)= 0.004507 trlgG= -0.032927 logG= -0.031174 TDE= -0.268632 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018988 tlogG= -0.012340 logG= -0.031328 Density= 0.278887 ETOT(band)= 0.006896 trlgG= -0.030218 logG= -0.031328 TDE= -0.266388 logGD-logG0= -0.009795 tlogG= -0.006510 logG= -0.016305 Density= 0.143014 ETOT(band)= 0.004522 trlgG= -0.015091 logG= -0.016305 TDE= -0.135960 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019159 tlogG= -0.010842 logG= -0.030001 logGD-logG0= -0.018881 tlogG= -0.013747 logG= -0.032628 Density= 0.271436 ETOT(band)= -0.001603 trlgG= -0.037644 logG= -0.030001 TDE= -0.267995 Density= 0.275867 ETOT(band)= 0.003481 trlgG= -0.034775 logG= -0.032628 TDE= -0.266749 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018949 tlogG= -0.013703 logG= -0.032652 Density= 0.275223 ETOT(band)= 0.001670 trlgG= -0.037004 logG= -0.032652 TDE= -0.268336 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019308 tlogG= -0.012052 logG= -0.031360 logGD-logG0= -0.019595 tlogG= -0.012730 logG= -0.032325 Density= 0.289643 ETOT(band)= 0.015376 trlgG= -0.023333 logG= -0.032325 TDE= -0.268824 Density= 0.281338 ETOT(band)= 0.007240 trlgG= -0.030369 logG= -0.031360 TDE= -0.268859 logGD-logG0= -0.019255 tlogG= -0.010171 logG= -0.029427 Density= 0.264016 ETOT(band)= -0.007922 trlgG= -0.043064 logG= -0.029427 TDE= -0.266872 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000388 tlogG= 0.008624 logG= 0.008236 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.005719 ETOT(band)= 0.000075 trlgG= 0.008202 logG= 0.008236 TDE= -0.005520 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019270 tlogG= -0.010445 logG= -0.029716 logGD-logG0= -0.009666 tlogG= -0.004876 logG= -0.014542 Density= 0.278057 ETOT(band)= 0.005054 trlgG= -0.030760 logG= -0.029716 TDE= -0.267747 Density= 0.130869 ETOT(band)= -0.005083 trlgG= -0.022431 logG= -0.014542 TDE= -0.133413 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019183 tlogG= -0.011462 logG= -0.030645 Density= 0.275294 ETOT(band)= 0.001587 trlgG= -0.035081 logG= -0.030645 TDE= -0.268489 logGD-logG0= -0.019055 tlogG= -0.012250 logG= -0.031305 Density= 0.278054 ETOT(band)= 0.004911 trlgG= -0.032449 logG= -0.031305 TDE= -0.267844 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018982 tlogG= -0.011619 logG= -0.030601 Density= 0.276559 ETOT(band)= 0.004446 trlgG= -0.032175 logG= -0.030601 TDE= -0.266840 logGD-logG0= -0.019296 tlogG= -0.010079 logG= -0.029375 Density= 0.267054 ETOT(band)= -0.005765 trlgG= -0.040913 logG= -0.029375 TDE= -0.267686 logGD-logG0= -0.009595 tlogG= -0.005458 logG= -0.015053 Density= 0.133136 ETOT(band)= -0.003445 trlgG= -0.021383 logG= -0.015053 TDE= -0.134029 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019208 tlogG= -0.010524 logG= -0.029732 Density= 0.274605 ETOT(band)= 0.002599 trlgG= -0.033071 logG= -0.029732 TDE= -0.266730 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019411 tlogG= -0.011905 logG= -0.031316 Density= 0.280119 ETOT(band)= 0.004758 trlgG= -0.032905 logG= -0.031316 TDE= -0.270269 logGD-logG0= -0.019200 tlogG= -0.011684 logG= -0.030884 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.270202 ETOT(band)= -0.004009 trlgG= -0.040931 logG= -0.030884 TDE= -0.269216 logGD-logG0= -0.009660 tlogG= -0.005192 logG= -0.014852 Density= 0.139937 ETOT(band)= 0.003135 trlgG= -0.014823 logG= -0.014852 TDE= -0.134194 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009815 tlogG= -0.005962 logG= -0.015777 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019348 tlogG= -0.011136 logG= -0.030483 Density= 0.144011 ETOT(band)= 0.006660 trlgG= -0.012301 logG= -0.015777 TDE= -0.134655 Density= 0.278084 ETOT(band)= 0.004111 trlgG= -0.032532 logG= -0.030483 TDE= -0.268777 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019248 tlogG= -0.010601 logG= -0.029849 Density= 0.272297 ETOT(band)= -0.001350 trlgG= -0.037082 logG= -0.029849 TDE= -0.268411 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009620 tlogG= -0.005270 logG= -0.014890 Density= 0.136901 ETOT(band)= 0.000133 trlgG= -0.017651 logG= -0.014890 TDE= -0.134072 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004808 tlogG= -0.002651 logG= -0.007460 Density= 0.068629 ETOT(band)= 0.000184 trlgG= -0.008772 logG= -0.007460 TDE= -0.067138 logGD-logG0= -0.009602 tlogG= -0.005135 logG= -0.014737 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136437 ETOT(band)= -0.000206 trlgG= -0.017744 logG= -0.014737 TDE= -0.133874 logGD-logG0= -0.009610 tlogG= -0.005491 logG= -0.015101 Density= 0.135879 ETOT(band)= -0.001051 trlgG= -0.019010 logG= -0.015101 TDE= -0.134240 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002443 tlogG= -0.001864 logG= -0.004307 Density= 0.036984 ETOT(band)= 0.002689 trlgG= -0.002441 logG= -0.004307 TDE= -0.033609 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002340 tlogG= -0.002344 logG= -0.004684 Density= 0.034889 ETOT(band)= 0.001003 trlgG= -0.004350 logG= -0.004684 TDE= -0.033130 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009406 tlogG= -0.007749 logG= -0.017155 Density= 0.138611 ETOT(band)= 0.003140 trlgG= -0.016507 logG= -0.017155 TDE= -0.132302 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009387 tlogG= -0.007976 logG= -0.017364 Density= 0.138876 ETOT(band)= 0.003518 trlgG= -0.016389 logG= -0.017364 TDE= -0.132230 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009419 tlogG= -0.008427 logG= -0.017846 Density= 0.140890 ETOT(band)= 0.005297 trlgG= -0.015244 logG= -0.017846 TDE= -0.132534 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002388 tlogG= -0.001968 logG= -0.004356 Density= 0.035806 ETOT(band)= 0.001825 trlgG= -0.003226 logG= -0.004356 TDE= -0.033213 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004694 tlogG= -0.004018 logG= -0.008712 Density= 0.069957 ETOT(band)= 0.002273 trlgG= -0.007740 logG= -0.008712 TDE= -0.066128 logGD-logG0= -0.009355 tlogG= -0.008813 logG= -0.018168 Density= 0.139467 ETOT(band)= 0.003948 trlgG= -0.016773 logG= -0.018168 TDE= -0.132376 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009702 tlogG= -0.007174 logG= -0.016876 Density= 0.144883 ETOT(band)= 0.008623 trlgG= -0.011197 logG= -0.016876 TDE= -0.133287 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009471 tlogG= -0.007322 logG= -0.016793 Density= 0.141005 ETOT(band)= 0.005479 trlgG= -0.014076 logG= -0.016793 TDE= -0.132531 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009452 tlogG= -0.007404 logG= -0.016856 Density= 0.137606 ETOT(band)= 0.001885 trlgG= -0.017609 logG= -0.016856 TDE= -0.132740 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009510 tlogG= -0.006350 logG= -0.015860 Density= 0.137470 ETOT(band)= 0.001944 trlgG= -0.016847 logG= -0.015860 TDE= -0.132843 logGD-logG0= -0.009460 tlogG= -0.006880 logG= -0.016340 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.139380 ETOT(band)= 0.004173 trlgG= -0.014836 logG= -0.016340 TDE= -0.132185 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018819 tlogG= -0.015754 logG= -0.034573 Density= 0.280461 ETOT(band)= 0.009591 trlgG= -0.030212 logG= -0.034573 TDE= -0.264647 logGD-logG0= -0.009625 tlogG= -0.005321 logG= -0.014946 Density= 0.133883 ETOT(band)= -0.001565 trlgG= -0.019407 logG= -0.014946 TDE= -0.132877 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004787 tlogG= -0.002823 logG= -0.007610 Density= 0.068473 ETOT(band)= 0.000965 trlgG= -0.008072 logG= -0.007610 TDE= -0.066139 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009354 tlogG= -0.009042 logG= -0.018396 Density= 0.139659 ETOT(band)= 0.004137 trlgG= -0.016880 logG= -0.018396 TDE= -0.132440 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009654 tlogG= -0.005014 logG= -0.014668 logGD-logG0= -0.009824 tlogG= -0.006704 logG= -0.016528 Density= 0.145815 ETOT(band)= 0.009133 trlgG= -0.010653 logG= -0.016528 TDE= -0.133985 Density= 0.130652 ETOT(band)= -0.004583 trlgG= -0.022037 logG= -0.014668 TDE= -0.132685 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009515 tlogG= -0.007523 logG= -0.017037 logGD-logG0= -0.019158 tlogG= -0.013219 logG= -0.032377 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018930 tlogG= -0.013969 logG= -0.032899 Density= 0.142485 ETOT(band)= 0.006770 trlgG= -0.013037 logG= -0.017037 TDE= -0.132666 Density= 0.284681 ETOT(band)= 0.013145 trlgG= -0.025126 logG= -0.032377 TDE= -0.265805 Density= 0.277618 ETOT(band)= 0.006740 trlgG= -0.031409 logG= -0.032899 TDE= -0.264792 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009683 tlogG= -0.005687 logG= -0.015371 Density= 0.141447 ETOT(band)= 0.005616 trlgG= -0.012871 logG= -0.015371 TDE= -0.133171 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009495 tlogG= -0.006661 logG= -0.016156 Density= 0.140828 ETOT(band)= 0.005552 trlgG= -0.013473 logG= -0.016156 TDE= -0.132394 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019101 tlogG= -0.011692 logG= -0.030794 Density= 0.277062 ETOT(band)= 0.006452 trlgG= -0.030177 logG= -0.030794 TDE= -0.265131 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003108 tlogG= 0.069119 logG= 0.066011 Density= 0.045872 ETOT(band)= 0.000723 trlgG= 0.065853 logG= 0.066011 TDE= -0.044156 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003138 tlogG= 0.069803 logG= 0.066664 Density= 0.046293 ETOT(band)= 0.001144 trlgG= 0.066967 logG= 0.066664 TDE= -0.044100 logGD-logG0= -0.003119 tlogG= 0.069404 logG= 0.066285 Density= 0.046223 ETOT(band)= 0.001045 trlgG= 0.066473 logG= 0.066285 TDE= -0.044147 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002332 tlogG= 0.051859 logG= 0.049527 Density= 0.034467 ETOT(band)= 0.000592 trlgG= 0.049466 logG= 0.049527 TDE= -0.033121 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009351 tlogG= 0.208232 logG= 0.198881 Density= 0.138638 ETOT(band)= 0.003164 trlgG= 0.199392 logG= 0.198881 TDE= -0.132465 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004667 tlogG= 0.103934 logG= 0.099267 Density= 0.069175 ETOT(band)= 0.001416 trlgG= 0.099384 logG= 0.099267 TDE= -0.066234 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009388 tlogG= 0.208933 logG= 0.199545 Density= 0.139140 ETOT(band)= 0.003690 trlgG= 0.200616 logG= 0.199545 TDE= -0.132387 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.88162464440091 eV TrLogG= -13.7517979303426 eV Ratio to renormalize= 0.999999999721 rho-rho_expected= 0.000000004461 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 51) Finished k-point number 52 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 96) Finished k-point number 97 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 99) Finished k-point number 100 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 103) Finished k-point number 104 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 102) Finished k-point number 103 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 58) Finished k-point number 59 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 78) Finished k-point number 79 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 89) Finished k-point number 90 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 91) Finished k-point number 92 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 95) Finished k-point number 96 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 94) Finished k-point number 95 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931067996943904 0.927569424008976 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 85) Finished k-point number 86 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 43) Finished k-point number 44 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0500964267495 Density= 16.0107544984246 16.0000000000000 EF 12.7779825946359 Density= 15.3918279718527 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95916448 0.93916448 0.107545E-01 -0.608172 1 0.95881696 0.93916448 0.144367E-02 -0.608172 2 0.95876320 0.95881696 -0.240444E-06 0.144367E-02 3 0.95876321 0.95876320 0.825899E-10 -0.240444E-06 Absolute convergence of |F(X)|. Difference in EF= -0.0054595355 EF set to : 13.0446368912 new EF (no-mixing): 13.0446368912 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001212 tlogG= -0.001244 logG= -0.002456 Density= 0.018985 ETOT(band)= 0.001263 trlgG= -0.001616 logG= -0.002456 TDE= -0.017362 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002416 tlogG= -0.002394 logG= -0.004809 Density= 0.037920 ETOT(band)= 0.002621 trlgG= -0.003038 logG= -0.004809 TDE= -0.034585 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009670 tlogG= -0.009491 logG= -0.019160 Density= 0.151776 ETOT(band)= 0.010361 trlgG= -0.012188 logG= -0.019160 TDE= -0.138545 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004831 tlogG= -0.004598 logG= -0.009428 Density= 0.075863 ETOT(band)= 0.005261 trlgG= -0.005863 logG= -0.009428 TDE= -0.069169 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002420 tlogG= -0.002070 logG= -0.004490 Density= 0.037483 ETOT(band)= 0.002668 trlgG= -0.002717 logG= -0.004490 TDE= -0.034164 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001581 tlogG= -0.001317 logG= -0.002898 Density= 0.022787 ETOT(band)= -0.000128 trlgG= -0.003490 logG= -0.002898 TDE= -0.022439 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009701 tlogG= -0.008632 logG= -0.018333 Density= 0.150879 ETOT(band)= 0.010862 trlgG= -0.010994 logG= -0.018333 TDE= -0.137318 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009697 tlogG= -0.008026 logG= -0.017722 Density= 0.150678 ETOT(band)= 0.010782 trlgG= -0.010446 logG= -0.017722 TDE= -0.137188 logGD-logG0= -0.004851 tlogG= -0.004176 logG= -0.009027 Density= 0.075534 ETOT(band)= 0.005307 trlgG= -0.005481 logG= -0.009027 TDE= -0.068872 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009720 tlogG= -0.006657 logG= -0.016377 Density= 0.143720 ETOT(band)= 0.005020 trlgG= -0.014674 logG= -0.016377 TDE= -0.136090 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009712 tlogG= -0.008764 logG= -0.018476 Density= 0.151312 ETOT(band)= 0.010839 trlgG= -0.011119 logG= -0.018476 TDE= -0.137715 logGD-logG0= -0.009671 tlogG= -0.007767 logG= -0.017439 Density= 0.150068 ETOT(band)= 0.011222 trlgG= -0.009686 logG= -0.017439 TDE= -0.136127 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019371 tlogG= -0.014710 logG= -0.034081 Density= 0.299504 ETOT(band)= 0.021556 trlgG= -0.019336 logG= -0.034081 TDE= -0.272408 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019392 tlogG= -0.015829 logG= -0.035221 Density= 0.301503 ETOT(band)= 0.021479 trlgG= -0.020756 logG= -0.035221 TDE= -0.274605 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009711 tlogG= -0.006606 logG= -0.016317 Density= 0.147392 ETOT(band)= 0.008737 trlgG= -0.010973 logG= -0.016317 TDE= -0.135971 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004830 tlogG= -0.003551 logG= -0.008381 Density= 0.074834 ETOT(band)= 0.005144 trlgG= -0.004917 logG= -0.008381 TDE= -0.068284 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003155 tlogG= -0.002528 logG= -0.005683 Density= 0.045401 ETOT(band)= -0.000254 trlgG= -0.006904 logG= -0.005683 TDE= -0.044751 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003109 tlogG= -0.002602 logG= -0.005711 Density= 0.045898 ETOT(band)= 0.000653 trlgG= -0.005872 logG= -0.005711 TDE= -0.044166 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009478 tlogG= -0.007457 logG= -0.016935 Density= 0.136810 ETOT(band)= -0.000446 trlgG= -0.020319 logG= -0.016935 TDE= -0.134552 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009470 tlogG= -0.007370 logG= -0.016840 Density= 0.136682 ETOT(band)= -0.000388 trlgG= -0.020182 logG= -0.016840 TDE= -0.134387 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003137 tlogG= -0.002553 logG= -0.005691 Density= 0.045630 ETOT(band)= 0.000150 trlgG= -0.006434 logG= -0.005691 TDE= -0.044492 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009455 tlogG= -0.007295 logG= -0.016750 Density= 0.136725 ETOT(band)= 0.000001 trlgG= -0.019671 logG= -0.016750 TDE= -0.134008 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009486 tlogG= -0.006656 logG= -0.016142 Density= 0.137924 ETOT(band)= 0.000932 trlgG= -0.018268 logG= -0.016142 TDE= -0.134363 logGD-logG0= -0.009777 tlogG= -0.007118 logG= -0.016895 Density= 0.147735 ETOT(band)= 0.009441 trlgG= -0.010875 logG= -0.016895 TDE= -0.135623 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009744 tlogG= -0.006508 logG= -0.016252 Density= 0.142385 ETOT(band)= 0.004387 trlgG= -0.015063 logG= -0.016252 TDE= -0.135325 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009398 tlogG= -0.007361 logG= -0.016759 Density= 0.137382 ETOT(band)= 0.001292 trlgG= -0.018141 logG= -0.016759 TDE= -0.133098 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009582 tlogG= -0.006356 logG= -0.015938 Density= 0.140237 ETOT(band)= 0.003506 trlgG= -0.015370 logG= -0.015938 TDE= -0.133886 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009434 tlogG= -0.007328 logG= -0.016761 Density= 0.136951 ETOT(band)= 0.000402 trlgG= -0.019193 logG= -0.016761 TDE= -0.133736 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009483 tlogG= -0.006841 logG= -0.016324 Density= 0.138485 ETOT(band)= 0.001868 trlgG= -0.017295 logG= -0.016324 TDE= -0.133746 logGD-logG0= -0.009458 tlogG= -0.006524 logG= -0.015982 Density= 0.137698 ETOT(band)= 0.001201 trlgG= -0.017781 logG= -0.015982 TDE= -0.133819 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009522 tlogG= -0.005616 logG= -0.015139 Density= 0.136897 ETOT(band)= 0.000557 trlgG= -0.017631 logG= -0.015139 TDE= -0.133744 logGD-logG0= -0.009715 tlogG= -0.007531 logG= -0.017245 logGD-logG0= -0.009568 tlogG= -0.005633 logG= -0.015201 Density= 0.133871 ETOT(band)= -0.002809 trlgG= -0.020953 logG= -0.015201 TDE= -0.134102 logGD-logG0= -0.009542 tlogG= -0.005938 logG= -0.015480 Density= 0.138059 ETOT(band)= 0.001183 trlgG= -0.017350 logG= -0.015480 TDE= -0.134236 Density= 0.149104 ETOT(band)= 0.011084 trlgG= -0.009608 logG= -0.017245 TDE= -0.135318 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004788 tlogG= -0.003099 logG= -0.007887 Density= 0.067617 ETOT(band)= -0.001121 trlgG= -0.010504 logG= -0.007887 TDE= -0.067445 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009429 tlogG= -0.006816 logG= -0.016245 Density= 0.139038 ETOT(band)= 0.003142 trlgG= -0.015790 logG= -0.016245 TDE= -0.132849 logGD-logG0= -0.004802 tlogG= -0.002575 logG= -0.007377 Density= 0.065391 ETOT(band)= -0.002582 trlgG= -0.011303 logG= -0.007377 TDE= -0.066621 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009558 tlogG= -0.006137 logG= -0.015695 Density= 0.138622 ETOT(band)= 0.001716 trlgG= -0.016957 logG= -0.015695 TDE= -0.134169 logGD-logG0= -0.009586 tlogG= -0.006020 logG= -0.015606 logGD-logG0= -0.009646 tlogG= -0.006565 logG= -0.016211 Density= 0.143466 ETOT(band)= 0.006918 trlgG= -0.012323 logG= -0.016211 TDE= -0.133662 logGD-logG0= -0.009495 tlogG= -0.006624 logG= -0.016119 Density= 0.135863 ETOT(band)= -0.001277 trlgG= -0.019889 logG= -0.015606 TDE= -0.134543 Density= 0.137870 ETOT(band)= 0.000958 trlgG= -0.018253 logG= -0.016119 TDE= -0.134318 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009480 tlogG= -0.006856 logG= -0.016335 Density= 0.137543 ETOT(band)= 0.000485 trlgG= -0.018922 logG= -0.016335 TDE= -0.134458 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019053 tlogG= -0.011957 logG= -0.031010 logGD-logG0= -0.019539 tlogG= -0.012761 logG= -0.032300 Density= 0.277926 ETOT(band)= 0.004387 trlgG= -0.032827 logG= -0.031010 TDE= -0.268282 Density= 0.284899 ETOT(band)= 0.008393 trlgG= -0.030413 logG= -0.032300 TDE= -0.271264 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009793 tlogG= -0.006511 logG= -0.016304 Density= 0.142963 ETOT(band)= 0.004423 trlgG= -0.015183 logG= -0.016304 TDE= -0.135947 logGD-logG0= -0.018948 tlogG= -0.013704 logG= -0.032652 Density= 0.275253 ETOT(band)= 0.001593 trlgG= -0.037069 logG= -0.032652 TDE= -0.268319 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019159 tlogG= -0.010848 logG= -0.030007 Density= 0.271422 ETOT(band)= -0.001720 trlgG= -0.037753 logG= -0.030007 TDE= -0.267976 logGD-logG0= -0.000388 tlogG= 0.008620 logG= 0.008232 Density= 0.005720 ETOT(band)= 0.000073 trlgG= 0.008197 logG= 0.008232 TDE= -0.005519 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019178 tlogG= -0.011455 logG= -0.030633 Density= 0.275293 ETOT(band)= 0.001481 trlgG= -0.035160 logG= -0.030633 TDE= -0.268468 logGD-logG0= -0.018987 tlogG= -0.012340 logG= -0.031327 Density= 0.278881 ETOT(band)= 0.006787 trlgG= -0.030315 logG= -0.031327 TDE= -0.266368 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019306 tlogG= -0.012055 logG= -0.031361 Density= 0.281295 ETOT(band)= 0.007098 trlgG= -0.030503 logG= -0.031361 TDE= -0.268836 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019255 tlogG= -0.010174 logG= -0.029429 Density= 0.263949 ETOT(band)= -0.008088 trlgG= -0.043219 logG= -0.029429 TDE= -0.266855 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019073 tlogG= -0.012109 logG= -0.031182 Density= 0.278247 ETOT(band)= 0.004409 trlgG= -0.033020 logG= -0.031182 TDE= -0.268612 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019055 tlogG= -0.012256 logG= -0.031311 Density= 0.278054 ETOT(band)= 0.004808 trlgG= -0.032548 logG= -0.031311 TDE= -0.267824 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019593 tlogG= -0.012726 logG= -0.032319 logGD-logG0= -0.019271 tlogG= -0.010453 logG= -0.029724 Density= 0.289643 ETOT(band)= 0.015273 trlgG= -0.023420 logG= -0.032319 TDE= -0.268800 Density= 0.277982 ETOT(band)= 0.004881 trlgG= -0.030932 logG= -0.029724 TDE= -0.267726 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009665 tlogG= -0.004882 logG= -0.014546 Density= 0.130809 ETOT(band)= -0.005190 trlgG= -0.022535 logG= -0.014546 TDE= -0.133403 logGD-logG0= -0.018980 tlogG= -0.011634 logG= -0.030614 Density= 0.276558 ETOT(band)= 0.004340 trlgG= -0.032282 logG= -0.030614 TDE= -0.266822 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018879 tlogG= -0.013752 logG= -0.032631 Density= 0.275891 ETOT(band)= 0.003395 trlgG= -0.034850 logG= -0.032631 TDE= -0.266733 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009594 tlogG= -0.005470 logG= -0.015064 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.133166 ETOT(band)= -0.003470 trlgG= -0.021412 logG= -0.015064 TDE= -0.134022 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019207 tlogG= -0.010522 logG= -0.029729 Density= 0.274481 ETOT(band)= 0.002378 trlgG= -0.033275 logG= -0.029729 TDE= -0.266708 logGD-logG0= -0.019407 tlogG= -0.011908 logG= -0.031315 Density= 0.280072 ETOT(band)= 0.004611 trlgG= -0.033038 logG= -0.031315 TDE= -0.270246 logGD-logG0= -0.019197 tlogG= -0.011688 logG= -0.030885 Density= 0.270239 ETOT(band)= -0.004079 trlgG= -0.040990 logG= -0.030885 TDE= -0.269199 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019345 tlogG= -0.011138 logG= -0.030483 Density= 0.278029 ETOT(band)= 0.003958 trlgG= -0.032674 logG= -0.030483 TDE= -0.268756 logGD-logG0= -0.009659 tlogG= -0.005193 logG= -0.014852 Density= 0.139899 ETOT(band)= 0.003047 trlgG= -0.014905 logG= -0.014852 TDE= -0.134183 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019296 tlogG= -0.010084 logG= -0.029380 Density= 0.266955 ETOT(band)= -0.005964 trlgG= -0.041101 logG= -0.029380 TDE= -0.267668 logGD-logG0= -0.019246 tlogG= -0.010606 logG= -0.029852 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.272265 ETOT(band)= -0.001484 trlgG= -0.037206 logG= -0.029852 TDE= -0.268391 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009814 tlogG= -0.005961 logG= -0.015775 Density= 0.143997 ETOT(band)= 0.006595 trlgG= -0.012359 logG= -0.015775 TDE= -0.134643 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009601 tlogG= -0.005135 logG= -0.014736 Density= 0.136440 ETOT(band)= -0.000256 trlgG= -0.017788 logG= -0.014736 TDE= -0.133865 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009620 tlogG= -0.005272 logG= -0.014892 Density= 0.136894 ETOT(band)= 0.000075 trlgG= -0.017706 logG= -0.014892 TDE= -0.134062 logGD-logG0= -0.004808 tlogG= -0.002653 logG= -0.007461 Density= 0.068631 ETOT(band)= 0.000160 trlgG= -0.008794 logG= -0.007461 TDE= -0.067133 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009610 tlogG= -0.005496 logG= -0.015106 Density= 0.135888 ETOT(band)= -0.001093 trlgG= -0.019054 logG= -0.015106 TDE= -0.134232 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002443 tlogG= -0.001863 logG= -0.004306 Density= 0.036990 ETOT(band)= 0.002681 trlgG= -0.002447 logG= -0.004306 TDE= -0.033605 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002340 tlogG= -0.002344 logG= -0.004685 Density= 0.034891 ETOT(band)= 0.000992 trlgG= -0.004360 logG= -0.004685 TDE= -0.033128 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009452 tlogG= -0.007406 logG= -0.016858 Density= 0.137623 ETOT(band)= 0.001847 trlgG= -0.017644 logG= -0.016858 TDE= -0.132734 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009406 tlogG= -0.007751 logG= -0.017158 Density= 0.138623 ETOT(band)= 0.003097 trlgG= -0.016547 logG= -0.017158 TDE= -0.132296 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002388 tlogG= -0.001968 logG= -0.004356 Density= 0.035804 ETOT(band)= 0.001811 trlgG= -0.003239 logG= -0.004356 TDE= -0.033210 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009471 tlogG= -0.007323 logG= -0.016794 Density= 0.141001 ETOT(band)= 0.005423 trlgG= -0.014128 logG= -0.016794 TDE= -0.132521 logGD-logG0= -0.009419 tlogG= -0.008428 logG= -0.017847 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.140891 ETOT(band)= 0.005245 trlgG= -0.015291 logG= -0.017847 TDE= -0.132525 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009701 tlogG= -0.007172 logG= -0.016873 Density= 0.144878 ETOT(band)= 0.008566 trlgG= -0.011245 logG= -0.016873 TDE= -0.133276 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004695 tlogG= -0.004020 logG= -0.008714 Density= 0.069960 ETOT(band)= 0.002249 trlgG= -0.007764 logG= -0.008714 TDE= -0.066124 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009388 tlogG= -0.007979 logG= -0.017366 Density= 0.138887 ETOT(band)= 0.003474 trlgG= -0.016430 logG= -0.017366 TDE= -0.132223 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009460 tlogG= -0.006883 logG= -0.016344 Density= 0.139387 ETOT(band)= 0.004127 trlgG= -0.014882 logG= -0.016344 TDE= -0.132177 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009624 tlogG= -0.005325 logG= -0.014949 Density= 0.133881 ETOT(band)= -0.001618 trlgG= -0.019458 logG= -0.014949 TDE= -0.132869 logGD-logG0= -0.009355 tlogG= -0.008814 logG= -0.018169 logGD-logG0= -0.009510 tlogG= -0.006352 logG= -0.015862 Density= 0.137486 ETOT(band)= 0.001907 trlgG= -0.016881 logG= -0.015862 TDE= -0.132836 Density= 0.139476 ETOT(band)= 0.003903 trlgG= -0.016813 logG= -0.018169 TDE= -0.132369 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004787 tlogG= -0.002823 logG= -0.007611 Density= 0.068466 ETOT(band)= 0.000933 trlgG= -0.008103 logG= -0.007611 TDE= -0.066135 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018819 tlogG= -0.015755 logG= -0.034575 Density= 0.280468 ETOT(band)= 0.009491 trlgG= -0.030302 logG= -0.034575 TDE= -0.264630 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019157 tlogG= -0.013226 logG= -0.032382 Density= 0.284653 ETOT(band)= 0.013014 trlgG= -0.025251 logG= -0.032382 TDE= -0.265784 logGD-logG0= -0.009354 tlogG= -0.009043 logG= -0.018397 Density= 0.139667 ETOT(band)= 0.004090 trlgG= -0.016922 logG= -0.018397 TDE= -0.132433 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009655 tlogG= -0.005023 logG= -0.014678 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.130611 ETOT(band)= -0.004669 trlgG= -0.022129 logG= -0.014678 TDE= -0.132677 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009823 tlogG= -0.006702 logG= -0.016525 Density= 0.145821 ETOT(band)= 0.009087 trlgG= -0.010691 logG= -0.016525 TDE= -0.133973 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009682 tlogG= -0.005688 logG= -0.015370 Density= 0.141418 ETOT(band)= 0.005538 trlgG= -0.012943 logG= -0.015370 TDE= -0.133159 logGD-logG0= -0.009514 tlogG= -0.007523 logG= -0.017037 Density= 0.142479 ETOT(band)= 0.006711 trlgG= -0.013090 logG= -0.017037 TDE= -0.132656 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018931 tlogG= -0.013978 logG= -0.032910 Density= 0.277632 ETOT(band)= 0.006648 trlgG= -0.031503 logG= -0.032910 TDE= -0.264776 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019099 tlogG= -0.011691 logG= -0.030791 Density= 0.277064 ETOT(band)= 0.006349 trlgG= -0.030265 logG= -0.030791 TDE= -0.265113 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009496 tlogG= -0.006664 logG= -0.016159 Density= 0.140827 ETOT(band)= 0.005498 trlgG= -0.013525 logG= -0.016159 TDE= -0.132385 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003108 tlogG= 0.069088 logG= 0.065980 Density= 0.045878 ETOT(band)= 0.000710 trlgG= 0.065811 logG= 0.065980 TDE= -0.044155 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003138 tlogG= 0.069772 logG= 0.066633 Density= 0.046297 ETOT(band)= 0.001130 trlgG= 0.066924 logG= 0.066633 TDE= -0.044098 logGD-logG0= -0.003119 tlogG= 0.069373 logG= 0.066254 Density= 0.046227 ETOT(band)= 0.001031 trlgG= 0.066431 logG= 0.066254 TDE= -0.044145 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002332 tlogG= 0.051836 logG= 0.049504 Density= 0.034471 ETOT(band)= 0.000582 trlgG= 0.049434 logG= 0.049504 TDE= -0.033119 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009351 tlogG= 0.208139 logG= 0.198788 Density= 0.138651 ETOT(band)= 0.003122 trlgG= 0.199263 logG= 0.198788 TDE= -0.132458 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004667 tlogG= 0.103886 logG= 0.099219 Density= 0.069183 ETOT(band)= 0.001396 trlgG= 0.099318 logG= 0.099219 TDE= -0.066231 logGD-logG0= -0.009388 tlogG= 0.208839 logG= 0.199451 Density= 0.139150 ETOT(band)= 0.003646 trlgG= 0.200483 logG= 0.199451 TDE= -0.132380 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.80037542324745 eV TrLogG= -13.8297145175607 eV Ratio to renormalize= 0.999999999719 rho-rho_expected= 0.000000004500 nargs= 1 argi=dmft2.def 8) Finished k-point number 9 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 72) Finished k-point number 73 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 42) Finished k-point number 43 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 76) Finished k-point number 77 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 102) Finished k-point number 103 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 30) Finished k-point number 31 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 40) Finished k-point number 41 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 60) Finished k-point number 61 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 101) Finished k-point number 102 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 32) Finished k-point number 33 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930988786438216 0.927486833260647 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 7) Finished k-point number 8 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 6) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 15) Finished k-point number 16 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 16) Finished k-point number 17 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 24) Finished k-point number 25 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 45) Finished k-point number 46 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 39) Finished k-point number 40 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 101) Finished k-point number 102 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 103) Finished k-point number 104 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 72) Finished k-point number 73 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 41) Finished k-point number 42 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0446368912325 Density= 15.9634392706183 16.0000000000000 EF 13.3167507233461 Density= 16.4705647185965 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97876321 0.95876321 0.470565 -0.365607E-01 1 0.96876321 0.95876323 0.225769 -0.365607E-01 2 0.96376322 0.95876346 0.974800E-01 -0.365607E-01 3 0.96126334 0.95876358 0.313522E-01 -0.365607E-01 4 0.96010082 0.95876358 0.193075E-04 -0.365607E-01 5 0.96010011 0.95876358 0.511205E-08 -0.365607E-01 6 0.96010011 0.96010011 -0.532907E-14 0.511205E-08 Absolute convergence of |F(X)|. Difference in EF= 0.0181894420 EF set to : 13.0628263332 new EF (no-mixing): 13.0628263332 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001220 tlogG= -0.001250 logG= -0.002470 Density= 0.018958 ETOT(band)= 0.001240 trlgG= -0.001647 logG= -0.002470 TDE= -0.017378 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009734 tlogG= -0.009543 logG= -0.019278 Density= 0.151558 ETOT(band)= 0.010171 trlgG= -0.012440 logG= -0.019278 TDE= -0.138673 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002432 tlogG= -0.002407 logG= -0.004839 Density= 0.037864 ETOT(band)= 0.002573 trlgG= -0.003102 logG= -0.004839 TDE= -0.034617 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004863 tlogG= -0.004624 logG= -0.009487 Density= 0.075753 ETOT(band)= 0.005165 trlgG= -0.005990 logG= -0.009487 TDE= -0.069233 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002437 tlogG= -0.002083 logG= -0.004520 Density= 0.037418 ETOT(band)= 0.002610 trlgG= -0.002790 logG= -0.004520 TDE= -0.034196 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009781 tlogG= -0.006707 logG= -0.016487 Density= 0.144094 ETOT(band)= 0.005411 trlgG= -0.014359 logG= -0.016487 TDE= -0.136217 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009761 tlogG= -0.008079 logG= -0.017841 logGD-logG0= -0.009765 tlogG= -0.008685 logG= -0.018450 Density= 0.150629 ETOT(band)= 0.010639 trlgG= -0.011276 logG= -0.018450 TDE= -0.137445 Density= 0.150437 ETOT(band)= 0.010567 trlgG= -0.010721 logG= -0.017841 TDE= -0.137315 logGD-logG0= -0.004883 tlogG= -0.004202 logG= -0.009086 Density= 0.075411 ETOT(band)= 0.005197 trlgG= -0.005620 logG= -0.009086 TDE= -0.068936 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001591 tlogG= -0.001322 logG= -0.002913 Density= 0.022765 ETOT(band)= -0.000145 trlgG= -0.003516 logG= -0.002913 TDE= -0.022460 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009776 tlogG= -0.008818 logG= -0.018594 Density= 0.151075 ETOT(band)= 0.010629 trlgG= -0.011389 logG= -0.018594 TDE= -0.137842 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009736 tlogG= -0.007821 logG= -0.017556 Density= 0.149842 ETOT(band)= 0.011023 trlgG= -0.009946 logG= -0.017556 TDE= -0.136253 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019498 tlogG= -0.014818 logG= -0.034316 Density= 0.299146 ETOT(band)= 0.021252 trlgG= -0.019768 logG= -0.034316 TDE= -0.272661 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019522 tlogG= -0.015935 logG= -0.035456 Density= 0.301014 ETOT(band)= 0.021043 trlgG= -0.021312 logG= -0.035456 TDE= -0.274859 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009774 tlogG= -0.006660 logG= -0.016434 Density= 0.147399 ETOT(band)= 0.008769 trlgG= -0.011013 logG= -0.016434 TDE= -0.136097 logGD-logG0= -0.004862 tlogG= -0.003578 logG= -0.008440 Density= 0.074760 ETOT(band)= 0.005084 trlgG= -0.005009 logG= -0.008440 TDE= -0.068347 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003175 tlogG= -0.002540 logG= -0.005715 Density= 0.045352 ETOT(band)= -0.000293 trlgG= -0.006964 logG= -0.005715 TDE= -0.044792 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009530 tlogG= -0.007404 logG= -0.016934 Density= 0.136545 ETOT(band)= -0.000493 trlgG= -0.020348 logG= -0.016934 TDE= -0.134511 logGD-logG0= -0.003128 tlogG= -0.002614 logG= -0.005742 Density= 0.045865 ETOT(band)= 0.000632 trlgG= -0.005914 logG= -0.005742 TDE= -0.044207 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009538 tlogG= -0.007489 logG= -0.017027 Density= 0.136678 ETOT(band)= -0.000546 trlgG= -0.020479 logG= -0.017027 TDE= -0.134676 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003157 tlogG= -0.002565 logG= -0.005722 Density= 0.045589 ETOT(band)= 0.000120 trlgG= -0.006485 logG= -0.005722 TDE= -0.044532 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009515 tlogG= -0.007329 logG= -0.016844 Density= 0.136591 ETOT(band)= -0.000102 trlgG= -0.019834 logG= -0.016844 TDE= -0.134131 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009457 tlogG= -0.007393 logG= -0.016851 Density= 0.137271 ETOT(band)= 0.001214 trlgG= -0.018277 logG= -0.016851 TDE= -0.133221 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009543 tlogG= -0.006875 logG= -0.016418 Density= 0.138410 ETOT(band)= 0.001824 trlgG= -0.017400 logG= -0.016418 TDE= -0.133870 logGD-logG0= -0.009839 tlogG= -0.007170 logG= -0.017009 logGD-logG0= -0.009547 tlogG= -0.006693 logG= -0.016240 Density= 0.147726 ETOT(band)= 0.009461 trlgG= -0.010927 logG= -0.017009 TDE= -0.135750 Density= 0.137829 ETOT(band)= 0.000868 trlgG= -0.018397 logG= -0.016240 TDE= -0.134487 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009493 tlogG= -0.007361 logG= -0.016854 Density= 0.136826 ETOT(band)= 0.000309 trlgG= -0.019347 logG= -0.016854 TDE= -0.133859 logGD-logG0= -0.009778 tlogG= -0.007584 logG= -0.017362 Density= 0.148980 ETOT(band)= 0.010988 trlgG= -0.009771 logG= -0.017362 TDE= -0.135445 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009813 tlogG= -0.006544 logG= -0.016357 logGD-logG0= -0.009555 tlogG= -0.006658 logG= -0.016213 Density= 0.142618 ETOT(band)= 0.004637 trlgG= -0.014881 logG= -0.016357 TDE= -0.135451 Density= 0.137771 ETOT(band)= 0.000888 trlgG= -0.018382 logG= -0.016213 TDE= -0.134443 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009603 tlogG= -0.005973 logG= -0.015576 Density= 0.137997 ETOT(band)= 0.001149 trlgG= -0.017445 logG= -0.015576 TDE= -0.134360 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009520 tlogG= -0.006561 logG= -0.016081 Density= 0.137592 ETOT(band)= 0.001126 trlgG= -0.017921 logG= -0.016081 TDE= -0.133943 logGD-logG0= -0.004820 tlogG= -0.003114 logG= -0.007934 Density= 0.067533 ETOT(band)= -0.001191 trlgG= -0.010594 logG= -0.007934 TDE= -0.067498 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009643 tlogG= -0.006391 logG= -0.016034 Density= 0.140258 ETOT(band)= 0.003551 trlgG= -0.015384 logG= -0.016034 TDE= -0.134012 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009583 tlogG= -0.005650 logG= -0.015233 Density= 0.136833 ETOT(band)= 0.000519 trlgG= -0.017728 logG= -0.015233 TDE= -0.133869 logGD-logG0= -0.009629 tlogG= -0.005665 logG= -0.015294 Density= 0.133766 ETOT(band)= -0.002884 trlgG= -0.021071 logG= -0.015294 TDE= -0.134206 logGD-logG0= -0.004831 tlogG= -0.002591 logG= -0.007422 Density= 0.065498 ETOT(band)= -0.002460 trlgG= -0.011211 logG= -0.007422 TDE= -0.066673 logGD-logG0= -0.009648 tlogG= -0.006053 logG= -0.015701 Density= 0.135731 ETOT(band)= -0.001380 trlgG= -0.020033 logG= -0.015701 TDE= -0.134647 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009713 tlogG= -0.006605 logG= -0.016318 Density= 0.143613 ETOT(band)= 0.007090 trlgG= -0.012222 logG= -0.016318 TDE= -0.133787 logGD-logG0= -0.009619 tlogG= -0.006172 logG= -0.015791 Density= 0.138582 ETOT(band)= 0.001703 trlgG= -0.017032 logG= -0.015791 TDE= -0.134294 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009488 tlogG= -0.006851 logG= -0.016339 Density= 0.138980 ETOT(band)= 0.003115 trlgG= -0.015898 logG= -0.016339 TDE= -0.132993 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009539 tlogG= -0.006889 logG= -0.016428 Density= 0.137433 ETOT(band)= 0.000404 trlgG= -0.019061 logG= -0.016428 TDE= -0.134583 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019069 tlogG= -0.013776 logG= -0.032845 Density= 0.275040 ETOT(band)= 0.001442 trlgG= -0.037346 logG= -0.032845 TDE= -0.268567 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019681 tlogG= -0.012835 logG= -0.032516 Density= 0.285500 ETOT(band)= 0.009025 trlgG= -0.029922 logG= -0.032516 TDE= -0.271516 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019371 tlogG= -0.010246 logG= -0.029617 Density= 0.264636 ETOT(band)= -0.007355 trlgG= -0.042642 logG= -0.029617 TDE= -0.267103 logGD-logG0= -0.019282 tlogG= -0.010918 logG= -0.030199 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.271376 ETOT(band)= -0.001713 trlgG= -0.037876 logG= -0.030199 TDE= -0.268224 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019196 tlogG= -0.012181 logG= -0.031377 Density= 0.278164 ETOT(band)= 0.004381 trlgG= -0.033173 logG= -0.031377 TDE= -0.268861 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009859 tlogG= -0.006553 logG= -0.016413 Density= 0.143333 ETOT(band)= 0.004808 trlgG= -0.014872 logG= -0.016413 TDE= -0.136073 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019108 tlogG= -0.012416 logG= -0.031524 Density= 0.278813 ETOT(band)= 0.006773 trlgG= -0.030492 logG= -0.031524 TDE= -0.266657 logGD-logG0= -0.019435 tlogG= -0.012129 logG= -0.031564 Density= 0.281465 ETOT(band)= 0.007308 trlgG= -0.030417 logG= -0.031564 TDE= -0.269087 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019179 tlogG= -0.012028 logG= -0.031207 Density= 0.277837 ETOT(band)= 0.004354 trlgG= -0.032987 logG= -0.031207 TDE= -0.268532 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019719 tlogG= -0.012822 logG= -0.032541 Density= 0.290011 ETOT(band)= 0.015692 trlgG= -0.023153 logG= -0.032541 TDE= -0.269051 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019302 tlogG= -0.011524 logG= -0.030826 logGD-logG0= -0.018998 tlogG= -0.013825 logG= -0.032824 Density= 0.275215 ETOT(band)= 0.001452 trlgG= -0.035310 logG= -0.030826 TDE= -0.268718 Density= 0.275702 ETOT(band)= 0.003269 trlgG= -0.035102 logG= -0.032824 TDE= -0.266980 logGD-logG0= -0.019177 tlogG= -0.012330 logG= -0.031507 Density= 0.277956 ETOT(band)= 0.004765 trlgG= -0.032715 logG= -0.031507 TDE= -0.268074 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019330 tlogG= -0.010606 logG= -0.029936 logGD-logG0= -0.000390 tlogG= 0.008631 logG= 0.008241 Density= 0.005715 ETOT(band)= 0.000070 trlgG= 0.008204 logG= 0.008241 TDE= -0.005525 Density= 0.275074 ETOT(band)= 0.003010 trlgG= -0.032836 logG= -0.029936 TDE= -0.266998 logGD-logG0= -0.009656 tlogG= -0.005494 logG= -0.015150 Density= 0.133135 ETOT(band)= -0.003469 trlgG= -0.021453 logG= -0.015150 TDE= -0.134125 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019104 tlogG= -0.011700 logG= -0.030804 Density= 0.276428 ETOT(band)= 0.004267 trlgG= -0.032476 logG= -0.030804 TDE= -0.267070 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019320 tlogG= -0.011750 logG= -0.031070 Density= 0.269942 ETOT(band)= -0.004320 trlgG= -0.041306 logG= -0.031070 TDE= -0.269407 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019539 tlogG= -0.011978 logG= -0.031517 Density= 0.280294 ETOT(band)= 0.004870 trlgG= -0.032904 logG= -0.031517 TDE= -0.270497 logGD-logG0= -0.009734 tlogG= -0.004901 logG= -0.014634 Density= 0.131252 ETOT(band)= -0.004734 trlgG= -0.022163 logG= -0.014634 TDE= -0.133544 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019395 tlogG= -0.010526 logG= -0.029921 Density= 0.278268 ETOT(band)= 0.005212 trlgG= -0.030732 logG= -0.029921 TDE= -0.267976 logGD-logG0= -0.019476 tlogG= -0.011213 logG= -0.030689 Density= 0.278293 ETOT(band)= 0.004259 trlgG= -0.032505 logG= -0.030689 TDE= -0.269006 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019370 tlogG= -0.010675 logG= -0.030044 logGD-logG0= -0.009672 tlogG= -0.005530 logG= -0.015203 Density= 0.272272 ETOT(band)= -0.001428 trlgG= -0.037276 logG= -0.030044 TDE= -0.268640 Density= 0.135770 ETOT(band)= -0.001182 trlgG= -0.019186 logG= -0.015203 TDE= -0.134337 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019415 tlogG= -0.010152 logG= -0.029567 Density= 0.267434 ETOT(band)= -0.005441 trlgG= -0.040720 logG= -0.029567 TDE= -0.267916 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009876 tlogG= -0.006010 logG= -0.015886 logGD-logG0= -0.009661 tlogG= -0.005170 logG= -0.014832 Density= 0.144239 ETOT(band)= 0.006860 trlgG= -0.012170 logG= -0.015886 TDE= -0.134769 Density= 0.136333 ETOT(band)= -0.000334 trlgG= -0.017925 logG= -0.014832 TDE= -0.133987 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009723 tlogG= -0.005233 logG= -0.014955 Density= 0.140017 ETOT(band)= 0.003191 trlgG= -0.014833 logG= -0.014955 TDE= -0.134308 logGD-logG0= -0.004839 tlogG= -0.002670 logG= -0.007509 Density= 0.068583 ETOT(band)= 0.000125 trlgG= -0.008858 logG= -0.007509 TDE= -0.067195 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009681 tlogG= -0.005307 logG= -0.014988 Density= 0.136850 ETOT(band)= 0.000056 trlgG= -0.017786 logG= -0.014988 TDE= -0.134187 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002458 tlogG= -0.001876 logG= -0.004335 logGD-logG0= -0.009412 tlogG= -0.008849 logG= -0.018261 Density= 0.037011 ETOT(band)= 0.002711 trlgG= -0.002437 logG= -0.004335 TDE= -0.033637 Density= 0.139425 ETOT(band)= 0.003884 trlgG= -0.016891 logG= -0.018261 TDE= -0.132492 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002355 tlogG= -0.002353 logG= -0.004708 Density= 0.034878 ETOT(band)= 0.000987 trlgG= -0.004381 logG= -0.004708 TDE= -0.033159 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009511 tlogG= -0.007439 logG= -0.016950 Density= 0.137520 ETOT(band)= 0.001776 trlgG= -0.017774 logG= -0.016950 TDE= -0.132856 logGD-logG0= -0.009478 tlogG= -0.008466 logG= -0.017944 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.140887 ETOT(band)= 0.005271 trlgG= -0.015328 logG= -0.017944 TDE= -0.132650 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002403 tlogG= -0.001978 logG= -0.004382 Density= 0.035826 ETOT(band)= 0.001839 trlgG= -0.003227 logG= -0.004382 TDE= -0.033242 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009768 tlogG= -0.007214 logG= -0.016981 Density= 0.145044 ETOT(band)= 0.008761 trlgG= -0.011126 logG= -0.016981 TDE= -0.133401 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004724 tlogG= -0.004039 logG= -0.008764 Density= 0.069942 ETOT(band)= 0.002248 trlgG= -0.007799 logG= -0.008764 TDE= -0.066186 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009531 tlogG= -0.007360 logG= -0.016891 Density= 0.141014 ETOT(band)= 0.005464 trlgG= -0.014167 logG= -0.016891 TDE= -0.132664 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009446 tlogG= -0.008013 logG= -0.017459 Density= 0.138822 ETOT(band)= 0.003442 trlgG= -0.016522 logG= -0.017459 TDE= -0.132346 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009520 tlogG= -0.006922 logG= -0.016443 Density= 0.139337 ETOT(band)= 0.004109 trlgG= -0.014984 logG= -0.016443 TDE= -0.132320 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018937 tlogG= -0.015830 logG= -0.034766 Density= 0.280422 ETOT(band)= 0.009507 trlgG= -0.030420 logG= -0.034766 TDE= -0.264887 logGD-logG0= -0.009570 tlogG= -0.006387 logG= -0.015957 logGD-logG0= -0.009683 tlogG= -0.005359 logG= -0.015041 Density= 0.137370 ETOT(band)= 0.001821 trlgG= -0.017028 logG= -0.015957 TDE= -0.132959 Density= 0.134113 ETOT(band)= -0.001358 trlgG= -0.019272 logG= -0.015041 TDE= -0.132993 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019281 tlogG= -0.013302 logG= -0.032583 Density= 0.284809 ETOT(band)= 0.013222 trlgG= -0.025211 logG= -0.032583 TDE= -0.266074 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009412 tlogG= -0.009080 logG= -0.018491 Density= 0.139620 ETOT(band)= 0.004075 trlgG= -0.016999 logG= -0.018491 TDE= -0.132556 logGD-logG0= -0.009465 tlogG= -0.007786 logG= -0.017251 Density= 0.138552 ETOT(band)= 0.003058 trlgG= -0.016646 logG= -0.017251 TDE= -0.132419 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004817 tlogG= -0.002841 logG= -0.007658 logGD-logG0= -0.009882 tlogG= -0.006755 logG= -0.016637 Density= 0.068512 ETOT(band)= 0.000993 trlgG= -0.008086 logG= -0.007658 TDE= -0.066206 Density= 0.145987 ETOT(band)= 0.009283 trlgG= -0.010574 logG= -0.016637 TDE= -0.134099 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009575 tlogG= -0.007562 logG= -0.017137 Density= 0.142541 ETOT(band)= 0.006802 trlgG= -0.013079 logG= -0.017137 TDE= -0.132795 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009720 tlogG= -0.005039 logG= -0.014759 Density= 0.130991 ETOT(band)= -0.004273 trlgG= -0.021814 logG= -0.014759 TDE= -0.132819 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019049 tlogG= -0.014045 logG= -0.033095 Density= 0.277500 ETOT(band)= 0.006578 trlgG= -0.031725 logG= -0.033095 TDE= -0.265059 logGD-logG0= -0.009747 tlogG= -0.005727 logG= -0.015473 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.141579 ETOT(band)= 0.005721 trlgG= -0.012848 logG= -0.015473 TDE= -0.133305 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019218 tlogG= -0.011760 logG= -0.030979 Density= 0.276964 ETOT(band)= 0.006303 trlgG= -0.030467 logG= -0.030979 TDE= -0.265401 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009555 tlogG= -0.006699 logG= -0.016254 Density= 0.140829 ETOT(band)= 0.005528 trlgG= -0.013573 logG= -0.016254 TDE= -0.132529 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003138 tlogG= 0.069463 logG= 0.066325 Density= 0.046202 ETOT(band)= 0.001017 trlgG= 0.066498 logG= 0.066325 TDE= -0.044186 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003158 tlogG= 0.069861 logG= 0.066703 Density= 0.046275 ETOT(band)= 0.001119 trlgG= 0.066993 logG= 0.066703 TDE= -0.044139 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003127 tlogG= 0.069179 logG= 0.066051 Density= 0.045843 ETOT(band)= 0.000687 trlgG= 0.065870 logG= 0.066051 TDE= -0.044195 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002346 tlogG= 0.051903 logG= 0.049557 Density= 0.034446 ETOT(band)= 0.000567 trlgG= 0.049479 logG= 0.049557 TDE= -0.033150 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004696 tlogG= 0.104022 logG= 0.099326 Density= 0.069140 ETOT(band)= 0.001370 trlgG= 0.099415 logG= 0.099326 TDE= -0.066292 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009446 tlogG= 0.209109 logG= 0.199663 Density= 0.139088 ETOT(band)= 0.003617 trlgG= 0.200698 logG= 0.199663 TDE= -0.132504 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009409 tlogG= 0.208407 logG= 0.198999 Density= 0.138573 ETOT(band)= 0.003078 trlgG= 0.199462 logG= 0.198999 TDE= -0.132581 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.84222202120693 eV TrLogG= -13.8750815782511 eV Ratio to renormalize= 0.999999999726 rho-rho_expected= 0.000000004392 nargs= 1 argi=dmft2.def 15) Finished k-point number 16 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 51) Finished k-point number 52 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 20 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 83) Finished k-point number 84 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 89) Finished k-point number 90 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930975961345377 0.927529688319050 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 33) Finished k-point number 34 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0628263332192 Density= 15.9974708579522 16.0000000000000 EF 13.3349401653328 Density= 16.5002762803985 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98010011 0.96010011 0.500276 -0.252914E-02 1 0.97010011 0.96010013 0.257055 -0.252914E-02 2 0.96510012 0.96009988 0.129870 -0.252914E-02 3 0.96260000 0.96010001 0.644634E-01 -0.252914E-02 4 0.96135000 0.96009995 0.311886E-01 -0.252914E-02 5 0.96072498 0.96009974 0.143863E-01 -0.252914E-02 6 0.96041236 0.96009984 0.593863E-02 -0.252914E-02 7 0.96025610 0.96010003 0.170489E-02 -0.252914E-02 8 0.96019325 0.96025610 -0.344776E-07 0.170489E-02 9 0.96019325 0.96019325 0.125695E-10 -0.344776E-07 Absolute convergence of |F(X)|. Difference in EF= 0.0012672670 EF set to : 13.0640936002 new EF (no-mixing): 13.0640936002 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001220 tlogG= -0.001251 logG= -0.002470 Density= 0.018957 ETOT(band)= 0.001240 trlgG= -0.001646 logG= -0.002470 TDE= -0.017378 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009735 tlogG= -0.009545 logG= -0.019280 Density= 0.151550 ETOT(band)= 0.010176 trlgG= -0.012438 logG= -0.019280 TDE= -0.138676 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002432 tlogG= -0.002407 logG= -0.004839 Density= 0.037862 ETOT(band)= 0.002574 trlgG= -0.003102 logG= -0.004839 TDE= -0.034618 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004863 tlogG= -0.004625 logG= -0.009488 Density= 0.075748 ETOT(band)= 0.005167 trlgG= -0.005989 logG= -0.009488 TDE= -0.069234 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002437 tlogG= -0.002083 logG= -0.004520 Density= 0.037415 ETOT(band)= 0.002610 trlgG= -0.002791 logG= -0.004520 TDE= -0.034197 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001591 tlogG= -0.001322 logG= -0.002914 Density= 0.022764 ETOT(band)= -0.000143 trlgG= -0.003516 logG= -0.002914 TDE= -0.022460 logGD-logG0= -0.009762 tlogG= -0.008080 logG= -0.017842 Density= 0.150428 ETOT(band)= 0.010570 trlgG= -0.010720 logG= -0.017842 TDE= -0.137318 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009781 tlogG= -0.006707 logG= -0.016487 Density= 0.144111 ETOT(band)= 0.005440 trlgG= -0.014332 logG= -0.016487 TDE= -0.136220 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004884 tlogG= -0.004203 logG= -0.009086 Density= 0.075406 ETOT(band)= 0.005199 trlgG= -0.005619 logG= -0.009086 TDE= -0.068938 logGD-logG0= -0.009766 tlogG= -0.008686 logG= -0.018452 Density= 0.150619 ETOT(band)= 0.010641 trlgG= -0.011277 logG= -0.018452 TDE= -0.137448 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009777 tlogG= -0.008818 logG= -0.018595 Density= 0.151066 ETOT(band)= 0.010632 trlgG= -0.011388 logG= -0.018595 TDE= -0.137846 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009736 tlogG= -0.007821 logG= -0.017557 Density= 0.149832 ETOT(band)= 0.011025 trlgG= -0.009946 logG= -0.017557 TDE= -0.136257 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019499 tlogG= -0.014818 logG= -0.034317 Density= 0.299126 ETOT(band)= 0.021258 trlgG= -0.019766 logG= -0.034317 TDE= -0.272668 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019522 tlogG= -0.015936 logG= -0.035458 Density= 0.300993 ETOT(band)= 0.021047 trlgG= -0.021312 logG= -0.035458 TDE= -0.274866 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009774 tlogG= -0.006660 logG= -0.016435 Density= 0.147393 ETOT(band)= 0.008776 trlgG= -0.011009 logG= -0.016435 TDE= -0.136100 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004862 tlogG= -0.003578 logG= -0.008440 Density= 0.074757 ETOT(band)= 0.005087 trlgG= -0.005007 logG= -0.008440 TDE= -0.068349 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003175 tlogG= -0.002538 logG= -0.005713 Density= 0.045349 ETOT(band)= -0.000291 trlgG= -0.006961 logG= -0.005713 TDE= -0.044792 logGD-logG0= -0.003157 tlogG= -0.002564 logG= -0.005721 logGD-logG0= -0.003129 tlogG= -0.002614 logG= -0.005742 Density= 0.045587 ETOT(band)= 0.000122 trlgG= -0.006482 logG= -0.005721 TDE= -0.044533 Density= 0.045864 ETOT(band)= 0.000635 trlgG= -0.005912 logG= -0.005742 TDE= -0.044207 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009530 tlogG= -0.007403 logG= -0.016933 Density= 0.136540 ETOT(band)= -0.000486 trlgG= -0.020341 logG= -0.016933 TDE= -0.134513 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009538 tlogG= -0.007491 logG= -0.017029 Density= 0.136674 ETOT(band)= -0.000537 trlgG= -0.020473 logG= -0.017029 TDE= -0.134677 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009515 tlogG= -0.007326 logG= -0.016842 Density= 0.136586 ETOT(band)= -0.000094 trlgG= -0.019825 logG= -0.016842 TDE= -0.134133 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009458 tlogG= -0.007391 logG= -0.016849 Density= 0.137267 ETOT(band)= 0.001223 trlgG= -0.018268 logG= -0.016849 TDE= -0.133222 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009547 tlogG= -0.006691 logG= -0.016238 Density= 0.137826 ETOT(band)= 0.000876 trlgG= -0.018387 logG= -0.016238 TDE= -0.134489 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009814 tlogG= -0.006544 logG= -0.016358 Density= 0.142628 ETOT(band)= 0.004659 trlgG= -0.014861 logG= -0.016358 TDE= -0.135453 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009519 tlogG= -0.006559 logG= -0.016077 Density= 0.137588 ETOT(band)= 0.001134 trlgG= -0.017911 logG= -0.016077 TDE= -0.133944 logGD-logG0= -0.009779 tlogG= -0.007584 logG= -0.017363 Density= 0.148970 ETOT(band)= 0.010991 trlgG= -0.009770 logG= -0.017363 TDE= -0.135448 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009840 tlogG= -0.007173 logG= -0.017013 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.147724 ETOT(band)= 0.009472 trlgG= -0.010922 logG= -0.017013 TDE= -0.135753 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009644 tlogG= -0.006391 logG= -0.016035 Density= 0.140261 ETOT(band)= 0.003566 trlgG= -0.015371 logG= -0.016035 TDE= -0.134014 logGD-logG0= -0.009494 tlogG= -0.007360 logG= -0.016854 Density= 0.136820 ETOT(band)= 0.000316 trlgG= -0.019341 logG= -0.016854 TDE= -0.133861 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009602 tlogG= -0.005970 logG= -0.015572 Density= 0.137996 ETOT(band)= 0.001160 trlgG= -0.017432 logG= -0.015572 TDE= -0.134363 logGD-logG0= -0.009629 tlogG= -0.005664 logG= -0.015293 logGD-logG0= -0.009648 tlogG= -0.006051 logG= -0.015699 Density= 0.135728 ETOT(band)= -0.001371 trlgG= -0.020023 logG= -0.015699 TDE= -0.134649 Density= 0.133761 ETOT(band)= -0.002877 trlgG= -0.021064 logG= -0.015293 TDE= -0.134208 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004820 tlogG= -0.003117 logG= -0.007937 Density= 0.067537 ETOT(band)= -0.001179 trlgG= -0.010586 logG= -0.007937 TDE= -0.067499 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009555 tlogG= -0.006656 logG= -0.016212 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137769 ETOT(band)= 0.000899 trlgG= -0.018372 logG= -0.016212 TDE= -0.134445 logGD-logG0= -0.009489 tlogG= -0.006848 logG= -0.016337 Density= 0.138979 ETOT(band)= 0.003127 trlgG= -0.015885 logG= -0.016337 TDE= -0.132995 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009542 tlogG= -0.006871 logG= -0.016413 Density= 0.138408 ETOT(band)= 0.001833 trlgG= -0.017387 logG= -0.016413 TDE= -0.133872 logGD-logG0= -0.009714 tlogG= -0.006604 logG= -0.016318 logGD-logG0= -0.009583 tlogG= -0.005651 logG= -0.015235 Density= 0.136834 ETOT(band)= 0.000533 trlgG= -0.017718 logG= -0.015235 TDE= -0.133871 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.143615 ETOT(band)= 0.007104 trlgG= -0.012209 logG= -0.016318 TDE= -0.133790 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004831 tlogG= -0.002592 logG= -0.007423 Density= 0.065506 ETOT(band)= -0.002446 trlgG= -0.011198 logG= -0.007423 TDE= -0.066674 logGD-logG0= -0.009619 tlogG= -0.006172 logG= -0.015791 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138583 ETOT(band)= 0.001715 trlgG= -0.017021 logG= -0.015791 TDE= -0.134296 logGD-logG0= -0.009540 tlogG= -0.006880 logG= -0.016420 Density= 0.137433 ETOT(band)= 0.000417 trlgG= -0.019043 logG= -0.016420 TDE= -0.134585 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019682 tlogG= -0.012834 logG= -0.032516 Density= 0.285519 ETOT(band)= 0.009066 trlgG= -0.029884 logG= -0.032516 TDE= -0.271522 logGD-logG0= -0.009860 tlogG= -0.006553 logG= -0.016413 Density= 0.143344 ETOT(band)= 0.004830 trlgG= -0.014852 logG= -0.016413 TDE= -0.136076 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019069 tlogG= -0.013777 logG= -0.032845 Density= 0.275032 ETOT(band)= 0.001458 trlgG= -0.037333 logG= -0.032845 TDE= -0.268571 logGD-logG0= -0.019195 tlogG= -0.012177 logG= -0.031373 Density= 0.278165 ETOT(band)= 0.004405 trlgG= -0.033147 logG= -0.031373 TDE= -0.268866 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019176 tlogG= -0.012027 logG= -0.031203 Density= 0.277827 ETOT(band)= 0.004366 trlgG= -0.032971 logG= -0.031203 TDE= -0.268536 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019284 tlogG= -0.010917 logG= -0.030201 Density= 0.271378 ETOT(band)= -0.001685 trlgG= -0.037854 logG= -0.030201 TDE= -0.268229 logGD-logG0= -0.019437 tlogG= -0.012129 logG= -0.031566 logGD-logG0= -0.019175 tlogG= -0.012326 logG= -0.031502 Density= 0.277956 ETOT(band)= 0.004789 trlgG= -0.032688 logG= -0.031502 TDE= -0.268078 Density= 0.281478 ETOT(band)= 0.007346 trlgG= -0.030385 logG= -0.031566 TDE= -0.269092 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019301 tlogG= -0.011520 logG= -0.030822 logGD-logG0= -0.018999 tlogG= -0.013818 logG= -0.032817 Density= 0.275221 ETOT(band)= 0.001481 trlgG= -0.035279 logG= -0.030822 TDE= -0.268722 Density= 0.275695 ETOT(band)= 0.003288 trlgG= -0.035080 logG= -0.032817 TDE= -0.266984 logGD-logG0= -0.000390 tlogG= 0.008632 logG= 0.008242 logGD-logG0= -0.019720 tlogG= -0.012822 logG= -0.032542 Density= 0.290008 ETOT(band)= 0.015714 trlgG= -0.023135 logG= -0.032542 TDE= -0.269056 Density= 0.005715 ETOT(band)= 0.000070 trlgG= 0.008205 logG= 0.008242 TDE= -0.005525 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019108 tlogG= -0.012417 logG= -0.031524 Density= 0.278810 ETOT(band)= 0.006795 trlgG= -0.030474 logG= -0.031524 TDE= -0.266662 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019101 tlogG= -0.011705 logG= -0.030806 Density= 0.276413 ETOT(band)= 0.004274 trlgG= -0.032471 logG= -0.030806 TDE= -0.267074 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.009657 tlogG= -0.005494 logG= -0.015151 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.133134 ETOT(band)= -0.003456 trlgG= -0.021444 logG= -0.015151 TDE= -0.134127 logGD-logG0= -0.019540 tlogG= -0.011979 logG= -0.031519 Density= 0.280305 ETOT(band)= 0.004905 trlgG= -0.032874 logG= -0.031519 TDE= -0.270502 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019371 tlogG= -0.010244 logG= -0.029615 Density= 0.264646 ETOT(band)= -0.007322 trlgG= -0.042610 logG= -0.029615 TDE= -0.267106 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009735 tlogG= -0.004901 logG= -0.014636 logGD-logG0= -0.019396 tlogG= -0.010525 logG= -0.029921 Density= 0.131270 ETOT(band)= -0.004704 trlgG= -0.022137 logG= -0.014636 TDE= -0.133546 Density= 0.278279 ETOT(band)= 0.005247 trlgG= -0.030700 logG= -0.029921 TDE= -0.267980 logGD-logG0= -0.019322 tlogG= -0.011753 logG= -0.031074 Density= 0.269941 ETOT(band)= -0.004296 trlgG= -0.041290 logG= -0.031074 TDE= -0.269411 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009723 tlogG= -0.005231 logG= -0.014954 Density= 0.140023 ETOT(band)= 0.003209 trlgG= -0.014815 logG= -0.014954 TDE= -0.134311 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019328 tlogG= -0.010603 logG= -0.029930 Density= 0.275102 ETOT(band)= 0.003060 trlgG= -0.032782 logG= -0.029930 TDE= -0.267003 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019476 tlogG= -0.011210 logG= -0.030686 logGD-logG0= -0.019370 tlogG= -0.010673 logG= -0.030043 Density= 0.278300 ETOT(band)= 0.004288 trlgG= -0.032475 logG= -0.030686 TDE= -0.269011 Density= 0.272276 ETOT(band)= -0.001399 trlgG= -0.037250 logG= -0.030043 TDE= -0.268645 logGD-logG0= -0.019415 tlogG= -0.010158 logG= -0.029573 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.267474 ETOT(band)= -0.005378 trlgG= -0.040666 logG= -0.029573 TDE= -0.267920 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009876 tlogG= -0.006011 logG= -0.015887 Density= 0.144242 ETOT(band)= 0.006875 trlgG= -0.012158 logG= -0.015887 TDE= -0.134771 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009662 tlogG= -0.005171 logG= -0.014833 Density= 0.136333 ETOT(band)= -0.000322 trlgG= -0.017915 logG= -0.014833 TDE= -0.133989 logGD-logG0= -0.009681 tlogG= -0.005307 logG= -0.014988 Density= 0.136851 ETOT(band)= 0.000070 trlgG= -0.017774 logG= -0.014988 TDE= -0.134189 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004839 tlogG= -0.002670 logG= -0.007509 Density= 0.068582 ETOT(band)= 0.000130 trlgG= -0.008854 logG= -0.007509 TDE= -0.067197 logGD-logG0= -0.009670 tlogG= -0.005526 logG= -0.015195 Density= 0.135771 ETOT(band)= -0.001170 trlgG= -0.019167 logG= -0.015195 TDE= -0.134338 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009413 tlogG= -0.008849 logG= -0.018263 logGD-logG0= -0.002458 tlogG= -0.001877 logG= -0.004335 Density= 0.037010 ETOT(band)= 0.002712 trlgG= -0.002436 logG= -0.004335 TDE= -0.033638 Density= 0.139422 ETOT(band)= 0.003895 trlgG= -0.016884 logG= -0.018263 TDE= -0.132494 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002355 tlogG= -0.002353 logG= -0.004708 Density= 0.034878 ETOT(band)= 0.000990 trlgG= -0.004378 logG= -0.004708 TDE= -0.033159 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009512 tlogG= -0.007440 logG= -0.016951 logGD-logG0= -0.009465 tlogG= -0.007785 logG= -0.017250 Density= 0.138549 ETOT(band)= 0.003068 trlgG= -0.016637 logG= -0.017250 TDE= -0.132420 Density= 0.137515 ETOT(band)= 0.001785 trlgG= -0.017768 logG= -0.016951 TDE= -0.132858 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009531 tlogG= -0.007360 logG= -0.016891 logGD-logG0= -0.009478 tlogG= -0.008466 logG= -0.017944 Density= 0.140886 ETOT(band)= 0.005283 trlgG= -0.015318 logG= -0.017944 TDE= -0.132652 Density= 0.141014 ETOT(band)= 0.005477 trlgG= -0.014156 logG= -0.016891 TDE= -0.132666 logGD-logG0= -0.009768 tlogG= -0.007214 logG= -0.016982 Density= 0.145044 ETOT(band)= 0.008773 trlgG= -0.011115 logG= -0.016982 TDE= -0.133403 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002403 tlogG= -0.001978 logG= -0.004382 Density= 0.035826 ETOT(band)= 0.001843 trlgG= -0.003224 logG= -0.004382 TDE= -0.033243 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009446 tlogG= -0.008013 logG= -0.017459 Density= 0.138820 ETOT(band)= 0.003453 trlgG= -0.016513 logG= -0.017459 TDE= -0.132348 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004724 tlogG= -0.004038 logG= -0.008762 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.069941 ETOT(band)= 0.002254 trlgG= -0.007792 logG= -0.008762 TDE= -0.066187 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009683 tlogG= -0.005359 logG= -0.015042 Density= 0.134111 ETOT(band)= -0.001348 trlgG= -0.019264 logG= -0.015042 TDE= -0.132995 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009570 tlogG= -0.006386 logG= -0.015957 logGD-logG0= -0.009520 tlogG= -0.006920 logG= -0.016440 Density= 0.137366 ETOT(band)= 0.001830 trlgG= -0.017020 logG= -0.015957 TDE= -0.132961 Density= 0.139336 ETOT(band)= 0.004120 trlgG= -0.014972 logG= -0.016440 TDE= -0.132321 logGD-logG0= -0.004818 tlogG= -0.002841 logG= -0.007659 Density= 0.068512 ETOT(band)= 0.001000 trlgG= -0.008081 logG= -0.007659 TDE= -0.066207 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018936 tlogG= -0.015829 logG= -0.034765 Density= 0.280419 ETOT(band)= 0.009529 trlgG= -0.030399 logG= -0.034765 TDE= -0.264891 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019282 tlogG= -0.013302 logG= -0.032583 Density= 0.284814 ETOT(band)= 0.013251 trlgG= -0.025185 logG= -0.032583 TDE= -0.266078 logGD-logG0= -0.009412 tlogG= -0.009079 logG= -0.018491 Density= 0.139617 ETOT(band)= 0.004086 trlgG= -0.016990 logG= -0.018491 TDE= -0.132558 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009720 tlogG= -0.005038 logG= -0.014758 Density= 0.131000 ETOT(band)= -0.004253 trlgG= -0.021793 logG= -0.014758 TDE= -0.132821 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009576 tlogG= -0.007562 logG= -0.017138 Density= 0.142542 ETOT(band)= 0.006815 trlgG= -0.013068 logG= -0.017138 TDE= -0.132798 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009883 tlogG= -0.006756 logG= -0.016638 Density= 0.145985 ETOT(band)= 0.009294 trlgG= -0.010566 logG= -0.016638 TDE= -0.134102 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019050 tlogG= -0.014041 logG= -0.033090 Density= 0.277497 ETOT(band)= 0.006601 trlgG= -0.031702 logG= -0.033090 TDE= -0.265062 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009747 tlogG= -0.005727 logG= -0.015474 Density= 0.141585 ETOT(band)= 0.005738 trlgG= -0.012832 logG= -0.015474 TDE= -0.133307 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019221 tlogG= -0.011764 logG= -0.030984 Density= 0.276972 ETOT(band)= 0.006337 trlgG= -0.030443 logG= -0.030984 TDE= -0.265405 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009556 tlogG= -0.006701 logG= -0.016256 Density= 0.140831 ETOT(band)= 0.005543 trlgG= -0.013563 logG= -0.016256 TDE= -0.132531 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003138 tlogG= 0.069470 logG= 0.066332 Density= 0.046201 ETOT(band)= 0.001020 trlgG= 0.066507 logG= 0.066332 TDE= -0.044186 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003158 tlogG= 0.069868 logG= 0.066711 Density= 0.046274 ETOT(band)= 0.001122 trlgG= 0.067003 logG= 0.066711 TDE= -0.044139 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002346 tlogG= 0.051909 logG= 0.049562 Density= 0.034445 ETOT(band)= 0.000569 trlgG= 0.049486 logG= 0.049562 TDE= -0.033150 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003128 tlogG= 0.069185 logG= 0.066058 Density= 0.045841 ETOT(band)= 0.000690 trlgG= 0.065879 logG= 0.066058 TDE= -0.044196 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009409 tlogG= 0.208429 logG= 0.199020 Density= 0.138570 ETOT(band)= 0.003088 trlgG= 0.199491 logG= 0.199020 TDE= -0.132583 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004696 tlogG= 0.104031 logG= 0.099335 Density= 0.069138 ETOT(band)= 0.001375 trlgG= 0.099429 logG= 0.099335 TDE= -0.066293 logGD-logG0= -0.009446 tlogG= 0.209129 logG= 0.199683 Density= 0.139085 ETOT(band)= 0.003627 trlgG= 0.200727 logG= 0.199683 TDE= -0.132505 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.86127700444327 eV TrLogG= -13.8568123087237 eV Ratio to renormalize= 0.999999999725 rho-rho_expected= 0.000000004405 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 97) Finished k-point number 98 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 96) Finished k-point number 97 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 20 99) Finished k-point number 100 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 64) Finished k-point number 65 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 58) Finished k-point number 59 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 76) Finished k-point number 77 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 95) Finished k-point number 96 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930891230443108 0.927505055233046 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 3) Finished k-point number 4 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 8) Finished k-point number 9 1 with #bands= 26 53) Finished k-point number 54 1 with #bands= 18 9) Finished k-point number 10 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 18) Finished k-point number 19 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 19) Finished k-point number 20 1 with #bands= 26 35) Finished k-point number 36 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 20) Finished k-point number 21 1 with #bands= 26 80) Finished k-point number 81 1 with #bands= 20 34) Finished k-point number 35 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0640936001766 Density= 15.9982598250503 16.0000000000000 EF 13.3362074322902 Density= 16.5011586847985 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98019325 0.96019325 0.501159 -0.174017E-02 1 0.97019325 0.96019327 0.257900 -0.174018E-02 2 0.96519326 0.96019350 0.130681 -0.174018E-02 3 0.96269338 0.96019363 0.652663E-01 -0.174017E-02 4 0.96144350 0.96019333 0.319899E-01 -0.174017E-02 5 0.96081842 0.96019324 0.151845E-01 -0.174017E-02 6 0.96050583 0.96019328 0.673697E-02 -0.174018E-02 7 0.96034955 0.96019350 0.250258E-02 -0.174017E-02 8 0.96027153 0.96019363 0.385466E-03 -0.174017E-02 9 0.96025738 0.96019363 0.134950E-05 -0.174017E-02 10 0.96025733 0.96019363 0.142587E-08 -0.174017E-02 11 0.96025733 0.96025733 -0.128908E-08 0.142587E-08 12 0.96025733 0.96025733 0.142587E-08 -0.128908E-08 13 0.96025733 0.96025733 0.142587E-08 -0.128908E-08 Absolute convergence of the X interval. Difference in EF= 0.0008717498 EF set to : 13.0649653500 new EF (no-mixing): 13.0649653500 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001220 tlogG= -0.001251 logG= -0.002471 Density= 0.018956 ETOT(band)= 0.001241 trlgG= -0.001646 logG= -0.002471 TDE= -0.017379 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009735 tlogG= -0.009545 logG= -0.019280 Density= 0.151545 ETOT(band)= 0.010179 trlgG= -0.012437 logG= -0.019280 TDE= -0.138679 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002432 tlogG= -0.002407 logG= -0.004839 Density= 0.037861 ETOT(band)= 0.002575 trlgG= -0.003102 logG= -0.004839 TDE= -0.034619 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004863 tlogG= -0.004625 logG= -0.009488 Density= 0.075746 ETOT(band)= 0.005169 trlgG= -0.005988 logG= -0.009488 TDE= -0.069236 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002437 tlogG= -0.002084 logG= -0.004520 Density= 0.037414 ETOT(band)= 0.002611 trlgG= -0.002791 logG= -0.004520 TDE= -0.034197 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001591 tlogG= -0.001322 logG= -0.002913 Density= 0.022764 ETOT(band)= -0.000142 trlgG= -0.003515 logG= -0.002913 TDE= -0.022460 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009781 tlogG= -0.006708 logG= -0.016489 Density= 0.144116 ETOT(band)= 0.005453 trlgG= -0.014322 logG= -0.016489 TDE= -0.136222 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009762 tlogG= -0.008080 logG= -0.017842 Density= 0.150423 ETOT(band)= 0.010573 trlgG= -0.010719 logG= -0.017842 TDE= -0.137321 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009766 tlogG= -0.008686 logG= -0.018452 logGD-logG0= -0.004884 tlogG= -0.004203 logG= -0.009087 Density= 0.075404 ETOT(band)= 0.005200 trlgG= -0.005619 logG= -0.009087 TDE= -0.068939 Density= 0.150613 ETOT(band)= 0.010644 trlgG= -0.011276 logG= -0.018452 TDE= -0.137451 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009777 tlogG= -0.008819 logG= -0.018596 Density= 0.151061 ETOT(band)= 0.010636 trlgG= -0.011387 logG= -0.018596 TDE= -0.137848 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019523 tlogG= -0.015936 logG= -0.035459 Density= 0.300984 ETOT(band)= 0.021054 trlgG= -0.021308 logG= -0.035459 TDE= -0.274871 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009736 tlogG= -0.007822 logG= -0.017558 Density= 0.149828 ETOT(band)= 0.011029 trlgG= -0.009944 logG= -0.017558 TDE= -0.136259 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019499 tlogG= -0.014821 logG= -0.034320 Density= 0.299121 ETOT(band)= 0.021268 trlgG= -0.019760 logG= -0.034320 TDE= -0.272673 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004862 tlogG= -0.003578 logG= -0.008440 logGD-logG0= -0.009774 tlogG= -0.006661 logG= -0.016436 Density= 0.147392 ETOT(band)= 0.008783 trlgG= -0.011003 logG= -0.016436 TDE= -0.136103 Density= 0.074756 ETOT(band)= 0.005089 trlgG= -0.005006 logG= -0.008440 TDE= -0.068350 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003176 tlogG= -0.002539 logG= -0.005714 Density= 0.045349 ETOT(band)= -0.000289 trlgG= -0.006961 logG= -0.005714 TDE= -0.044793 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003129 tlogG= -0.002614 logG= -0.005742 Density= 0.045863 ETOT(band)= 0.000637 trlgG= -0.005909 logG= -0.005742 TDE= -0.044208 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009538 tlogG= -0.007487 logG= -0.017025 Density= 0.136669 ETOT(band)= -0.000534 trlgG= -0.020466 logG= -0.017025 TDE= -0.134679 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003157 tlogG= -0.002564 logG= -0.005721 Density= 0.045586 ETOT(band)= 0.000124 trlgG= -0.006480 logG= -0.005721 TDE= -0.044533 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009530 tlogG= -0.007401 logG= -0.016932 Density= 0.136536 ETOT(band)= -0.000482 trlgG= -0.020336 logG= -0.016932 TDE= -0.134514 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009515 tlogG= -0.007327 logG= -0.016843 Density= 0.136583 ETOT(band)= -0.000089 trlgG= -0.019822 logG= -0.016843 TDE= -0.134134 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009458 tlogG= -0.007394 logG= -0.016851 Density= 0.137264 ETOT(band)= 0.001228 trlgG= -0.018266 logG= -0.016851 TDE= -0.133224 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009547 tlogG= -0.006691 logG= -0.016238 Density= 0.137825 ETOT(band)= 0.000883 trlgG= -0.018381 logG= -0.016238 TDE= -0.134491 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009779 tlogG= -0.007586 logG= -0.017364 Density= 0.148966 ETOT(band)= 0.010995 trlgG= -0.009769 logG= -0.017364 TDE= -0.135450 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009841 tlogG= -0.007172 logG= -0.017013 Density= 0.147721 ETOT(band)= 0.009477 trlgG= -0.010918 logG= -0.017013 TDE= -0.135755 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009519 tlogG= -0.006557 logG= -0.016076 Density= 0.137586 ETOT(band)= 0.001140 trlgG= -0.017904 logG= -0.016076 TDE= -0.133946 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009815 tlogG= -0.006542 logG= -0.016357 Density= 0.142635 ETOT(band)= 0.004674 trlgG= -0.014846 logG= -0.016357 TDE= -0.135456 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009542 tlogG= -0.006873 logG= -0.016414 logGD-logG0= -0.004820 tlogG= -0.003115 logG= -0.007935 Density= 0.067530 ETOT(band)= -0.001183 trlgG= -0.010588 logG= -0.007935 TDE= -0.067499 Density= 0.138408 ETOT(band)= 0.001841 trlgG= -0.017381 logG= -0.016414 TDE= -0.133873 logGD-logG0= -0.009603 tlogG= -0.005973 logG= -0.015576 Density= 0.137998 ETOT(band)= 0.001170 trlgG= -0.017427 logG= -0.015576 TDE= -0.134364 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009540 tlogG= -0.006887 logG= -0.016426 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137429 ETOT(band)= 0.000421 trlgG= -0.019045 logG= -0.016426 TDE= -0.134586 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009620 tlogG= -0.006172 logG= -0.015792 Density= 0.138584 ETOT(band)= 0.001724 trlgG= -0.017013 logG= -0.015792 TDE= -0.134298 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009555 tlogG= -0.006656 logG= -0.016211 Density= 0.137768 ETOT(band)= 0.000906 trlgG= -0.018365 logG= -0.016211 TDE= -0.134447 logGD-logG0= -0.009583 tlogG= -0.005651 logG= -0.015235 logGD-logG0= -0.019683 tlogG= -0.012835 logG= -0.032518 Density= 0.136832 ETOT(band)= 0.000539 trlgG= -0.017713 logG= -0.015235 TDE= -0.133872 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.285542 ETOT(band)= 0.009104 trlgG= -0.029851 logG= -0.032518 TDE= -0.271526 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009494 tlogG= -0.007361 logG= -0.016854 logGD-logG0= -0.009714 tlogG= -0.006605 logG= -0.016319 Density= 0.136818 ETOT(band)= 0.000322 trlgG= -0.019336 logG= -0.016854 TDE= -0.133862 Density= 0.143616 ETOT(band)= 0.007113 trlgG= -0.012202 logG= -0.016319 TDE= -0.133792 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009648 tlogG= -0.006051 logG= -0.015699 Density= 0.135726 ETOT(band)= -0.001366 trlgG= -0.020018 logG= -0.015699 TDE= -0.134651 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019069 tlogG= -0.013775 logG= -0.032844 Density= 0.275028 ETOT(band)= 0.001471 trlgG= -0.037321 logG= -0.032844 TDE= -0.268574 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009860 tlogG= -0.006554 logG= -0.016414 Density= 0.143351 ETOT(band)= 0.004845 trlgG= -0.014839 logG= -0.016414 TDE= -0.136079 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019176 tlogG= -0.012028 logG= -0.031204 Density= 0.277828 ETOT(band)= 0.004383 trlgG= -0.032958 logG= -0.031204 TDE= -0.268540 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000390 tlogG= 0.008633 logG= 0.008242 Density= 0.005715 ETOT(band)= 0.000071 trlgG= 0.008206 logG= 0.008242 TDE= -0.005525 logGD-logG0= -0.019197 tlogG= -0.012176 logG= -0.031373 Density= 0.278166 ETOT(band)= 0.004423 trlgG= -0.033132 logG= -0.031373 TDE= -0.268870 logGD-logG0= -0.019436 tlogG= -0.012126 logG= -0.031563 logGD-logG0= -0.019303 tlogG= -0.011525 logG= -0.030828 Density= 0.275224 ETOT(band)= 0.001501 trlgG= -0.035269 logG= -0.030828 TDE= -0.268726 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 Density= 0.281482 ETOT(band)= 0.007364 trlgG= -0.030363 logG= -0.031563 TDE= -0.269096 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019176 tlogG= -0.012330 logG= -0.031506 Density= 0.277956 ETOT(band)= 0.004804 trlgG= -0.032678 logG= -0.031506 TDE= -0.268082 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019282 tlogG= -0.010913 logG= -0.030195 Density= 0.271383 ETOT(band)= -0.001666 trlgG= -0.037830 logG= -0.030195 TDE= -0.268232 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009655 tlogG= -0.005490 logG= -0.015146 Density= 0.133122 ETOT(band)= -0.003462 trlgG= -0.021443 logG= -0.015146 TDE= -0.134129 logGD-logG0= -0.019320 tlogG= -0.011746 logG= -0.031066 Density= 0.269928 ETOT(band)= -0.004294 trlgG= -0.041279 logG= -0.031066 TDE= -0.269414 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018997 tlogG= -0.013819 logG= -0.032816 Density= 0.275692 ETOT(band)= 0.003300 trlgG= -0.035068 logG= -0.032816 TDE= -0.266987 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019720 tlogG= -0.012824 logG= -0.032544 logGD-logG0= -0.019369 tlogG= -0.010241 logG= -0.029610 Density= 0.264635 ETOT(band)= -0.007319 trlgG= -0.042602 logG= -0.029610 TDE= -0.267110 Density= 0.290012 ETOT(band)= 0.015733 trlgG= -0.023119 logG= -0.032544 TDE= -0.269061 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019104 tlogG= -0.011703 logG= -0.030807 Density= 0.276424 ETOT(band)= 0.004304 trlgG= -0.032447 logG= -0.030807 TDE= -0.267078 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019107 tlogG= -0.012416 logG= -0.031524 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278811 ETOT(band)= 0.006810 trlgG= -0.030459 logG= -0.031524 TDE= -0.266666 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009735 tlogG= -0.004900 logG= -0.014634 Density= 0.131280 ETOT(band)= -0.004687 trlgG= -0.022119 logG= -0.014634 TDE= -0.133548 logGD-logG0= -0.019396 tlogG= -0.010529 logG= -0.029925 Density= 0.278301 ETOT(band)= 0.005284 trlgG= -0.030669 logG= -0.029925 TDE= -0.267984 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009644 tlogG= -0.006392 logG= -0.016035 Density= 0.140264 ETOT(band)= 0.003576 trlgG= -0.015362 logG= -0.016035 TDE= -0.134016 logGD-logG0= -0.009488 tlogG= -0.006851 logG= -0.016339 Density= 0.138978 ETOT(band)= 0.003132 trlgG= -0.015881 logG= -0.016339 TDE= -0.132996 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009724 tlogG= -0.005233 logG= -0.014956 Density= 0.140033 ETOT(band)= 0.003226 trlgG= -0.014801 logG= -0.014956 TDE= -0.134313 logGD-logG0= -0.009876 tlogG= -0.006011 logG= -0.015888 logGD-logG0= -0.019541 tlogG= -0.011979 logG= -0.031520 Density= 0.144246 ETOT(band)= 0.006886 trlgG= -0.012147 logG= -0.015888 TDE= -0.134773 Density= 0.280317 ETOT(band)= 0.004931 trlgG= -0.032850 logG= -0.031520 TDE= -0.270507 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019478 tlogG= -0.011213 logG= -0.030691 Density= 0.278318 ETOT(band)= 0.004322 trlgG= -0.032448 logG= -0.030691 TDE= -0.269015 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019330 tlogG= -0.010597 logG= -0.029927 Density= 0.275090 ETOT(band)= 0.003064 trlgG= -0.032777 logG= -0.029927 TDE= -0.267007 logGD-logG0= -0.019370 tlogG= -0.010674 logG= -0.030044 Density= 0.272280 ETOT(band)= -0.001380 trlgG= -0.037233 logG= -0.030044 TDE= -0.268648 logGD-logG0= -0.019417 tlogG= -0.010153 logG= -0.029570 Density= 0.267461 ETOT(band)= -0.005374 trlgG= -0.040662 logG= -0.029570 TDE= -0.267924 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009662 tlogG= -0.005171 logG= -0.014834 Density= 0.136334 ETOT(band)= -0.000313 trlgG= -0.017908 logG= -0.014834 TDE= -0.133990 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004831 tlogG= -0.002592 logG= -0.007423 Density= 0.065507 ETOT(band)= -0.002441 trlgG= -0.011193 logG= -0.007423 TDE= -0.066675 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009629 tlogG= -0.005662 logG= -0.015291 Density= 0.133756 ETOT(band)= -0.002874 trlgG= -0.021060 logG= -0.015291 TDE= -0.134209 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002458 tlogG= -0.001877 logG= -0.004335 Density= 0.037009 ETOT(band)= 0.002714 trlgG= -0.002435 logG= -0.004335 TDE= -0.033638 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009413 tlogG= -0.008850 logG= -0.018263 logGD-logG0= -0.002355 tlogG= -0.002353 logG= -0.004708 Density= 0.034877 ETOT(band)= 0.000991 trlgG= -0.004377 logG= -0.004708 TDE= -0.033160 Density= 0.139422 ETOT(band)= 0.003902 trlgG= -0.016878 logG= -0.018263 TDE= -0.132496 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004839 tlogG= -0.002670 logG= -0.007509 Density= 0.068582 ETOT(band)= 0.000134 trlgG= -0.008850 logG= -0.007509 TDE= -0.067198 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009512 tlogG= -0.007438 logG= -0.016950 Density= 0.137513 ETOT(band)= 0.001792 trlgG= -0.017761 logG= -0.016950 TDE= -0.132859 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009465 tlogG= -0.007785 logG= -0.017249 Density= 0.138547 ETOT(band)= 0.003075 trlgG= -0.016630 logG= -0.017249 TDE= -0.132422 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009531 tlogG= -0.007361 logG= -0.016891 Density= 0.141015 ETOT(band)= 0.005485 trlgG= -0.014148 logG= -0.016891 TDE= -0.132668 logGD-logG0= -0.002403 tlogG= -0.001978 logG= -0.004382 Density= 0.035827 ETOT(band)= 0.001845 trlgG= -0.003222 logG= -0.004382 TDE= -0.033243 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009446 tlogG= -0.008013 logG= -0.017459 Density= 0.138818 ETOT(band)= 0.003459 trlgG= -0.016508 logG= -0.017459 TDE= -0.132349 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018937 tlogG= -0.015829 logG= -0.034766 Density= 0.280419 ETOT(band)= 0.009546 trlgG= -0.030385 logG= -0.034766 TDE= -0.264894 logGD-logG0= -0.009478 tlogG= -0.008466 logG= -0.017944 Density= 0.140886 ETOT(band)= 0.005291 trlgG= -0.015310 logG= -0.017944 TDE= -0.132654 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009684 tlogG= -0.005359 logG= -0.015043 Density= 0.134115 ETOT(band)= -0.001336 trlgG= -0.019255 logG= -0.015043 TDE= -0.132996 logGD-logG0= -0.009570 tlogG= -0.006387 logG= -0.015957 Density= 0.137365 ETOT(band)= 0.001837 trlgG= -0.017014 logG= -0.015957 TDE= -0.132963 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004818 tlogG= -0.002841 logG= -0.007658 Density= 0.068510 ETOT(band)= 0.001001 trlgG= -0.008079 logG= -0.007658 TDE= -0.066208 logGD-logG0= -0.009412 tlogG= -0.009080 logG= -0.018491 Density= 0.139617 ETOT(band)= 0.004094 trlgG= -0.016983 logG= -0.018491 TDE= -0.132560 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009721 tlogG= -0.005038 logG= -0.014759 logGD-logG0= -0.019049 tlogG= -0.014045 logG= -0.033094 Density= 0.131011 ETOT(band)= -0.004234 trlgG= -0.021778 logG= -0.014759 TDE= -0.132823 Density= 0.277494 ETOT(band)= 0.006613 trlgG= -0.031694 logG= -0.033094 TDE= -0.265065 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009576 tlogG= -0.007562 logG= -0.017138 Density= 0.142543 ETOT(band)= 0.006825 trlgG= -0.013059 logG= -0.017138 TDE= -0.132799 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019282 tlogG= -0.013303 logG= -0.032585 logGD-logG0= -0.009883 tlogG= -0.006756 logG= -0.016639 Density= 0.284819 ETOT(band)= 0.013271 trlgG= -0.025169 logG= -0.032585 TDE= -0.266083 Density= 0.145986 ETOT(band)= 0.009302 trlgG= -0.010559 logG= -0.016639 TDE= -0.134104 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009671 tlogG= -0.005527 logG= -0.015198 Density= 0.135770 ETOT(band)= -0.001162 trlgG= -0.019164 logG= -0.015198 TDE= -0.134340 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009747 tlogG= -0.005727 logG= -0.015474 Density= 0.141592 ETOT(band)= 0.005752 trlgG= -0.012820 logG= -0.015474 TDE= -0.133310 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009556 tlogG= -0.006702 logG= -0.016258 Density= 0.140832 ETOT(band)= 0.005552 trlgG= -0.013556 logG= -0.016258 TDE= -0.132533 logGD-logG0= -0.019218 tlogG= -0.011761 logG= -0.030980 Density= 0.276967 ETOT(band)= 0.006346 trlgG= -0.030429 logG= -0.030980 TDE= -0.265409 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004724 tlogG= -0.004038 logG= -0.008761 Density= 0.069941 ETOT(band)= 0.002257 trlgG= -0.007788 logG= -0.008761 TDE= -0.066188 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009520 tlogG= -0.006921 logG= -0.016440 Density= 0.139334 ETOT(band)= 0.004125 trlgG= -0.014967 logG= -0.016440 TDE= -0.132323 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009768 tlogG= -0.007214 logG= -0.016983 Density= 0.145046 ETOT(band)= 0.008783 trlgG= -0.011106 logG= -0.016983 TDE= -0.133405 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003158 tlogG= 0.069873 logG= 0.066715 Density= 0.046273 ETOT(band)= 0.001125 trlgG= 0.067010 logG= 0.066715 TDE= -0.044140 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003128 tlogG= 0.069190 logG= 0.066063 Density= 0.045841 ETOT(band)= 0.000692 trlgG= 0.065886 logG= 0.066063 TDE= -0.044196 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002346 tlogG= 0.051912 logG= 0.049566 Density= 0.034445 ETOT(band)= 0.000570 trlgG= 0.049491 logG= 0.049566 TDE= -0.033151 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009409 tlogG= 0.208443 logG= 0.199035 Density= 0.138568 ETOT(band)= 0.003094 trlgG= 0.199511 logG= 0.199035 TDE= -0.132584 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009446 tlogG= 0.209144 logG= 0.199698 Density= 0.139084 ETOT(band)= 0.003634 trlgG= 0.200748 logG= 0.199698 TDE= -0.132507 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003138 tlogG= 0.069475 logG= 0.066337 Density= 0.046200 ETOT(band)= 0.001022 trlgG= 0.066514 logG= 0.066337 TDE= -0.044187 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009681 tlogG= -0.005307 logG= -0.014988 Density= 0.136853 ETOT(band)= 0.000080 trlgG= -0.017765 logG= -0.014988 TDE= -0.134191 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004696 tlogG= 0.104040 logG= 0.099344 Density= 0.069137 ETOT(band)= 0.001378 trlgG= 0.099440 logG= 0.099344 TDE= -0.066294 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.87340000605859 eV TrLogG= -13.8454212848407 eV Ratio to renormalize= 0.999999999636 rho-rho_expected= 0.000000005819 nargs= 1 argi=dmft2.def 13) Finished k-point number 14 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 33) Finished k-point number 34 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 38) Finished k-point number 39 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 56) Finished k-point number 57 1 with #bands= 18 59) Finished k-point number 60 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 96) Finished k-point number 97 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 20 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 89) Finished k-point number 90 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 77) Finished k-point number 78 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930972459591427 0.927471343480544 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 16) Finished k-point number 17 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 47) Finished k-point number 48 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0649653499919 Density= 16.0022337724255 16.0000000000000 EF 12.7928515178784 Density= 15.3812266206102 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96025733 0.94025733 0.223377E-02 -0.618773 1 0.96018539 0.94025733 0.282539E-03 -0.618773 2 0.96017497 0.96018539 -0.552347E-08 0.282539E-03 3 0.96017498 0.96017497 0.337508E-12 -0.552347E-08 Absolute convergence of |F(X)|. Difference in EF= -0.0011204603 EF set to : 13.0638448897 new EF (no-mixing): 13.0638448897 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001220 tlogG= -0.001251 logG= -0.002470 Density= 0.018957 ETOT(band)= 0.001240 trlgG= -0.001646 logG= -0.002470 TDE= -0.017378 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009735 tlogG= -0.009545 logG= -0.019279 Density= 0.151552 ETOT(band)= 0.010175 trlgG= -0.012438 logG= -0.019279 TDE= -0.138676 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002432 tlogG= -0.002407 logG= -0.004839 Density= 0.037863 ETOT(band)= 0.002574 trlgG= -0.003102 logG= -0.004839 TDE= -0.034618 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004863 tlogG= -0.004625 logG= -0.009488 Density= 0.075749 ETOT(band)= 0.005167 trlgG= -0.005989 logG= -0.009488 TDE= -0.069234 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002437 tlogG= -0.002083 logG= -0.004520 Density= 0.037416 ETOT(band)= 0.002610 trlgG= -0.002791 logG= -0.004520 TDE= -0.034196 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001591 tlogG= -0.001322 logG= -0.002913 Density= 0.022765 ETOT(band)= -0.000144 trlgG= -0.003515 logG= -0.002913 TDE= -0.022460 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004883 tlogG= -0.004203 logG= -0.009086 Density= 0.075407 ETOT(band)= 0.005199 trlgG= -0.005619 logG= -0.009086 TDE= -0.068937 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009762 tlogG= -0.008080 logG= -0.017841 Density= 0.150429 ETOT(band)= 0.010569 trlgG= -0.010721 logG= -0.017841 TDE= -0.137318 logGD-logG0= -0.009781 tlogG= -0.006707 logG= -0.016487 Density= 0.144111 ETOT(band)= 0.005438 trlgG= -0.014335 logG= -0.016487 TDE= -0.136219 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009766 tlogG= -0.008686 logG= -0.018451 Density= 0.150621 ETOT(band)= 0.010641 trlgG= -0.011277 logG= -0.018451 TDE= -0.137448 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019522 tlogG= -0.015935 logG= -0.035456 Density= 0.300998 ETOT(band)= 0.021046 trlgG= -0.021311 logG= -0.035456 TDE= -0.274865 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009776 tlogG= -0.008818 logG= -0.018594 Density= 0.151068 ETOT(band)= 0.010632 trlgG= -0.011388 logG= -0.018594 TDE= -0.137845 logGD-logG0= -0.009736 tlogG= -0.007821 logG= -0.017557 Density= 0.149835 ETOT(band)= 0.011025 trlgG= -0.009946 logG= -0.017557 TDE= -0.136256 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019499 tlogG= -0.014819 logG= -0.034317 Density= 0.299132 ETOT(band)= 0.021258 trlgG= -0.019765 logG= -0.034317 TDE= -0.272667 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004862 tlogG= -0.003578 logG= -0.008440 Density= 0.074758 ETOT(band)= 0.005086 trlgG= -0.005008 logG= -0.008440 TDE= -0.068348 logGD-logG0= -0.009774 tlogG= -0.006660 logG= -0.016434 Density= 0.147395 ETOT(band)= 0.008775 trlgG= -0.011009 logG= -0.016434 TDE= -0.136100 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003128 tlogG= -0.002613 logG= -0.005742 Density= 0.045864 ETOT(band)= 0.000635 trlgG= -0.005912 logG= -0.005742 TDE= -0.044207 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003175 tlogG= -0.002539 logG= -0.005714 Density= 0.045350 ETOT(band)= -0.000291 trlgG= -0.006962 logG= -0.005714 TDE= -0.044792 logGD-logG0= -0.009530 tlogG= -0.007402 logG= -0.016932 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136542 ETOT(band)= -0.000487 trlgG= -0.020341 logG= -0.016932 TDE= -0.134513 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003157 tlogG= -0.002564 logG= -0.005721 Density= 0.045587 ETOT(band)= 0.000122 trlgG= -0.006482 logG= -0.005721 TDE= -0.044533 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009539 tlogG= -0.007489 logG= -0.017028 Density= 0.136673 ETOT(band)= -0.000540 trlgG= -0.020475 logG= -0.017028 TDE= -0.134677 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009515 tlogG= -0.007330 logG= -0.016846 Density= 0.136588 ETOT(band)= -0.000096 trlgG= -0.019830 logG= -0.016846 TDE= -0.134133 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009458 tlogG= -0.007395 logG= -0.016854 Density= 0.137268 ETOT(band)= 0.001220 trlgG= -0.018275 logG= -0.016854 TDE= -0.133222 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009547 tlogG= -0.006691 logG= -0.016238 Density= 0.137827 ETOT(band)= 0.000875 trlgG= -0.018388 logG= -0.016238 TDE= -0.134489 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009542 tlogG= -0.006874 logG= -0.016416 Density= 0.138409 ETOT(band)= 0.001832 trlgG= -0.017391 logG= -0.016416 TDE= -0.133871 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009814 tlogG= -0.006544 logG= -0.016358 Density= 0.142627 ETOT(band)= 0.004656 trlgG= -0.014864 logG= -0.016358 TDE= -0.135453 logGD-logG0= -0.009779 tlogG= -0.007585 logG= -0.017363 Density= 0.148973 ETOT(band)= 0.010991 trlgG= -0.009770 logG= -0.017363 TDE= -0.135447 logGD-logG0= -0.009840 tlogG= -0.007171 logG= -0.017012 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.147723 ETOT(band)= 0.009468 trlgG= -0.010924 logG= -0.017012 TDE= -0.135752 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009630 tlogG= -0.005665 logG= -0.015295 Density= 0.133765 ETOT(band)= -0.002876 trlgG= -0.021065 logG= -0.015295 TDE= -0.134207 logGD-logG0= -0.009643 tlogG= -0.006389 logG= -0.016033 logGD-logG0= -0.009603 tlogG= -0.005973 logG= -0.015575 Density= 0.140261 ETOT(band)= 0.003563 trlgG= -0.015371 logG= -0.016033 TDE= -0.134014 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137997 ETOT(band)= 0.001159 trlgG= -0.017436 logG= -0.015575 TDE= -0.134362 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009493 tlogG= -0.007360 logG= -0.016853 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136821 ETOT(band)= 0.000315 trlgG= -0.019341 logG= -0.016853 TDE= -0.133861 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009488 tlogG= -0.006850 logG= -0.016339 Density= 0.138979 ETOT(band)= 0.003123 trlgG= -0.015889 logG= -0.016339 TDE= -0.132994 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009555 tlogG= -0.006656 logG= -0.016212 Density= 0.137770 ETOT(band)= 0.000898 trlgG= -0.018373 logG= -0.016212 TDE= -0.134445 logGD-logG0= -0.004820 tlogG= -0.003113 logG= -0.007933 Density= 0.067530 ETOT(band)= -0.001189 trlgG= -0.010591 logG= -0.007933 TDE= -0.067499 logGD-logG0= -0.009519 tlogG= -0.006559 logG= -0.016078 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137590 ETOT(band)= 0.001133 trlgG= -0.017913 logG= -0.016078 TDE= -0.133944 logGD-logG0= -0.004831 tlogG= -0.002592 logG= -0.007423 Density= 0.065504 ETOT(band)= -0.002450 trlgG= -0.011202 logG= -0.007423 TDE= -0.066674 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009539 tlogG= -0.006888 logG= -0.016427 Density= 0.137430 ETOT(band)= 0.000411 trlgG= -0.019054 logG= -0.016427 TDE= -0.134584 logGD-logG0= -0.009619 tlogG= -0.006171 logG= -0.015791 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138584 ETOT(band)= 0.001714 trlgG= -0.017021 logG= -0.015791 TDE= -0.134296 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009713 tlogG= -0.006605 logG= -0.016318 logGD-logG0= -0.009583 tlogG= -0.005651 logG= -0.015233 Density= 0.136833 ETOT(band)= 0.000529 trlgG= -0.017720 logG= -0.015233 TDE= -0.133870 Density= 0.143613 ETOT(band)= 0.007099 trlgG= -0.012215 logG= -0.016318 TDE= -0.133790 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009648 tlogG= -0.006051 logG= -0.015699 Density= 0.135728 ETOT(band)= -0.001374 trlgG= -0.020025 logG= -0.015699 TDE= -0.134649 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019681 tlogG= -0.012834 logG= -0.032515 Density= 0.285517 ETOT(band)= 0.009058 trlgG= -0.029890 logG= -0.032515 TDE= -0.271521 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019436 tlogG= -0.012128 logG= -0.031564 Density= 0.281476 ETOT(band)= 0.007338 trlgG= -0.030389 logG= -0.031564 TDE= -0.269091 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019283 tlogG= -0.010918 logG= -0.030201 Density= 0.271376 ETOT(band)= -0.001692 trlgG= -0.037861 logG= -0.030201 TDE= -0.268228 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009859 tlogG= -0.006554 logG= -0.016413 logGD-logG0= -0.019302 tlogG= -0.011525 logG= -0.030827 Density= 0.143343 ETOT(band)= 0.004826 trlgG= -0.014855 logG= -0.016413 TDE= -0.136076 Density= 0.275217 ETOT(band)= 0.001473 trlgG= -0.035292 logG= -0.030827 TDE= -0.268722 logGD-logG0= -0.019371 tlogG= -0.010245 logG= -0.029616 Density= 0.264643 ETOT(band)= -0.007330 trlgG= -0.042619 logG= -0.029616 TDE= -0.267106 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019195 tlogG= -0.012177 logG= -0.031372 logGD-logG0= -0.019069 tlogG= -0.013775 logG= -0.032844 Density= 0.278163 ETOT(band)= 0.004398 trlgG= -0.033153 logG= -0.031372 TDE= -0.268865 Density= 0.275033 ETOT(band)= 0.001455 trlgG= -0.037335 logG= -0.032844 TDE= -0.268571 logGD-logG0= -0.019395 tlogG= -0.010530 logG= -0.029925 Density= 0.278281 ETOT(band)= 0.005243 trlgG= -0.030707 logG= -0.029925 TDE= -0.267980 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019108 tlogG= -0.012415 logG= -0.031522 logGD-logG0= -0.000390 tlogG= 0.008632 logG= 0.008242 Density= 0.005715 ETOT(band)= 0.000070 trlgG= 0.008205 logG= 0.008242 TDE= -0.005525 Density= 0.278810 ETOT(band)= 0.006789 trlgG= -0.030477 logG= -0.031522 TDE= -0.266661 logGD-logG0= -0.019177 tlogG= -0.012031 logG= -0.031208 Density= 0.277827 ETOT(band)= 0.004362 trlgG= -0.032981 logG= -0.031208 TDE= -0.268536 logGD-logG0= -0.019178 tlogG= -0.012333 logG= -0.031511 Density= 0.277958 ETOT(band)= 0.004786 trlgG= -0.032700 logG= -0.031511 TDE= -0.268078 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018999 tlogG= -0.013824 logG= -0.032823 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.275694 ETOT(band)= 0.003281 trlgG= -0.035091 logG= -0.032823 TDE= -0.266983 logGD-logG0= -0.019323 tlogG= -0.011754 logG= -0.031077 Density= 0.269943 ETOT(band)= -0.004298 trlgG= -0.041296 logG= -0.031077 TDE= -0.269411 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009736 tlogG= -0.004903 logG= -0.014639 Density= 0.131267 ETOT(band)= -0.004708 trlgG= -0.022145 logG= -0.014639 TDE= -0.133546 logGD-logG0= -0.019101 tlogG= -0.011708 logG= -0.030809 Density= 0.276420 ETOT(band)= 0.004276 trlgG= -0.032472 logG= -0.030809 TDE= -0.267074 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009655 tlogG= -0.005492 logG= -0.015147 logGD-logG0= -0.019720 tlogG= -0.012824 logG= -0.032544 Density= 0.133123 ETOT(band)= -0.003472 trlgG= -0.021452 logG= -0.015147 TDE= -0.134127 Density= 0.290020 ETOT(band)= 0.015720 trlgG= -0.023130 logG= -0.032544 TDE= -0.269056 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019476 tlogG= -0.011211 logG= -0.030687 Density= 0.278290 ETOT(band)= 0.004273 trlgG= -0.032490 logG= -0.030687 TDE= -0.269010 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019540 tlogG= -0.011979 logG= -0.031519 Density= 0.280307 ETOT(band)= 0.004901 trlgG= -0.032877 logG= -0.031519 TDE= -0.270502 logGD-logG0= -0.009876 tlogG= -0.006011 logG= -0.015887 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.144242 ETOT(band)= 0.006872 trlgG= -0.012160 logG= -0.015887 TDE= -0.134771 logGD-logG0= -0.019415 tlogG= -0.010154 logG= -0.029570 Density= 0.267455 ETOT(band)= -0.005402 trlgG= -0.040686 logG= -0.029570 TDE= -0.267920 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009723 tlogG= -0.005232 logG= -0.014955 Density= 0.140029 ETOT(band)= 0.003211 trlgG= -0.014814 logG= -0.014955 TDE= -0.134310 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019371 tlogG= -0.010676 logG= -0.030048 Density= 0.272277 ETOT(band)= -0.001403 trlgG= -0.037259 logG= -0.030048 TDE= -0.268644 logGD-logG0= -0.019326 tlogG= -0.010594 logG= -0.029920 Density= 0.275081 ETOT(band)= 0.003032 trlgG= -0.032796 logG= -0.029920 TDE= -0.267003 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009662 tlogG= -0.005170 logG= -0.014832 Density= 0.136333 ETOT(band)= -0.000324 trlgG= -0.017917 logG= -0.014832 TDE= -0.133989 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009681 tlogG= -0.005307 logG= -0.014988 Density= 0.136851 ETOT(band)= 0.000067 trlgG= -0.017776 logG= -0.014988 TDE= -0.134189 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009669 tlogG= -0.005526 logG= -0.015195 Density= 0.135773 ETOT(band)= -0.001171 trlgG= -0.019168 logG= -0.015195 TDE= -0.134338 logGD-logG0= -0.004839 tlogG= -0.002670 logG= -0.007509 Density= 0.068582 ETOT(band)= 0.000130 trlgG= -0.008854 logG= -0.007509 TDE= -0.067196 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002458 tlogG= -0.001877 logG= -0.004335 Density= 0.037010 ETOT(band)= 0.002712 trlgG= -0.002436 logG= -0.004335 TDE= -0.033638 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002355 tlogG= -0.002353 logG= -0.004708 Density= 0.034878 ETOT(band)= 0.000989 trlgG= -0.004379 logG= -0.004708 TDE= -0.033159 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009413 tlogG= -0.008850 logG= -0.018263 Density= 0.139423 ETOT(band)= 0.003893 trlgG= -0.016886 logG= -0.018263 TDE= -0.132494 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009465 tlogG= -0.007786 logG= -0.017251 Density= 0.138549 ETOT(band)= 0.003066 trlgG= -0.016639 logG= -0.017251 TDE= -0.132420 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009512 tlogG= -0.007440 logG= -0.016952 Density= 0.137517 ETOT(band)= 0.001784 trlgG= -0.017769 logG= -0.016952 TDE= -0.132858 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002403 tlogG= -0.001978 logG= -0.004382 Density= 0.035826 ETOT(band)= 0.001842 trlgG= -0.003225 logG= -0.004382 TDE= -0.033243 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009768 tlogG= -0.007214 logG= -0.016982 Density= 0.145043 ETOT(band)= 0.008770 trlgG= -0.011118 logG= -0.016982 TDE= -0.133403 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009530 tlogG= -0.007359 logG= -0.016889 logGD-logG0= -0.009478 tlogG= -0.008465 logG= -0.017943 Density= 0.140887 ETOT(band)= 0.005280 trlgG= -0.015319 logG= -0.017943 TDE= -0.132652 logGD-logG0= -0.009445 tlogG= -0.008012 logG= -0.017457 Density= 0.138820 ETOT(band)= 0.003450 trlgG= -0.016514 logG= -0.017457 TDE= -0.132348 Density= 0.141015 ETOT(band)= 0.005473 trlgG= -0.014156 logG= -0.016889 TDE= -0.132666 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004724 tlogG= -0.004039 logG= -0.008763 Density= 0.069941 ETOT(band)= 0.002252 trlgG= -0.007794 logG= -0.008763 TDE= -0.066187 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009569 tlogG= -0.006387 logG= -0.015957 Density= 0.137367 ETOT(band)= 0.001828 trlgG= -0.017021 logG= -0.015957 TDE= -0.132961 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019281 tlogG= -0.013302 logG= -0.032583 logGD-logG0= -0.009520 tlogG= -0.006920 logG= -0.016440 logGD-logG0= -0.004817 tlogG= -0.002840 logG= -0.007657 Density= 0.068510 ETOT(band)= 0.000996 trlgG= -0.008082 logG= -0.007657 TDE= -0.066207 Density= 0.139336 ETOT(band)= 0.004116 trlgG= -0.014974 logG= -0.016440 TDE= -0.132321 Density= 0.284813 ETOT(band)= 0.013244 trlgG= -0.025190 logG= -0.032583 TDE= -0.266078 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009683 tlogG= -0.005359 logG= -0.015043 Density= 0.134113 ETOT(band)= -0.001349 trlgG= -0.019265 logG= -0.015043 TDE= -0.132994 logGD-logG0= -0.018937 tlogG= -0.015830 logG= -0.034767 Density= 0.280421 ETOT(band)= 0.009526 trlgG= -0.030404 logG= -0.034767 TDE= -0.264890 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009721 tlogG= -0.005039 logG= -0.014760 Density= 0.131003 ETOT(band)= -0.004252 trlgG= -0.021795 logG= -0.014760 TDE= -0.132821 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009412 tlogG= -0.009080 logG= -0.018491 logGD-logG0= -0.009576 tlogG= -0.007562 logG= -0.017137 Density= 0.142542 ETOT(band)= 0.006812 trlgG= -0.013070 logG= -0.017137 TDE= -0.132797 Density= 0.139618 ETOT(band)= 0.004084 trlgG= -0.016991 logG= -0.018491 TDE= -0.132558 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009883 tlogG= -0.006755 logG= -0.016638 Density= 0.145986 ETOT(band)= 0.009292 trlgG= -0.010567 logG= -0.016638 TDE= -0.134101 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019049 tlogG= -0.014044 logG= -0.033093 Density= 0.277498 ETOT(band)= 0.006596 trlgG= -0.031708 logG= -0.033093 TDE= -0.265062 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009555 tlogG= -0.006700 logG= -0.016255 Density= 0.140830 ETOT(band)= 0.005539 trlgG= -0.013565 logG= -0.016255 TDE= -0.132531 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009747 tlogG= -0.005727 logG= -0.015474 Density= 0.141585 ETOT(band)= 0.005735 trlgG= -0.012834 logG= -0.015474 TDE= -0.133307 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019219 tlogG= -0.011762 logG= -0.030981 Density= 0.276971 ETOT(band)= 0.006330 trlgG= -0.030446 logG= -0.030981 TDE= -0.265405 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003128 tlogG= 0.069184 logG= 0.066057 Density= 0.045842 ETOT(band)= 0.000689 trlgG= 0.065877 logG= 0.066057 TDE= -0.044196 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003158 tlogG= 0.069867 logG= 0.066709 Density= 0.046274 ETOT(band)= 0.001122 trlgG= 0.067001 logG= 0.066709 TDE= -0.044139 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003138 tlogG= 0.069469 logG= 0.066331 Density= 0.046201 ETOT(band)= 0.001020 trlgG= 0.066506 logG= 0.066331 TDE= -0.044186 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009409 tlogG= 0.208425 logG= 0.199016 Density= 0.138571 ETOT(band)= 0.003086 trlgG= 0.199486 logG= 0.199016 TDE= -0.132583 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004695 tlogG= 0.104031 logG= 0.099336 Density= 0.069139 ETOT(band)= 0.001373 trlgG= 0.099428 logG= 0.099336 TDE= -0.066293 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009446 tlogG= 0.209124 logG= 0.199678 Density= 0.139086 ETOT(band)= 0.003625 trlgG= 0.200720 logG= 0.199678 TDE= -0.132505 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002346 tlogG= 0.051908 logG= 0.049561 Density= 0.034446 ETOT(band)= 0.000568 trlgG= 0.049485 logG= 0.049561 TDE= -0.033150 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.85700666690481 eV TrLogG= -13.8610614887221 eV Ratio to renormalize= 0.999999999725 rho-rho_expected= 0.000000004393 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 42) Finished k-point number 43 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 58) Finished k-point number 59 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 99) Finished k-point number 100 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 75) Finished k-point number 76 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 20 92) Finished k-point number 93 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930946614548167 0.927589483764460 6) Finished k-point number 7 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 5) Finished k-point number 6 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 26) Finished k-point number 27 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 24) Finished k-point number 25 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 25) Finished k-point number 26 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 16) Finished k-point number 17 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 18) Finished k-point number 19 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 17) Finished k-point number 18 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 30) Finished k-point number 31 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 20 41) Finished k-point number 42 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 33) Finished k-point number 34 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 67) Finished k-point number 68 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 68) Finished k-point number 69 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0638448897145 Density= 16.0021523911551 16.0000000000000 EF 12.7917310576009 Density= 15.3814339540639 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96017498 0.94017498 0.215239E-02 -0.618566 1 0.96010562 0.94017498 0.272013E-03 -0.618566 2 0.96009560 0.96010562 -0.510641E-08 0.272013E-03 3 0.96009560 0.96009560 0.305533E-12 -0.510641E-08 Absolute convergence of |F(X)|. Difference in EF= -0.0010800108 EF set to : 13.0627648789 new EF (no-mixing): 13.0627648789 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001220 tlogG= -0.001251 logG= -0.002470 Density= 0.018958 ETOT(band)= 0.001240 trlgG= -0.001647 logG= -0.002470 TDE= -0.017378 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009734 tlogG= -0.009545 logG= -0.019279 Density= 0.151559 ETOT(band)= 0.010172 trlgG= -0.012440 logG= -0.019279 TDE= -0.138673 logGD-logG0= -0.002432 tlogG= -0.002407 logG= -0.004839 Density= 0.037864 ETOT(band)= 0.002573 trlgG= -0.003102 logG= -0.004839 TDE= -0.034617 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004863 tlogG= -0.004625 logG= -0.009488 Density= 0.075753 ETOT(band)= 0.005165 trlgG= -0.005990 logG= -0.009488 TDE= -0.069233 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002437 tlogG= -0.002083 logG= -0.004520 Density= 0.037419 ETOT(band)= 0.002610 trlgG= -0.002791 logG= -0.004520 TDE= -0.034196 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001591 tlogG= -0.001322 logG= -0.002913 Density= 0.022765 ETOT(band)= -0.000145 trlgG= -0.003516 logG= -0.002913 TDE= -0.022460 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009761 tlogG= -0.008080 logG= -0.017841 Density= 0.150439 ETOT(band)= 0.010567 trlgG= -0.010721 logG= -0.017841 TDE= -0.137315 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009781 tlogG= -0.006708 logG= -0.016489 Density= 0.144099 ETOT(band)= 0.005416 trlgG= -0.014357 logG= -0.016489 TDE= -0.136217 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009765 tlogG= -0.008686 logG= -0.018451 Density= 0.150630 ETOT(band)= 0.010639 trlgG= -0.011277 logG= -0.018451 TDE= -0.137445 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004883 tlogG= -0.004204 logG= -0.009087 Density= 0.075412 ETOT(band)= 0.005199 trlgG= -0.005620 logG= -0.009087 TDE= -0.068936 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009736 tlogG= -0.007821 logG= -0.017557 Density= 0.149844 ETOT(band)= 0.011023 trlgG= -0.009946 logG= -0.017557 TDE= -0.136253 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009776 tlogG= -0.008818 logG= -0.018594 Density= 0.151076 ETOT(band)= 0.010629 trlgG= -0.011390 logG= -0.018594 TDE= -0.137842 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019498 tlogG= -0.014820 logG= -0.034318 Density= 0.299151 ETOT(band)= 0.021256 trlgG= -0.019766 logG= -0.034318 TDE= -0.272662 logGD-logG0= -0.019522 tlogG= -0.015934 logG= -0.035456 Density= 0.301015 ETOT(band)= 0.021042 trlgG= -0.021312 logG= -0.035456 TDE= -0.274859 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009774 tlogG= -0.006661 logG= -0.016435 Density= 0.147400 ETOT(band)= 0.008770 trlgG= -0.011013 logG= -0.016435 TDE= -0.136097 logGD-logG0= -0.004862 tlogG= -0.003578 logG= -0.008440 Density= 0.074761 ETOT(band)= 0.005084 trlgG= -0.005009 logG= -0.008440 TDE= -0.068347 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003157 tlogG= -0.002564 logG= -0.005722 Density= 0.045589 ETOT(band)= 0.000120 trlgG= -0.006484 logG= -0.005722 TDE= -0.044532 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003129 tlogG= -0.002614 logG= -0.005743 logGD-logG0= -0.003175 tlogG= -0.002539 logG= -0.005714 Density= 0.045865 ETOT(band)= 0.000632 trlgG= -0.005915 logG= -0.005743 TDE= -0.044207 Density= 0.045352 ETOT(band)= -0.000294 trlgG= -0.006964 logG= -0.005714 TDE= -0.044792 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009530 tlogG= -0.007403 logG= -0.016933 Density= 0.136545 ETOT(band)= -0.000495 trlgG= -0.020348 logG= -0.016933 TDE= -0.134511 logGD-logG0= -0.009538 tlogG= -0.007490 logG= -0.017027 Density= 0.136677 ETOT(band)= -0.000548 trlgG= -0.020480 logG= -0.017027 TDE= -0.134676 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009515 tlogG= -0.007329 logG= -0.016844 Density= 0.136591 ETOT(band)= -0.000103 trlgG= -0.019835 logG= -0.016844 TDE= -0.134131 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009547 tlogG= -0.006691 logG= -0.016238 Density= 0.137830 ETOT(band)= 0.000867 trlgG= -0.018395 logG= -0.016238 TDE= -0.134487 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009840 tlogG= -0.007171 logG= -0.017011 Density= 0.147730 ETOT(band)= 0.009464 trlgG= -0.010927 logG= -0.017011 TDE= -0.135750 logGD-logG0= -0.009458 tlogG= -0.007396 logG= -0.016854 Density= 0.137270 ETOT(band)= 0.001212 trlgG= -0.018282 logG= -0.016854 TDE= -0.133221 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009520 tlogG= -0.006561 logG= -0.016081 Density= 0.137592 ETOT(band)= 0.001126 trlgG= -0.017922 logG= -0.016081 TDE= -0.133943 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009556 tlogG= -0.006657 logG= -0.016213 Density= 0.137772 ETOT(band)= 0.000889 trlgG= -0.018381 logG= -0.016213 TDE= -0.134443 logGD-logG0= -0.009542 tlogG= -0.006875 logG= -0.016417 Density= 0.138410 ETOT(band)= 0.001823 trlgG= -0.017400 logG= -0.016417 TDE= -0.133870 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004820 tlogG= -0.003115 logG= -0.007934 Density= 0.067534 ETOT(band)= -0.001190 trlgG= -0.010593 logG= -0.007934 TDE= -0.067498 logGD-logG0= -0.009778 tlogG= -0.007585 logG= -0.017363 Density= 0.148982 ETOT(band)= 0.010989 trlgG= -0.009771 logG= -0.017363 TDE= -0.135445 logGD-logG0= -0.009643 tlogG= -0.006390 logG= -0.016033 Density= 0.140259 ETOT(band)= 0.003551 trlgG= -0.015383 logG= -0.016033 TDE= -0.134012 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009493 tlogG= -0.007361 logG= -0.016854 logGD-logG0= -0.009814 tlogG= -0.006544 logG= -0.016358 Density= 0.136826 ETOT(band)= 0.000308 trlgG= -0.019347 logG= -0.016854 TDE= -0.133859 Density= 0.142617 ETOT(band)= 0.004636 trlgG= -0.014882 logG= -0.016358 TDE= -0.135451 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009603 tlogG= -0.005973 logG= -0.015576 Density= 0.137997 ETOT(band)= 0.001149 trlgG= -0.017446 logG= -0.015576 TDE= -0.134360 logGD-logG0= -0.009630 tlogG= -0.005665 logG= -0.015295 Density= 0.133765 ETOT(band)= -0.002885 trlgG= -0.021074 logG= -0.015295 TDE= -0.134206 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009619 tlogG= -0.006172 logG= -0.015791 Density= 0.138582 ETOT(band)= 0.001702 trlgG= -0.017033 logG= -0.015791 TDE= -0.134294 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009488 tlogG= -0.006851 logG= -0.016339 Density= 0.138980 ETOT(band)= 0.003114 trlgG= -0.015897 logG= -0.016339 TDE= -0.132993 logGD-logG0= -0.004831 tlogG= -0.002591 logG= -0.007422 logGD-logG0= -0.009714 tlogG= -0.006605 logG= -0.016319 Density= 0.065497 ETOT(band)= -0.002462 trlgG= -0.011212 logG= -0.007422 TDE= -0.066673 Density= 0.143612 ETOT(band)= 0.007088 trlgG= -0.012225 logG= -0.016319 TDE= -0.133787 logGD-logG0= -0.009539 tlogG= -0.006888 logG= -0.016427 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137433 ETOT(band)= 0.000403 trlgG= -0.019061 logG= -0.016427 TDE= -0.134583 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009648 tlogG= -0.006053 logG= -0.015701 Density= 0.135731 ETOT(band)= -0.001382 trlgG= -0.020034 logG= -0.015701 TDE= -0.134647 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009582 tlogG= -0.005651 logG= -0.015232 Density= 0.136828 ETOT(band)= 0.000513 trlgG= -0.017733 logG= -0.015232 TDE= -0.133869 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019195 tlogG= -0.012179 logG= -0.031374 Density= 0.278165 ETOT(band)= 0.004380 trlgG= -0.033171 logG= -0.031374 TDE= -0.268861 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019681 tlogG= -0.012836 logG= -0.032517 Density= 0.285503 ETOT(band)= 0.009025 trlgG= -0.029923 logG= -0.032517 TDE= -0.271516 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019068 tlogG= -0.013780 logG= -0.032848 Density= 0.275036 ETOT(band)= 0.001436 trlgG= -0.037354 logG= -0.032848 TDE= -0.268567 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019177 tlogG= -0.012024 logG= -0.031201 logGD-logG0= -0.009860 tlogG= -0.006555 logG= -0.016414 Density= 0.277830 ETOT(band)= 0.004344 trlgG= -0.032989 logG= -0.031201 TDE= -0.268532 Density= 0.143334 ETOT(band)= 0.004808 trlgG= -0.014873 logG= -0.016414 TDE= -0.136073 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019435 tlogG= -0.012127 logG= -0.031562 Density= 0.281469 ETOT(band)= 0.007310 trlgG= -0.030412 logG= -0.031562 TDE= -0.269087 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019282 tlogG= -0.010916 logG= -0.030198 Density= 0.271372 ETOT(band)= -0.001717 trlgG= -0.037879 logG= -0.030198 TDE= -0.268225 logGD-logG0= -0.019177 tlogG= -0.012331 logG= -0.031508 Density= 0.277959 ETOT(band)= 0.004766 trlgG= -0.032714 logG= -0.031508 TDE= -0.268074 logGD-logG0= -0.000390 tlogG= 0.008631 logG= 0.008241 logGD-logG0= -0.019369 tlogG= -0.010244 logG= -0.029613 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.264617 ETOT(band)= -0.007378 trlgG= -0.042658 logG= -0.029613 TDE= -0.267103 Density= 0.005715 ETOT(band)= 0.000070 trlgG= 0.008204 logG= 0.008241 TDE= -0.005525 logGD-logG0= -0.019302 tlogG= -0.011524 logG= -0.030826 Density= 0.275214 ETOT(band)= 0.001450 trlgG= -0.035312 logG= -0.030826 TDE= -0.268718 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.009655 tlogG= -0.005491 logG= -0.015146 Density= 0.133121 ETOT(band)= -0.003484 trlgG= -0.021463 logG= -0.015146 TDE= -0.134125 logGD-logG0= -0.019395 tlogG= -0.010516 logG= -0.029911 Density= 0.278274 ETOT(band)= 0.005216 trlgG= -0.030717 logG= -0.029911 TDE= -0.267976 logGD-logG0= -0.019108 tlogG= -0.012414 logG= -0.031522 Density= 0.278811 ETOT(band)= 0.006770 trlgG= -0.030494 logG= -0.031522 TDE= -0.266657 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019104 tlogG= -0.011708 logG= -0.030812 Density= 0.276424 ETOT(band)= 0.004262 trlgG= -0.032489 logG= -0.030812 TDE= -0.267070 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018999 tlogG= -0.013826 logG= -0.032825 logGD-logG0= -0.019720 tlogG= -0.012824 logG= -0.032544 Density= 0.275699 ETOT(band)= 0.003264 trlgG= -0.035108 logG= -0.032825 TDE= -0.266980 Density= 0.290017 ETOT(band)= 0.015697 trlgG= -0.023151 logG= -0.032544 TDE= -0.269051 logGD-logG0= -0.019321 tlogG= -0.011751 logG= -0.031072 Density= 0.269945 ETOT(band)= -0.004319 trlgG= -0.041306 logG= -0.031072 TDE= -0.269407 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009734 tlogG= -0.004901 logG= -0.014635 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.131257 ETOT(band)= -0.004729 trlgG= -0.022160 logG= -0.014635 TDE= -0.133544 logGD-logG0= -0.019540 tlogG= -0.011979 logG= -0.031519 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.280296 ETOT(band)= 0.004870 trlgG= -0.032905 logG= -0.031519 TDE= -0.270497 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009723 tlogG= -0.005232 logG= -0.014955 Density= 0.140021 ETOT(band)= 0.003194 trlgG= -0.014829 logG= -0.014955 TDE= -0.134308 logGD-logG0= -0.019476 tlogG= -0.011211 logG= -0.030687 Density= 0.278282 ETOT(band)= 0.004246 trlgG= -0.032515 logG= -0.030687 TDE= -0.269006 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009876 tlogG= -0.006011 logG= -0.015887 Density= 0.144241 ETOT(band)= 0.006861 trlgG= -0.012171 logG= -0.015887 TDE= -0.134769 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019369 tlogG= -0.010674 logG= -0.030043 logGD-logG0= -0.019330 tlogG= -0.010602 logG= -0.029932 Density= 0.272268 ETOT(band)= -0.001433 trlgG= -0.037280 logG= -0.030043 TDE= -0.268641 Density= 0.275065 ETOT(band)= 0.002999 trlgG= -0.032842 logG= -0.029932 TDE= -0.266998 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009671 tlogG= -0.005528 logG= -0.015199 Density= 0.135773 ETOT(band)= -0.001181 trlgG= -0.019180 logG= -0.015199 TDE= -0.134337 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019415 tlogG= -0.010157 logG= -0.029572 Density= 0.267448 ETOT(band)= -0.005429 trlgG= -0.040713 logG= -0.029572 TDE= -0.267916 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009681 tlogG= -0.005308 logG= -0.014989 Density= 0.136850 ETOT(band)= 0.000056 trlgG= -0.017787 logG= -0.014989 TDE= -0.134187 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009661 tlogG= -0.005171 logG= -0.014833 Density= 0.136335 ETOT(band)= -0.000334 trlgG= -0.017925 logG= -0.014833 TDE= -0.133987 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004839 tlogG= -0.002671 logG= -0.007509 Density= 0.068583 ETOT(band)= 0.000125 trlgG= -0.008859 logG= -0.007509 TDE= -0.067196 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002458 tlogG= -0.001877 logG= -0.004335 Density= 0.037011 ETOT(band)= 0.002711 trlgG= -0.002437 logG= -0.004335 TDE= -0.033637 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009413 tlogG= -0.008851 logG= -0.018264 Density= 0.139425 ETOT(band)= 0.003883 trlgG= -0.016895 logG= -0.018264 TDE= -0.132492 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002355 tlogG= -0.002354 logG= -0.004709 Density= 0.034878 ETOT(band)= 0.000987 trlgG= -0.004381 logG= -0.004709 TDE= -0.033159 logGD-logG0= -0.009465 tlogG= -0.007786 logG= -0.017251 Density= 0.138551 ETOT(band)= 0.003057 trlgG= -0.016648 logG= -0.017251 TDE= -0.132419 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009530 tlogG= -0.007361 logG= -0.016891 Density= 0.141014 ETOT(band)= 0.005462 trlgG= -0.014168 logG= -0.016891 TDE= -0.132664 logGD-logG0= -0.009446 tlogG= -0.008014 logG= -0.017461 Density= 0.138822 ETOT(band)= 0.003441 trlgG= -0.016525 logG= -0.017461 TDE= -0.132346 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009478 tlogG= -0.008466 logG= -0.017944 Density= 0.140887 ETOT(band)= 0.005270 trlgG= -0.015330 logG= -0.017944 TDE= -0.132650 logGD-logG0= -0.009768 tlogG= -0.007215 logG= -0.016982 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.145043 ETOT(band)= 0.008759 trlgG= -0.011128 logG= -0.016982 TDE= -0.133401 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009512 tlogG= -0.007441 logG= -0.016953 Density= 0.137520 ETOT(band)= 0.001776 trlgG= -0.017778 logG= -0.016953 TDE= -0.132856 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004724 tlogG= -0.004038 logG= -0.008762 logGD-logG0= -0.002403 tlogG= -0.001978 logG= -0.004382 logGD-logG0= -0.009519 tlogG= -0.006919 logG= -0.016438 Density= 0.035826 ETOT(band)= 0.001839 trlgG= -0.003227 logG= -0.004382 TDE= -0.033242 Density= 0.139337 ETOT(band)= 0.004107 trlgG= -0.014981 logG= -0.016438 TDE= -0.132320 Density= 0.069942 ETOT(band)= 0.002247 trlgG= -0.007797 logG= -0.008762 TDE= -0.066187 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009683 tlogG= -0.005359 logG= -0.015041 Density= 0.134107 ETOT(band)= -0.001365 trlgG= -0.019278 logG= -0.015041 TDE= -0.132993 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009570 tlogG= -0.006387 logG= -0.015957 Density= 0.137370 ETOT(band)= 0.001821 trlgG= -0.017029 logG= -0.015957 TDE= -0.132959 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004817 tlogG= -0.002841 logG= -0.007658 Density= 0.068514 ETOT(band)= 0.000995 trlgG= -0.008084 logG= -0.007658 TDE= -0.066206 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018937 tlogG= -0.015830 logG= -0.034767 Density= 0.280421 ETOT(band)= 0.009505 trlgG= -0.030423 logG= -0.034767 TDE= -0.264887 logGD-logG0= -0.019280 tlogG= -0.013303 logG= -0.032583 Density= 0.284808 ETOT(band)= 0.013217 trlgG= -0.025214 logG= -0.032583 TDE= -0.266074 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009412 tlogG= -0.009080 logG= -0.018492 Density= 0.139619 ETOT(band)= 0.004075 trlgG= -0.017000 logG= -0.018492 TDE= -0.132556 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009883 tlogG= -0.006756 logG= -0.016638 Density= 0.145988 ETOT(band)= 0.009284 trlgG= -0.010575 logG= -0.016638 TDE= -0.134099 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019049 tlogG= -0.014050 logG= -0.033099 Density= 0.277499 ETOT(band)= 0.006574 trlgG= -0.031733 logG= -0.033099 TDE= -0.265059 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009576 tlogG= -0.007562 logG= -0.017138 Density= 0.142541 ETOT(band)= 0.006801 trlgG= -0.013081 logG= -0.017138 TDE= -0.132795 logGD-logG0= -0.009721 tlogG= -0.005041 logG= -0.014762 Density= 0.130988 ETOT(band)= -0.004276 trlgG= -0.021819 logG= -0.014762 TDE= -0.132819 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009747 tlogG= -0.005727 logG= -0.015474 Density= 0.141580 ETOT(band)= 0.005720 trlgG= -0.012849 logG= -0.015474 TDE= -0.133305 logGD-logG0= -0.019218 tlogG= -0.011767 logG= -0.030986 Density= 0.276980 ETOT(band)= 0.006317 trlgG= -0.030460 logG= -0.030986 TDE= -0.265401 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009556 tlogG= -0.006699 logG= -0.016255 Density= 0.140829 ETOT(band)= 0.005528 trlgG= -0.013575 logG= -0.016255 TDE= -0.132529 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003138 tlogG= 0.069462 logG= 0.066324 Density= 0.046202 ETOT(band)= 0.001017 trlgG= 0.066497 logG= 0.066324 TDE= -0.044186 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003158 tlogG= 0.069861 logG= 0.066703 Density= 0.046275 ETOT(band)= 0.001119 trlgG= 0.066992 logG= 0.066703 TDE= -0.044139 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003127 tlogG= 0.069178 logG= 0.066051 Density= 0.045843 ETOT(band)= 0.000687 trlgG= 0.065869 logG= 0.066051 TDE= -0.044195 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002346 tlogG= 0.051903 logG= 0.049557 Density= 0.034446 ETOT(band)= 0.000566 trlgG= 0.049478 logG= 0.049557 TDE= -0.033150 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009446 tlogG= 0.209106 logG= 0.199660 Density= 0.139088 ETOT(band)= 0.003617 trlgG= 0.200695 logG= 0.199660 TDE= -0.132504 logGD-logG0= -0.009409 tlogG= 0.208406 logG= 0.198997 Density= 0.138573 ETOT(band)= 0.003077 trlgG= 0.199459 logG= 0.198997 TDE= -0.132582 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004696 tlogG= 0.104021 logG= 0.099325 Density= 0.069140 ETOT(band)= 0.001370 trlgG= 0.099414 logG= 0.099325 TDE= -0.066292 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.84092861666717 eV TrLogG= -13.8765896432478 eV Ratio to renormalize= 0.999999999726 rho-rho_expected= 0.000000004392 nargs= 1 argi=dmft2.def 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 51) Finished k-point number 52 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 57) Finished k-point number 58 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 60) Finished k-point number 61 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 30) Finished k-point number 31 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 99) Finished k-point number 100 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 90) Finished k-point number 91 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 92) Finished k-point number 93 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931003590702494 0.927551782891850 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 37) Finished k-point number 38 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 20 24) Finished k-point number 25 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0627648789488 Density= 16.0020056007798 16.0000000000000 EF 12.7906510468352 Density= 15.3815084584816 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96009560 0.94009560 0.200560E-02 -0.618492 1 0.96003095 0.94009560 0.253455E-03 -0.618492 2 0.96002160 0.96003095 -0.445988E-08 0.253455E-03 3 0.96002160 0.96002160 0.234479E-12 -0.445988E-08 Absolute convergence of |F(X)|. Difference in EF= -0.0010067142 EF set to : 13.0617581647 new EF (no-mixing): 13.0617581647 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001220 tlogG= -0.001250 logG= -0.002470 Density= 0.018959 ETOT(band)= 0.001239 trlgG= -0.001647 logG= -0.002470 TDE= -0.017377 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009734 tlogG= -0.009543 logG= -0.019277 Density= 0.151564 ETOT(band)= 0.010167 trlgG= -0.012442 logG= -0.019277 TDE= -0.138670 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002432 tlogG= -0.002407 logG= -0.004839 Density= 0.037866 ETOT(band)= 0.002572 trlgG= -0.003103 logG= -0.004839 TDE= -0.034616 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004863 tlogG= -0.004624 logG= -0.009487 Density= 0.075756 ETOT(band)= 0.005163 trlgG= -0.005991 logG= -0.009487 TDE= -0.069231 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002437 tlogG= -0.002083 logG= -0.004520 Density= 0.037420 ETOT(band)= 0.002610 trlgG= -0.002790 logG= -0.004520 TDE= -0.034195 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001591 tlogG= -0.001323 logG= -0.002914 Density= 0.022766 ETOT(band)= -0.000146 trlgG= -0.003518 logG= -0.002914 TDE= -0.022460 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009765 tlogG= -0.008685 logG= -0.018450 Density= 0.150637 ETOT(band)= 0.010636 trlgG= -0.011278 logG= -0.018450 TDE= -0.137442 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009781 tlogG= -0.006707 logG= -0.016488 Density= 0.144095 ETOT(band)= 0.005403 trlgG= -0.014368 logG= -0.016488 TDE= -0.136214 logGD-logG0= -0.004883 tlogG= -0.004203 logG= -0.009087 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.075416 ETOT(band)= 0.005197 trlgG= -0.005620 logG= -0.009087 TDE= -0.068934 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009761 tlogG= -0.008079 logG= -0.017840 Density= 0.150445 ETOT(band)= 0.010564 trlgG= -0.010722 logG= -0.017840 TDE= -0.137312 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009776 tlogG= -0.008817 logG= -0.018593 Density= 0.151082 ETOT(band)= 0.010626 trlgG= -0.011391 logG= -0.018593 TDE= -0.137839 logGD-logG0= -0.009735 tlogG= -0.007821 logG= -0.017556 Density= 0.149850 ETOT(band)= 0.011020 trlgG= -0.009947 logG= -0.017556 TDE= -0.136251 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019521 tlogG= -0.015935 logG= -0.035456 Density= 0.301028 ETOT(band)= 0.021036 trlgG= -0.021316 logG= -0.035456 TDE= -0.274854 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019498 tlogG= -0.014817 logG= -0.034315 Density= 0.299159 ETOT(band)= 0.021244 trlgG= -0.019773 logG= -0.034315 TDE= -0.272656 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004862 tlogG= -0.003577 logG= -0.008439 Density= 0.074763 ETOT(band)= 0.005082 trlgG= -0.005011 logG= -0.008439 TDE= -0.068346 logGD-logG0= -0.009774 tlogG= -0.006660 logG= -0.016434 Density= 0.147403 ETOT(band)= 0.008763 trlgG= -0.011018 logG= -0.016434 TDE= -0.136095 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003175 tlogG= -0.002537 logG= -0.005713 Density= 0.045352 ETOT(band)= -0.000296 trlgG= -0.006965 logG= -0.005713 TDE= -0.044791 logGD-logG0= -0.003129 tlogG= -0.002614 logG= -0.005743 Density= 0.045866 ETOT(band)= 0.000630 trlgG= -0.005917 logG= -0.005743 TDE= -0.044207 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009538 tlogG= -0.007490 logG= -0.017028 logGD-logG0= -0.003157 tlogG= -0.002565 logG= -0.005722 Density= 0.045590 ETOT(band)= 0.000118 trlgG= -0.006487 logG= -0.005722 TDE= -0.044532 Density= 0.136681 ETOT(band)= -0.000553 trlgG= -0.020485 logG= -0.017028 TDE= -0.134674 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009530 tlogG= -0.007404 logG= -0.016934 Density= 0.136551 ETOT(band)= -0.000499 trlgG= -0.020352 logG= -0.016934 TDE= -0.134510 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009547 tlogG= -0.006693 logG= -0.016240 Density= 0.137831 ETOT(band)= 0.000858 trlgG= -0.018405 logG= -0.016240 TDE= -0.134485 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009514 tlogG= -0.007330 logG= -0.016844 Density= 0.136595 ETOT(band)= -0.000109 trlgG= -0.019840 logG= -0.016844 TDE= -0.134130 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009840 tlogG= -0.007172 logG= -0.017011 Density= 0.147741 ETOT(band)= 0.009466 trlgG= -0.010924 logG= -0.017011 TDE= -0.135747 logGD-logG0= -0.009458 tlogG= -0.007396 logG= -0.016854 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137275 ETOT(band)= 0.001206 trlgG= -0.018287 logG= -0.016854 TDE= -0.133220 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009778 tlogG= -0.007583 logG= -0.017361 Density= 0.148988 ETOT(band)= 0.010985 trlgG= -0.009772 logG= -0.017361 TDE= -0.135442 logGD-logG0= -0.009494 tlogG= -0.007362 logG= -0.016855 Density= 0.136828 ETOT(band)= 0.000301 trlgG= -0.019355 logG= -0.016855 TDE= -0.133858 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009813 tlogG= -0.006546 logG= -0.016359 Density= 0.142613 ETOT(band)= 0.004622 trlgG= -0.014896 logG= -0.016359 TDE= -0.135448 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009518 tlogG= -0.006559 logG= -0.016078 Density= 0.137594 ETOT(band)= 0.001117 trlgG= -0.017926 logG= -0.016078 TDE= -0.133941 logGD-logG0= -0.009643 tlogG= -0.006391 logG= -0.016035 Density= 0.140256 ETOT(band)= 0.003539 trlgG= -0.015396 logG= -0.016035 TDE= -0.134010 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009489 tlogG= -0.006851 logG= -0.016340 Density= 0.138981 ETOT(band)= 0.003105 trlgG= -0.015906 logG= -0.016340 TDE= -0.132991 logGD-logG0= -0.004820 tlogG= -0.003117 logG= -0.007937 Density= 0.067539 ETOT(band)= -0.001189 trlgG= -0.010594 logG= -0.007937 TDE= -0.067497 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009629 tlogG= -0.005665 logG= -0.015294 Density= 0.133771 ETOT(band)= -0.002890 trlgG= -0.021076 logG= -0.015294 TDE= -0.134204 logGD-logG0= -0.009542 tlogG= -0.006874 logG= -0.016416 Density= 0.138412 ETOT(band)= 0.001815 trlgG= -0.017406 logG= -0.016416 TDE= -0.133868 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009602 tlogG= -0.005974 logG= -0.015576 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137998 ETOT(band)= 0.001139 trlgG= -0.017454 logG= -0.015576 TDE= -0.134359 logGD-logG0= -0.009583 tlogG= -0.005652 logG= -0.015235 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136835 ETOT(band)= 0.000511 trlgG= -0.017738 logG= -0.015235 TDE= -0.133867 logGD-logG0= -0.009619 tlogG= -0.006173 logG= -0.015792 Density= 0.138581 ETOT(band)= 0.001691 trlgG= -0.017043 logG= -0.015792 TDE= -0.134292 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009555 tlogG= -0.006656 logG= -0.016211 Density= 0.137774 ETOT(band)= 0.000881 trlgG= -0.018386 logG= -0.016211 TDE= -0.134441 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009539 tlogG= -0.006889 logG= -0.016429 Density= 0.137435 ETOT(band)= 0.000396 trlgG= -0.019069 logG= -0.016429 TDE= -0.134581 logGD-logG0= -0.004831 tlogG= -0.002593 logG= -0.007424 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.065506 ETOT(band)= -0.002457 trlgG= -0.011209 logG= -0.007424 TDE= -0.066673 logGD-logG0= -0.009713 tlogG= -0.006607 logG= -0.016320 logGD-logG0= -0.009648 tlogG= -0.006053 logG= -0.015701 Density= 0.143609 ETOT(band)= 0.007076 trlgG= -0.012237 logG= -0.016320 TDE= -0.133785 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.135733 ETOT(band)= -0.001389 trlgG= -0.020040 logG= -0.015701 TDE= -0.134646 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009859 tlogG= -0.006554 logG= -0.016412 Density= 0.143323 ETOT(band)= 0.004788 trlgG= -0.014890 logG= -0.016412 TDE= -0.136071 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019680 tlogG= -0.012836 logG= -0.032516 Density= 0.285490 ETOT(band)= 0.008995 trlgG= -0.029950 logG= -0.032516 TDE= -0.271511 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019069 tlogG= -0.013777 logG= -0.032846 Density= 0.275044 ETOT(band)= 0.001425 trlgG= -0.037362 logG= -0.032846 TDE= -0.268564 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019196 tlogG= -0.012179 logG= -0.031374 Density= 0.278166 ETOT(band)= 0.004363 trlgG= -0.033186 logG= -0.031374 TDE= -0.268857 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009658 tlogG= -0.005499 logG= -0.015157 Density= 0.133153 ETOT(band)= -0.003459 trlgG= -0.021452 logG= -0.015157 TDE= -0.134124 logGD-logG0= -0.018999 tlogG= -0.013825 logG= -0.032824 Density= 0.275705 ETOT(band)= 0.003251 trlgG= -0.035119 logG= -0.032824 TDE= -0.266977 logGD-logG0= -0.019282 tlogG= -0.010918 logG= -0.030200 Density= 0.271369 ETOT(band)= -0.001739 trlgG= -0.037901 logG= -0.030200 TDE= -0.268221 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019107 tlogG= -0.012417 logG= -0.031525 logGD-logG0= -0.019177 tlogG= -0.012032 logG= -0.031209 Density= 0.278807 ETOT(band)= 0.006747 trlgG= -0.030517 logG= -0.031525 TDE= -0.266653 Density= 0.277829 ETOT(band)= 0.004325 trlgG= -0.033015 logG= -0.031209 TDE= -0.268528 logGD-logG0= -0.019371 tlogG= -0.010245 logG= -0.029616 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.264607 ETOT(band)= -0.007405 trlgG= -0.042687 logG= -0.029616 TDE= -0.267099 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019435 tlogG= -0.012130 logG= -0.031565 Density= 0.281456 ETOT(band)= 0.007280 trlgG= -0.030444 logG= -0.031565 TDE= -0.269083 logGD-logG0= -0.019302 tlogG= -0.011526 logG= -0.030828 Density= 0.275208 ETOT(band)= 0.001426 trlgG= -0.035337 logG= -0.030828 TDE= -0.268714 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019177 tlogG= -0.012331 logG= -0.031508 Density= 0.277958 ETOT(band)= 0.004746 trlgG= -0.032732 logG= -0.031508 TDE= -0.268070 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019394 tlogG= -0.010523 logG= -0.029917 Density= 0.278243 ETOT(band)= 0.005167 trlgG= -0.030771 logG= -0.029917 TDE= -0.267972 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000390 tlogG= 0.008631 logG= 0.008240 Density= 0.005716 ETOT(band)= 0.000070 trlgG= 0.008203 logG= 0.008240 TDE= -0.005524 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019096 tlogG= -0.011704 logG= -0.030800 Density= 0.276420 ETOT(band)= 0.004233 trlgG= -0.032498 logG= -0.030800 TDE= -0.267067 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019415 tlogG= -0.010156 logG= -0.029572 Density= 0.267430 ETOT(band)= -0.005465 trlgG= -0.040746 logG= -0.029572 TDE= -0.267913 logGD-logG0= -0.019719 tlogG= -0.012822 logG= -0.032542 Density= 0.290015 ETOT(band)= 0.015677 trlgG= -0.023168 logG= -0.032542 TDE= -0.269047 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019321 tlogG= -0.011754 logG= -0.031075 Density= 0.269950 ETOT(band)= -0.004332 trlgG= -0.041322 logG= -0.031075 TDE= -0.269404 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009733 tlogG= -0.004902 logG= -0.014636 logGD-logG0= -0.019475 tlogG= -0.011213 logG= -0.030688 Density= 0.131243 ETOT(band)= -0.004752 trlgG= -0.022181 logG= -0.014636 TDE= -0.133542 Density= 0.278278 ETOT(band)= 0.004224 trlgG= -0.032537 logG= -0.030688 TDE= -0.269002 logGD-logG0= -0.009721 tlogG= -0.005231 logG= -0.014952 Density= 0.140006 ETOT(band)= 0.003169 trlgG= -0.014849 logG= -0.014952 TDE= -0.134306 logGD-logG0= -0.019370 tlogG= -0.010673 logG= -0.030044 Density= 0.272264 ETOT(band)= -0.001455 trlgG= -0.037302 logG= -0.030044 TDE= -0.268637 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019539 tlogG= -0.011980 logG= -0.031519 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.280287 ETOT(band)= 0.004843 trlgG= -0.032930 logG= -0.031519 TDE= -0.270492 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019329 tlogG= -0.010602 logG= -0.029931 Density= 0.275046 ETOT(band)= 0.002962 trlgG= -0.032875 logG= -0.029931 TDE= -0.266994 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009876 tlogG= -0.006010 logG= -0.015886 Density= 0.144237 ETOT(band)= 0.006848 trlgG= -0.012182 logG= -0.015886 TDE= -0.134766 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009681 tlogG= -0.005308 logG= -0.014989 Density= 0.136848 ETOT(band)= 0.000045 trlgG= -0.017797 logG= -0.014989 TDE= -0.134185 logGD-logG0= -0.009672 tlogG= -0.005531 logG= -0.015204 Density= 0.135770 ETOT(band)= -0.001192 trlgG= -0.019196 logG= -0.015204 TDE= -0.134335 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009661 tlogG= -0.005173 logG= -0.014834 Density= 0.136337 ETOT(band)= -0.000341 trlgG= -0.017933 logG= -0.014834 TDE= -0.133985 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004839 tlogG= -0.002671 logG= -0.007509 Density= 0.068583 ETOT(band)= 0.000120 trlgG= -0.008863 logG= -0.007509 TDE= -0.067195 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009413 tlogG= -0.008851 logG= -0.018264 Density= 0.139426 ETOT(band)= 0.003875 trlgG= -0.016903 logG= -0.018264 TDE= -0.132491 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002458 tlogG= -0.001876 logG= -0.004334 Density= 0.037012 ETOT(band)= 0.002709 trlgG= -0.002438 logG= -0.004334 TDE= -0.033636 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002355 tlogG= -0.002354 logG= -0.004709 Density= 0.034879 ETOT(band)= 0.000985 trlgG= -0.004383 logG= -0.004709 TDE= -0.033158 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009465 tlogG= -0.007786 logG= -0.017251 logGD-logG0= -0.009512 tlogG= -0.007441 logG= -0.016953 Density= 0.138554 ETOT(band)= 0.003050 trlgG= -0.016654 logG= -0.017251 TDE= -0.132418 Density= 0.137523 ETOT(band)= 0.001769 trlgG= -0.017783 logG= -0.016953 TDE= -0.132855 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009446 tlogG= -0.008015 logG= -0.017461 Density= 0.138824 ETOT(band)= 0.003433 trlgG= -0.016532 logG= -0.017461 TDE= -0.132345 logGD-logG0= -0.009530 tlogG= -0.007360 logG= -0.016890 Density= 0.141013 ETOT(band)= 0.005452 trlgG= -0.014177 logG= -0.016890 TDE= -0.132662 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002403 tlogG= -0.001978 logG= -0.004382 Density= 0.035826 ETOT(band)= 0.001837 trlgG= -0.003230 logG= -0.004382 TDE= -0.033242 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004724 tlogG= -0.004039 logG= -0.008763 Density= 0.069942 ETOT(band)= 0.002243 trlgG= -0.007802 logG= -0.008763 TDE= -0.066186 logGD-logG0= -0.009768 tlogG= -0.007214 logG= -0.016981 Density= 0.145043 ETOT(band)= 0.008750 trlgG= -0.011136 logG= -0.016981 TDE= -0.133399 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009520 tlogG= -0.006919 logG= -0.016439 Density= 0.139338 ETOT(band)= 0.004099 trlgG= -0.014990 logG= -0.016439 TDE= -0.132318 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009478 tlogG= -0.008466 logG= -0.017944 Density= 0.140887 ETOT(band)= 0.005261 trlgG= -0.015338 logG= -0.017944 TDE= -0.132648 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009570 tlogG= -0.006388 logG= -0.015958 Density= 0.137373 ETOT(band)= 0.001813 trlgG= -0.017035 logG= -0.015958 TDE= -0.132958 logGD-logG0= -0.009682 tlogG= -0.005358 logG= -0.015040 Density= 0.134103 ETOT(band)= -0.001379 trlgG= -0.019290 logG= -0.015040 TDE= -0.132991 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018937 tlogG= -0.015831 logG= -0.034767 Density= 0.280423 ETOT(band)= 0.009487 trlgG= -0.030439 logG= -0.034767 TDE= -0.264884 logGD-logG0= -0.004817 tlogG= -0.002840 logG= -0.007658 Density= 0.068509 ETOT(band)= 0.000985 trlgG= -0.008093 logG= -0.007658 TDE= -0.066206 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009412 tlogG= -0.009080 logG= -0.018492 Density= 0.139621 ETOT(band)= 0.004066 trlgG= -0.017008 logG= -0.018492 TDE= -0.132555 logGD-logG0= -0.009575 tlogG= -0.007562 logG= -0.017137 Density= 0.142539 ETOT(band)= 0.006790 trlgG= -0.013090 logG= -0.017137 TDE= -0.132794 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009882 tlogG= -0.006755 logG= -0.016637 logGD-logG0= -0.019280 tlogG= -0.013303 logG= -0.032583 Density= 0.284801 ETOT(band)= 0.013192 trlgG= -0.025238 logG= -0.032583 TDE= -0.266070 Density= 0.145989 ETOT(band)= 0.009274 trlgG= -0.010582 logG= -0.016637 TDE= -0.134097 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009721 tlogG= -0.005041 logG= -0.014761 Density= 0.130984 ETOT(band)= -0.004289 trlgG= -0.021832 logG= -0.014761 TDE= -0.132817 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019049 tlogG= -0.014046 logG= -0.033096 Density= 0.277504 ETOT(band)= 0.006560 trlgG= -0.031742 logG= -0.033096 TDE= -0.265056 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009746 tlogG= -0.005727 logG= -0.015473 Density= 0.141574 ETOT(band)= 0.005706 trlgG= -0.012862 logG= -0.015473 TDE= -0.133303 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009554 tlogG= -0.006699 logG= -0.016253 Density= 0.140830 ETOT(band)= 0.005517 trlgG= -0.013582 logG= -0.016253 TDE= -0.132528 logGD-logG0= -0.019217 tlogG= -0.011762 logG= -0.030979 Density= 0.276977 ETOT(band)= 0.006295 trlgG= -0.030473 logG= -0.030979 TDE= -0.265398 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003158 tlogG= 0.069855 logG= 0.066697 logGD-logG0= -0.003128 tlogG= 0.069172 logG= 0.066045 Density= 0.045844 ETOT(band)= 0.000684 trlgG= 0.065861 logG= 0.066045 TDE= -0.044195 Density= 0.046276 ETOT(band)= 0.001116 trlgG= 0.066985 logG= 0.066697 TDE= -0.044138 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003138 tlogG= 0.069457 logG= 0.066319 Density= 0.046203 ETOT(band)= 0.001014 trlgG= 0.066489 logG= 0.066319 TDE= -0.044186 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002346 tlogG= 0.051899 logG= 0.049552 Density= 0.034447 ETOT(band)= 0.000565 trlgG= 0.049473 logG= 0.049552 TDE= -0.033150 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004696 tlogG= 0.104012 logG= 0.099316 Density= 0.069142 ETOT(band)= 0.001366 trlgG= 0.099402 logG= 0.099316 TDE= -0.066292 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009445 tlogG= 0.209091 logG= 0.199645 Density= 0.139090 ETOT(band)= 0.003608 trlgG= 0.200673 logG= 0.199645 TDE= -0.132502 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009408 tlogG= 0.208389 logG= 0.198981 Density= 0.138576 ETOT(band)= 0.003069 trlgG= 0.199436 logG= 0.198981 TDE= -0.132580 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.82614340431302 eV TrLogG= -13.8906967416674 eV Ratio to renormalize= 0.999999999726 rho-rho_expected= 0.000000004392 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 55) Finished k-point number 56 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 36) Finished k-point number 37 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 77) Finished k-point number 78 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 95) Finished k-point number 96 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 85) Finished k-point number 86 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931050342486106 0.927550955251812 35) Finished k-point number 36 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 9) Finished k-point number 10 1 with #bands= 26 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 20 16) Finished k-point number 17 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0617581647296 Density= 16.0053418442224 16.0000000000000 EF 12.7896443326160 Density= 15.3864622403761 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96002160 0.94002160 0.534184E-02 -0.613538 1 0.95984897 0.94002160 0.670861E-03 -0.613538 2 0.95982421 0.95984897 -0.286198E-07 0.670861E-03 3 0.95982421 0.95982421 0.409273E-11 -0.286198E-07 Absolute convergence of |F(X)|. Difference in EF= -0.0026856950 EF set to : 13.0590724697 new EF (no-mixing): 13.0590724697 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001220 tlogG= -0.001250 logG= -0.002470 Density= 0.018961 ETOT(band)= 0.001238 trlgG= -0.001647 logG= -0.002470 TDE= -0.017376 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002432 tlogG= -0.002406 logG= -0.004838 Density= 0.037870 ETOT(band)= 0.002570 trlgG= -0.003104 logG= -0.004838 TDE= -0.034614 logGD-logG0= -0.009733 tlogG= -0.009543 logG= -0.019276 Density= 0.151583 ETOT(band)= 0.010159 trlgG= -0.012445 logG= -0.019276 TDE= -0.138662 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004863 tlogG= -0.004624 logG= -0.009486 Density= 0.075765 ETOT(band)= 0.005159 trlgG= -0.005993 logG= -0.009486 TDE= -0.069227 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002436 tlogG= -0.002083 logG= -0.004519 Density= 0.037426 ETOT(band)= 0.002609 trlgG= -0.002790 logG= -0.004519 TDE= -0.034193 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001591 tlogG= -0.001323 logG= -0.002913 Density= 0.022768 ETOT(band)= -0.000149 trlgG= -0.003519 logG= -0.002913 TDE= -0.022459 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009760 tlogG= -0.008077 logG= -0.017838 Density= 0.150463 ETOT(band)= 0.010556 trlgG= -0.010724 logG= -0.017838 TDE= -0.137305 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009780 tlogG= -0.006707 logG= -0.016488 Density= 0.144071 ETOT(band)= 0.005354 trlgG= -0.014412 logG= -0.016488 TDE= -0.136207 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009764 tlogG= -0.008684 logG= -0.018448 Density= 0.150656 ETOT(band)= 0.010629 trlgG= -0.011279 logG= -0.018448 TDE= -0.137435 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004883 tlogG= -0.004202 logG= -0.009085 Density= 0.075425 ETOT(band)= 0.005193 trlgG= -0.005622 logG= -0.009085 TDE= -0.068931 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009735 tlogG= -0.007819 logG= -0.017554 Density= 0.149870 ETOT(band)= 0.011014 trlgG= -0.009949 logG= -0.017554 TDE= -0.136244 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009775 tlogG= -0.008816 logG= -0.018591 Density= 0.151100 ETOT(band)= 0.010618 trlgG= -0.011393 logG= -0.018591 TDE= -0.137832 logGD-logG0= -0.019519 tlogG= -0.015932 logG= -0.035452 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.301066 ETOT(band)= 0.021021 trlgG= -0.021320 logG= -0.035452 TDE= -0.274839 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019497 tlogG= -0.014814 logG= -0.034311 Density= 0.299193 ETOT(band)= 0.021227 trlgG= -0.019780 logG= -0.034311 TDE= -0.272642 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004862 tlogG= -0.003577 logG= -0.008439 logGD-logG0= -0.009773 tlogG= -0.006659 logG= -0.016432 Density= 0.147412 ETOT(band)= 0.008747 trlgG= -0.011030 logG= -0.016432 TDE= -0.136088 Density= 0.074770 ETOT(band)= 0.005075 trlgG= -0.005014 logG= -0.008439 TDE= -0.068342 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003175 tlogG= -0.002539 logG= -0.005714 Density= 0.045356 ETOT(band)= -0.000301 trlgG= -0.006970 logG= -0.005714 TDE= -0.044790 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003129 tlogG= -0.002614 logG= -0.005743 Density= 0.045869 ETOT(band)= 0.000623 trlgG= -0.005922 logG= -0.005743 TDE= -0.044206 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009537 tlogG= -0.007493 logG= -0.017030 Density= 0.136692 ETOT(band)= -0.000570 trlgG= -0.020500 logG= -0.017030 TDE= -0.134670 logGD-logG0= -0.003157 tlogG= -0.002565 logG= -0.005722 Density= 0.045593 ETOT(band)= 0.000112 trlgG= -0.006491 logG= -0.005722 TDE= -0.044531 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009530 tlogG= -0.007405 logG= -0.016935 Density= 0.136559 ETOT(band)= -0.000517 trlgG= -0.020368 logG= -0.016935 TDE= -0.134506 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009459 tlogG= -0.007399 logG= -0.016857 Density= 0.137283 ETOT(band)= 0.001189 trlgG= -0.018306 logG= -0.016857 TDE= -0.133216 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009514 tlogG= -0.007331 logG= -0.016846 Density= 0.136605 ETOT(band)= -0.000126 trlgG= -0.019855 logG= -0.016846 TDE= -0.134126 logGD-logG0= -0.009777 tlogG= -0.007582 logG= -0.017359 Density= 0.149003 ETOT(band)= 0.010975 trlgG= -0.009778 logG= -0.017359 TDE= -0.135436 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009812 tlogG= -0.006545 logG= -0.016356 logGD-logG0= -0.009546 tlogG= -0.006692 logG= -0.016238 Density= 0.142595 ETOT(band)= 0.004581 trlgG= -0.014932 logG= -0.016356 TDE= -0.135442 Density= 0.137837 ETOT(band)= 0.000838 trlgG= -0.018420 logG= -0.016238 TDE= -0.134481 logGD-logG0= -0.009839 tlogG= -0.007170 logG= -0.017009 Density= 0.147752 ETOT(band)= 0.009451 trlgG= -0.010933 logG= -0.017009 TDE= -0.135741 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009642 tlogG= -0.006391 logG= -0.016033 Density= 0.140249 ETOT(band)= 0.003507 trlgG= -0.015423 logG= -0.016033 TDE= -0.134005 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009519 tlogG= -0.006560 logG= -0.016079 Density= 0.137602 ETOT(band)= 0.001100 trlgG= -0.017942 logG= -0.016079 TDE= -0.133937 logGD-logG0= -0.009602 tlogG= -0.005975 logG= -0.015577 Density= 0.137997 ETOT(band)= 0.001113 trlgG= -0.017478 logG= -0.015577 TDE= -0.134354 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004819 tlogG= -0.003116 logG= -0.007935 Density= 0.067543 ETOT(band)= -0.001198 trlgG= -0.010600 logG= -0.007935 TDE= -0.067495 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009488 tlogG= -0.006851 logG= -0.016339 Density= 0.138984 ETOT(band)= 0.003083 trlgG= -0.015925 logG= -0.016339 TDE= -0.132987 logGD-logG0= -0.009493 tlogG= -0.007363 logG= -0.016857 Density= 0.136838 ETOT(band)= 0.000285 trlgG= -0.019370 logG= -0.016857 TDE= -0.133854 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009628 tlogG= -0.005668 logG= -0.015296 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.133779 ETOT(band)= -0.002908 trlgG= -0.021093 logG= -0.015296 TDE= -0.134201 logGD-logG0= -0.009556 tlogG= -0.006663 logG= -0.016219 Density= 0.137778 ETOT(band)= 0.000860 trlgG= -0.018413 logG= -0.016219 TDE= -0.134436 logGD-logG0= -0.009619 tlogG= -0.006173 logG= -0.015792 Density= 0.138580 ETOT(band)= 0.001665 trlgG= -0.017066 logG= -0.015792 TDE= -0.134287 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009539 tlogG= -0.006889 logG= -0.016428 Density= 0.137443 ETOT(band)= 0.000377 trlgG= -0.019084 logG= -0.016428 TDE= -0.134576 logGD-logG0= -0.009713 tlogG= -0.006605 logG= -0.016318 Density= 0.143604 ETOT(band)= 0.007046 trlgG= -0.012263 logG= -0.016318 TDE= -0.133780 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009542 tlogG= -0.006876 logG= -0.016418 logGD-logG0= -0.004831 tlogG= -0.002591 logG= -0.007421 Density= 0.065489 ETOT(band)= -0.002487 trlgG= -0.011234 logG= -0.007421 TDE= -0.066671 Density= 0.138416 ETOT(band)= 0.001792 trlgG= -0.017426 logG= -0.016418 TDE= -0.133864 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009648 tlogG= -0.006055 logG= -0.015703 Density= 0.135739 ETOT(band)= -0.001409 trlgG= -0.020059 logG= -0.015703 TDE= -0.134642 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009581 tlogG= -0.005650 logG= -0.015232 Density= 0.136831 ETOT(band)= 0.000481 trlgG= -0.017761 logG= -0.015232 TDE= -0.133862 logGD-logG0= -0.019676 tlogG= -0.012838 logG= -0.032514 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.285431 ETOT(band)= 0.008888 trlgG= -0.030049 logG= -0.032514 TDE= -0.271499 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019280 tlogG= -0.010916 logG= -0.030196 Density= 0.271353 ETOT(band)= -0.001807 trlgG= -0.037957 logG= -0.030196 TDE= -0.268211 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019194 tlogG= -0.012181 logG= -0.031375 Density= 0.278164 ETOT(band)= 0.004310 trlgG= -0.033234 logG= -0.031375 TDE= -0.268847 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009858 tlogG= -0.006554 logG= -0.016412 Density= 0.143301 ETOT(band)= 0.004743 trlgG= -0.014932 logG= -0.016412 TDE= -0.136064 logGD-logG0= -0.019176 tlogG= -0.012029 logG= -0.031206 Density= 0.277834 ETOT(band)= 0.004280 trlgG= -0.033052 logG= -0.031206 TDE= -0.268518 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019176 tlogG= -0.012330 logG= -0.031505 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.277960 ETOT(band)= 0.004698 trlgG= -0.032772 logG= -0.031505 TDE= -0.268060 logGD-logG0= -0.000390 tlogG= 0.008629 logG= 0.008238 logGD-logG0= -0.019068 tlogG= -0.013779 logG= -0.032846 logGD-logG0= -0.009735 tlogG= -0.004908 logG= -0.014643 Density= 0.131215 ETOT(band)= -0.004801 trlgG= -0.022236 logG= -0.014643 TDE= -0.133537 Density= 0.275058 ETOT(band)= 0.001387 trlgG= -0.037394 logG= -0.032846 TDE= -0.268555 Density= 0.005716 ETOT(band)= 0.000069 trlgG= 0.008200 logG= 0.008238 TDE= -0.005524 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019301 tlogG= -0.011527 logG= -0.030828 Density= 0.275199 ETOT(band)= 0.001366 trlgG= -0.035389 logG= -0.030828 TDE= -0.268704 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019433 tlogG= -0.012128 logG= -0.031561 Density= 0.281431 ETOT(band)= 0.007207 trlgG= -0.030508 logG= -0.031561 TDE= -0.269071 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019718 tlogG= -0.012819 logG= -0.032538 Density= 0.290012 ETOT(band)= 0.015623 trlgG= -0.023212 logG= -0.032538 TDE= -0.269034 logGD-logG0= -0.019107 tlogG= -0.012418 logG= -0.031525 Density= 0.278807 ETOT(band)= 0.006696 trlgG= -0.030562 logG= -0.031525 TDE= -0.266643 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018999 tlogG= -0.013824 logG= -0.032823 logGD-logG0= -0.019370 tlogG= -0.010247 logG= -0.029617 Density= 0.275719 ETOT(band)= 0.003212 trlgG= -0.035151 logG= -0.032823 TDE= -0.266969 Density= 0.264567 ETOT(band)= -0.007493 trlgG= -0.042770 logG= -0.029617 TDE= -0.267091 logGD-logG0= -0.019101 tlogG= -0.011707 logG= -0.030808 Density= 0.276429 ETOT(band)= 0.004195 trlgG= -0.032543 logG= -0.030808 TDE= -0.267058 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019395 tlogG= -0.010523 logG= -0.029917 logGD-logG0= -0.019321 tlogG= -0.011759 logG= -0.031080 Density= 0.269973 ETOT(band)= -0.004360 trlgG= -0.041350 logG= -0.031080 TDE= -0.269396 Density= 0.278201 ETOT(band)= 0.005078 trlgG= -0.030855 logG= -0.029917 TDE= -0.267962 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009722 tlogG= -0.005232 logG= -0.014954 Density= 0.139995 ETOT(band)= 0.003134 trlgG= -0.014885 logG= -0.014954 TDE= -0.134301 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019536 tlogG= -0.011980 logG= -0.031516 Density= 0.280254 ETOT(band)= 0.004763 trlgG= -0.033002 logG= -0.031516 TDE= -0.270480 logGD-logG0= -0.019474 tlogG= -0.011214 logG= -0.030689 logGD-logG0= -0.009655 tlogG= -0.005495 logG= -0.015150 Density= 0.133146 ETOT(band)= -0.003495 trlgG= -0.021474 logG= -0.015150 TDE= -0.134120 Density= 0.278251 ETOT(band)= 0.004149 trlgG= -0.032608 logG= -0.030689 TDE= -0.268991 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019416 tlogG= -0.010162 logG= -0.029579 Density= 0.267411 ETOT(band)= -0.005532 trlgG= -0.040815 logG= -0.029579 TDE= -0.267904 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009876 tlogG= -0.006009 logG= -0.015885 logGD-logG0= -0.019328 tlogG= -0.010603 logG= -0.029931 Density= 0.275015 ETOT(band)= 0.002885 trlgG= -0.032948 logG= -0.029931 TDE= -0.266983 Density= 0.144230 ETOT(band)= 0.006816 trlgG= -0.012210 logG= -0.015885 TDE= -0.134760 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019369 tlogG= -0.010686 logG= -0.030055 Density= 0.272274 ETOT(band)= -0.001496 trlgG= -0.037347 logG= -0.030055 TDE= -0.268627 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009673 tlogG= -0.005534 logG= -0.015207 Density= 0.135776 ETOT(band)= -0.001211 trlgG= -0.019217 logG= -0.015207 TDE= -0.134331 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009681 tlogG= -0.005309 logG= -0.014990 Density= 0.136845 ETOT(band)= 0.000016 trlgG= -0.017823 logG= -0.014990 TDE= -0.134181 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009662 tlogG= -0.005173 logG= -0.014834 Density= 0.136335 ETOT(band)= -0.000368 trlgG= -0.017958 logG= -0.014834 TDE= -0.133981 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004839 tlogG= -0.002671 logG= -0.007510 Density= 0.068584 ETOT(band)= 0.000109 trlgG= -0.008874 logG= -0.007510 TDE= -0.067192 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002458 tlogG= -0.001876 logG= -0.004334 Density= 0.037014 ETOT(band)= 0.002705 trlgG= -0.002441 logG= -0.004334 TDE= -0.033635 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002355 tlogG= -0.002354 logG= -0.004709 Density= 0.034880 ETOT(band)= 0.000979 trlgG= -0.004388 logG= -0.004709 TDE= -0.033157 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009465 tlogG= -0.007787 logG= -0.017252 Density= 0.138559 ETOT(band)= 0.003028 trlgG= -0.016673 logG= -0.017252 TDE= -0.132414 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009478 tlogG= -0.008467 logG= -0.017944 logGD-logG0= -0.009413 tlogG= -0.008851 logG= -0.018264 Density= 0.139431 ETOT(band)= 0.003853 trlgG= -0.016922 logG= -0.018264 TDE= -0.132487 Density= 0.140887 ETOT(band)= 0.005234 trlgG= -0.015361 logG= -0.017944 TDE= -0.132644 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009511 tlogG= -0.007442 logG= -0.016953 Density= 0.137530 ETOT(band)= 0.001749 trlgG= -0.017800 logG= -0.016953 TDE= -0.132852 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009530 tlogG= -0.007361 logG= -0.016891 Density= 0.141011 ETOT(band)= 0.005425 trlgG= -0.014202 logG= -0.016891 TDE= -0.132657 logGD-logG0= -0.009767 tlogG= -0.007213 logG= -0.016980 Density= 0.145040 ETOT(band)= 0.008721 trlgG= -0.011160 logG= -0.016980 TDE= -0.133393 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002403 tlogG= -0.001978 logG= -0.004381 Density= 0.035825 ETOT(band)= 0.001829 trlgG= -0.003236 logG= -0.004381 TDE= -0.033240 logGD-logG0= -0.004724 tlogG= -0.004038 logG= -0.008762 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009446 tlogG= -0.008015 logG= -0.017461 Density= 0.138829 ETOT(band)= 0.003412 trlgG= -0.016551 logG= -0.017461 TDE= -0.132341 Density= 0.069944 ETOT(band)= 0.002231 trlgG= -0.007811 logG= -0.008762 TDE= -0.066184 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009519 tlogG= -0.006920 logG= -0.016439 Density= 0.139342 ETOT(band)= 0.004076 trlgG= -0.015009 logG= -0.016439 TDE= -0.132314 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009570 tlogG= -0.006388 logG= -0.015958 Density= 0.137381 ETOT(band)= 0.001795 trlgG= -0.017050 logG= -0.015958 TDE= -0.132954 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009683 tlogG= -0.005360 logG= -0.015043 Density= 0.134100 ETOT(band)= -0.001405 trlgG= -0.019318 logG= -0.015043 TDE= -0.132987 logGD-logG0= -0.018937 tlogG= -0.015831 logG= -0.034767 Density= 0.280427 ETOT(band)= 0.009438 trlgG= -0.030483 logG= -0.034767 TDE= -0.264876 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009412 tlogG= -0.009081 logG= -0.018492 Density= 0.139625 ETOT(band)= 0.004043 trlgG= -0.017028 logG= -0.018492 TDE= -0.132551 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009719 tlogG= -0.005042 logG= -0.014761 Density= 0.130955 ETOT(band)= -0.004341 trlgG= -0.021880 logG= -0.014761 TDE= -0.132813 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019280 tlogG= -0.013302 logG= -0.032582 Density= 0.284792 ETOT(band)= 0.013133 trlgG= -0.025290 logG= -0.032582 TDE= -0.266059 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009575 tlogG= -0.007562 logG= -0.017137 Density= 0.142536 ETOT(band)= 0.006761 trlgG= -0.013116 logG= -0.017137 TDE= -0.132789 logGD-logG0= -0.019050 tlogG= -0.014048 logG= -0.033098 Density= 0.277511 ETOT(band)= 0.006516 trlgG= -0.031784 logG= -0.033098 TDE= -0.265048 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004817 tlogG= -0.002841 logG= -0.007658 Density= 0.068511 ETOT(band)= 0.000974 trlgG= -0.008104 logG= -0.007658 TDE= -0.066204 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009882 tlogG= -0.006753 logG= -0.016636 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.145991 ETOT(band)= 0.009252 trlgG= -0.010601 logG= -0.016636 TDE= -0.134091 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009746 tlogG= -0.005727 logG= -0.015473 Density= 0.141560 ETOT(band)= 0.005667 trlgG= -0.012897 logG= -0.015473 TDE= -0.133297 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019220 tlogG= -0.011769 logG= -0.030989 Density= 0.276986 ETOT(band)= 0.006255 trlgG= -0.030520 logG= -0.030989 TDE= -0.265389 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009554 tlogG= -0.006701 logG= -0.016255 Density= 0.140828 ETOT(band)= 0.005490 trlgG= -0.013608 logG= -0.016255 TDE= -0.132523 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003138 tlogG= 0.069442 logG= 0.066303 Density= 0.046205 ETOT(band)= 0.001007 trlgG= 0.066468 logG= 0.066303 TDE= -0.044184 logGD-logG0= -0.003158 tlogG= 0.069840 logG= 0.066682 Density= 0.046278 ETOT(band)= 0.001109 trlgG= 0.066963 logG= 0.066682 TDE= -0.044137 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002346 tlogG= 0.051887 logG= 0.049541 Density= 0.034449 ETOT(band)= 0.000560 trlgG= 0.049457 logG= 0.049541 TDE= -0.033149 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009408 tlogG= 0.208344 logG= 0.198935 Density= 0.138582 ETOT(band)= 0.003049 trlgG= 0.199373 logG= 0.198935 TDE= -0.132577 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004696 tlogG= 0.103990 logG= 0.099295 Density= 0.069145 ETOT(band)= 0.001356 trlgG= 0.099372 logG= 0.099295 TDE= -0.066290 logGD-logG0= -0.003128 tlogG= 0.069157 logG= 0.066029 Density= 0.045847 ETOT(band)= 0.000678 trlgG= 0.065840 logG= 0.066029 TDE= -0.044194 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009446 tlogG= 0.209044 logG= 0.199598 Density= 0.139096 ETOT(band)= 0.003587 trlgG= 0.200607 logG= 0.199598 TDE= -0.132499 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.78665918138432 eV TrLogG= -13.9283381157239 eV Ratio to renormalize= 0.999999999725 rho-rho_expected= 0.000000004393 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 98) Finished k-point number 99 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 56) Finished k-point number 57 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 45) Finished k-point number 46 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 43) Finished k-point number 44 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 76) Finished k-point number 77 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 88) Finished k-point number 89 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 93) Finished k-point number 94 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 91) Finished k-point number 92 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.930986647726090 0.927582167498361 56) Finished k-point number 57 1 with #bands= 18 7) Finished k-point number 8 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 13) Finished k-point number 14 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0590724696943 Density= 15.9983239260183 16.0000000000000 EF 13.3311863018079 Density= 16.5006260291048 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97982421 0.95982421 0.500626 -0.167607E-02 1 0.96982421 0.95982423 0.257563 -0.167607E-02 2 0.96482422 0.95982446 0.130514 -0.167607E-02 3 0.96232434 0.95982410 0.652100E-01 -0.167607E-02 4 0.96107422 0.95982428 0.319866E-01 -0.167607E-02 5 0.96044925 0.95982443 0.152146E-01 -0.167607E-02 6 0.96013684 0.95982412 0.678726E-02 -0.167607E-02 7 0.95998048 0.95982451 0.255815E-02 -0.167607E-02 8 0.95990249 0.95982455 0.446101E-03 -0.167607E-02 9 0.95988608 0.95982455 0.127640E-05 -0.167607E-02 10 0.95988603 0.95982455 0.149102E-08 -0.167607E-02 11 0.95988603 0.95988603 -0.121904E-08 0.149102E-08 12 0.95988603 0.95988603 0.149102E-08 -0.121904E-08 13 0.95988603 0.95988603 0.149102E-08 -0.121904E-08 Absolute convergence of the X interval. Difference in EF= 0.0008411586 EF set to : 13.0599136283 new EF (no-mixing): 13.0599136283 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001220 tlogG= -0.001250 logG= -0.002470 Density= 0.018960 ETOT(band)= 0.001239 trlgG= -0.001647 logG= -0.002470 TDE= -0.017377 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009734 tlogG= -0.009543 logG= -0.019277 Density= 0.151577 ETOT(band)= 0.010162 trlgG= -0.012444 logG= -0.019277 TDE= -0.138664 logGD-logG0= -0.002432 tlogG= -0.002407 logG= -0.004838 Density= 0.037869 ETOT(band)= 0.002570 trlgG= -0.003103 logG= -0.004838 TDE= -0.034615 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004863 tlogG= -0.004624 logG= -0.009487 Density= 0.075762 ETOT(band)= 0.005160 trlgG= -0.005992 logG= -0.009487 TDE= -0.069228 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002436 tlogG= -0.002083 logG= -0.004520 Density= 0.037425 ETOT(band)= 0.002609 trlgG= -0.002790 logG= -0.004520 TDE= -0.034194 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001591 tlogG= -0.001322 logG= -0.002913 Density= 0.022767 ETOT(band)= -0.000148 trlgG= -0.003518 logG= -0.002913 TDE= -0.022459 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009775 tlogG= -0.008817 logG= -0.018592 Density= 0.151095 ETOT(band)= 0.010620 trlgG= -0.011392 logG= -0.018592 TDE= -0.137834 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009735 tlogG= -0.007820 logG= -0.017555 Density= 0.149864 ETOT(band)= 0.011016 trlgG= -0.009948 logG= -0.017555 TDE= -0.136246 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009765 tlogG= -0.008685 logG= -0.018449 Density= 0.150651 ETOT(band)= 0.010632 trlgG= -0.011279 logG= -0.018449 TDE= -0.137437 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019520 tlogG= -0.015935 logG= -0.035455 Density= 0.301056 ETOT(band)= 0.021028 trlgG= -0.021320 logG= -0.035455 TDE= -0.274843 logGD-logG0= -0.019497 tlogG= -0.014816 logG= -0.034313 Density= 0.299190 ETOT(band)= 0.021240 trlgG= -0.019772 logG= -0.034313 TDE= -0.272647 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009773 tlogG= -0.006659 logG= -0.016433 Density= 0.147410 ETOT(band)= 0.008753 trlgG= -0.011025 logG= -0.016433 TDE= -0.136090 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003175 tlogG= -0.002539 logG= -0.005714 Density= 0.045355 ETOT(band)= -0.000299 trlgG= -0.006969 logG= -0.005714 TDE= -0.044790 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009761 tlogG= -0.008079 logG= -0.017839 Density= 0.150458 ETOT(band)= 0.010559 trlgG= -0.010724 logG= -0.017839 TDE= -0.137307 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004883 tlogG= -0.004202 logG= -0.009085 Density= 0.075422 ETOT(band)= 0.005194 trlgG= -0.005621 logG= -0.009085 TDE= -0.068932 logGD-logG0= -0.003128 tlogG= -0.002614 logG= -0.005743 Density= 0.045868 ETOT(band)= 0.000625 trlgG= -0.005920 logG= -0.005743 TDE= -0.044206 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009538 tlogG= -0.007494 logG= -0.017032 Density= 0.136688 ETOT(band)= -0.000564 trlgG= -0.020498 logG= -0.017032 TDE= -0.134671 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003157 tlogG= -0.002565 logG= -0.005722 Density= 0.045592 ETOT(band)= 0.000113 trlgG= -0.006490 logG= -0.005722 TDE= -0.044531 logGD-logG0= -0.009530 tlogG= -0.007405 logG= -0.016935 Density= 0.136556 ETOT(band)= -0.000512 trlgG= -0.020363 logG= -0.016935 TDE= -0.134507 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009780 tlogG= -0.006707 logG= -0.016487 Density= 0.144079 ETOT(band)= 0.005370 trlgG= -0.014397 logG= -0.016487 TDE= -0.136210 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009515 tlogG= -0.007332 logG= -0.016846 Density= 0.136602 ETOT(band)= -0.000120 trlgG= -0.019852 logG= -0.016846 TDE= -0.134127 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009547 tlogG= -0.006693 logG= -0.016240 Density= 0.137835 ETOT(band)= 0.000845 trlgG= -0.018416 logG= -0.016240 TDE= -0.134482 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009556 tlogG= -0.006660 logG= -0.016216 Density= 0.137778 ETOT(band)= 0.000869 trlgG= -0.018402 logG= -0.016216 TDE= -0.134438 logGD-logG0= -0.009493 tlogG= -0.007363 logG= -0.016855 Density= 0.136835 ETOT(band)= 0.000289 trlgG= -0.019364 logG= -0.016855 TDE= -0.133855 logGD-logG0= -0.009602 tlogG= -0.005973 logG= -0.015575 logGD-logG0= -0.009778 tlogG= -0.007583 logG= -0.017361 Density= 0.149000 ETOT(band)= 0.010980 trlgG= -0.009776 logG= -0.017361 TDE= -0.135438 Density= 0.137998 ETOT(band)= 0.001122 trlgG= -0.017468 logG= -0.015575 TDE= -0.134355 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009813 tlogG= -0.006544 logG= -0.016357 Density= 0.142602 ETOT(band)= 0.004595 trlgG= -0.014919 logG= -0.016357 TDE= -0.135444 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009643 tlogG= -0.006392 logG= -0.016035 Density= 0.140252 ETOT(band)= 0.003518 trlgG= -0.015415 logG= -0.016035 TDE= -0.134006 logGD-logG0= -0.009458 tlogG= -0.007396 logG= -0.016854 Density= 0.137280 ETOT(band)= 0.001194 trlgG= -0.018297 logG= -0.016854 TDE= -0.133217 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004862 tlogG= -0.003577 logG= -0.008439 Density= 0.074768 ETOT(band)= 0.005078 trlgG= -0.005013 logG= -0.008439 TDE= -0.068343 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009583 tlogG= -0.005653 logG= -0.015235 Density= 0.136832 ETOT(band)= 0.000491 trlgG= -0.017756 logG= -0.015235 TDE= -0.133864 logGD-logG0= -0.009518 tlogG= -0.006560 logG= -0.016079 Density= 0.137599 ETOT(band)= 0.001104 trlgG= -0.017937 logG= -0.016079 TDE= -0.133938 logGD-logG0= -0.009543 tlogG= -0.006876 logG= -0.016418 Density= 0.138415 ETOT(band)= 0.001800 trlgG= -0.017421 logG= -0.016418 TDE= -0.133865 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009619 tlogG= -0.006173 logG= -0.015792 Density= 0.138581 ETOT(band)= 0.001673 trlgG= -0.017058 logG= -0.015792 TDE= -0.134288 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009647 tlogG= -0.006054 logG= -0.015702 Density= 0.135736 ETOT(band)= -0.001403 trlgG= -0.020053 logG= -0.015702 TDE= -0.134643 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009858 tlogG= -0.006554 logG= -0.016412 Density= 0.143308 ETOT(band)= 0.004757 trlgG= -0.014919 logG= -0.016412 TDE= -0.136066 logGD-logG0= -0.019678 tlogG= -0.012836 logG= -0.032514 Density= 0.285459 ETOT(band)= 0.008931 trlgG= -0.030008 logG= -0.032514 TDE= -0.271502 logGD-logG0= -0.019195 tlogG= -0.012180 logG= -0.031375 Density= 0.278166 ETOT(band)= 0.004328 trlgG= -0.033218 logG= -0.031375 TDE= -0.268850 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019070 tlogG= -0.013772 logG= -0.032842 Density= 0.275056 ETOT(band)= 0.001403 trlgG= -0.037377 logG= -0.032842 TDE= -0.268558 logGD-logG0= -0.019281 tlogG= -0.010921 logG= -0.030202 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019175 tlogG= -0.012330 logG= -0.031506 Density= 0.277960 ETOT(band)= 0.004713 trlgG= -0.032759 logG= -0.031506 TDE= -0.268063 Density= 0.271375 ETOT(band)= -0.001768 trlgG= -0.037927 logG= -0.030202 TDE= -0.268214 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019176 tlogG= -0.012029 logG= -0.031205 Density= 0.277832 ETOT(band)= 0.004292 trlgG= -0.033039 logG= -0.031205 TDE= -0.268521 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019107 tlogG= -0.012418 logG= -0.031525 Density= 0.278806 ETOT(band)= 0.006711 trlgG= -0.030548 logG= -0.031525 TDE= -0.266646 logGD-logG0= -0.000390 tlogG= 0.008629 logG= 0.008239 Density= 0.005716 ETOT(band)= 0.000069 trlgG= 0.008201 logG= 0.008239 TDE= -0.005524 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019719 tlogG= -0.012820 logG= -0.032540 Density= 0.290013 ETOT(band)= 0.015641 trlgG= -0.023198 logG= -0.032540 TDE= -0.269038 logGD-logG0= -0.019320 tlogG= -0.011756 logG= -0.031076 logGD-logG0= -0.019434 tlogG= -0.012127 logG= -0.031561 Density= 0.269963 ETOT(band)= -0.004354 trlgG= -0.041341 logG= -0.031076 TDE= -0.269399 Density= 0.281438 ETOT(band)= 0.007229 trlgG= -0.030487 logG= -0.031561 TDE= -0.269075 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019394 tlogG= -0.010524 logG= -0.029918 Density= 0.278222 ETOT(band)= 0.005113 trlgG= -0.030821 logG= -0.029918 TDE= -0.267965 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019301 tlogG= -0.011525 logG= -0.030827 Density= 0.275202 ETOT(band)= 0.001386 trlgG= -0.035371 logG= -0.030827 TDE= -0.268707 logGD-logG0= -0.009656 tlogG= -0.005496 logG= -0.015152 Density= 0.133141 ETOT(band)= -0.003490 trlgG= -0.021473 logG= -0.015152 TDE= -0.134121 logGD-logG0= -0.019100 tlogG= -0.011709 logG= -0.030809 Density= 0.276424 ETOT(band)= 0.004205 trlgG= -0.032534 logG= -0.030809 TDE= -0.267061 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018999 tlogG= -0.013829 logG= -0.032828 Density= 0.275712 ETOT(band)= 0.003221 trlgG= -0.035148 logG= -0.032828 TDE= -0.266972 logGD-logG0= -0.009722 tlogG= -0.005232 logG= -0.014954 Density= 0.139996 ETOT(band)= 0.003142 trlgG= -0.014876 logG= -0.014954 TDE= -0.134302 logGD-logG0= -0.019538 tlogG= -0.011983 logG= -0.031521 logGD-logG0= -0.009733 tlogG= -0.004903 logG= -0.014635 Density= 0.131224 ETOT(band)= -0.004787 trlgG= -0.022214 logG= -0.014635 TDE= -0.133538 Density= 0.280269 ETOT(band)= 0.004792 trlgG= -0.032979 logG= -0.031521 TDE= -0.270484 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009539 tlogG= -0.006888 logG= -0.016427 Density= 0.137441 ETOT(band)= 0.000384 trlgG= -0.019077 logG= -0.016427 TDE= -0.134578 logGD-logG0= -0.019475 tlogG= -0.011212 logG= -0.030687 Density= 0.278267 ETOT(band)= 0.004180 trlgG= -0.032576 logG= -0.030687 TDE= -0.268994 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019329 tlogG= -0.010604 logG= -0.029933 Density= 0.275045 ETOT(band)= 0.002930 trlgG= -0.032907 logG= -0.029933 TDE= -0.266986 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009876 tlogG= -0.006010 logG= -0.015885 Density= 0.144233 ETOT(band)= 0.006827 trlgG= -0.012201 logG= -0.015885 TDE= -0.134762 logGD-logG0= -0.019371 tlogG= -0.010683 logG= -0.030053 Density= 0.272258 ETOT(band)= -0.001495 trlgG= -0.037347 logG= -0.030053 TDE= -0.268630 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019416 tlogG= -0.010159 logG= -0.029574 logGD-logG0= -0.004831 tlogG= -0.002590 logG= -0.007421 Density= 0.267403 ETOT(band)= -0.005525 trlgG= -0.040804 logG= -0.029574 TDE= -0.267906 Density= 0.065490 ETOT(band)= -0.002483 trlgG= -0.011230 logG= -0.007421 TDE= -0.066671 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009681 tlogG= -0.005309 logG= -0.014990 Density= 0.136846 ETOT(band)= 0.000025 trlgG= -0.017815 logG= -0.014990 TDE= -0.134182 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004820 tlogG= -0.003115 logG= -0.007935 Density= 0.067538 ETOT(band)= -0.001199 trlgG= -0.010601 logG= -0.007935 TDE= -0.067495 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009671 tlogG= -0.005530 logG= -0.015201 Density= 0.135775 ETOT(band)= -0.001206 trlgG= -0.019205 logG= -0.015201 TDE= -0.134332 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009839 tlogG= -0.007171 logG= -0.017010 Density= 0.147746 ETOT(band)= 0.009453 trlgG= -0.010933 logG= -0.017010 TDE= -0.135743 logGD-logG0= -0.009712 tlogG= -0.006606 logG= -0.016318 Density= 0.143598 ETOT(band)= 0.007048 trlgG= -0.012262 logG= -0.016318 TDE= -0.133781 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009629 tlogG= -0.005666 logG= -0.015295 Density= 0.133775 ETOT(band)= -0.002903 trlgG= -0.021088 logG= -0.015295 TDE= -0.134202 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009488 tlogG= -0.006851 logG= -0.016340 Density= 0.138983 ETOT(band)= 0.003089 trlgG= -0.015920 logG= -0.016340 TDE= -0.132988 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009413 tlogG= -0.008851 logG= -0.018264 Density= 0.139429 ETOT(band)= 0.003860 trlgG= -0.016916 logG= -0.018264 TDE= -0.132488 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004839 tlogG= -0.002671 logG= -0.007510 Density= 0.068584 ETOT(band)= 0.000112 trlgG= -0.008871 logG= -0.007510 TDE= -0.067193 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002458 tlogG= -0.001876 logG= -0.004334 Density= 0.037014 ETOT(band)= 0.002706 trlgG= -0.002440 logG= -0.004334 TDE= -0.033635 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009512 tlogG= -0.007442 logG= -0.016954 Density= 0.137528 ETOT(band)= 0.001755 trlgG= -0.017796 logG= -0.016954 TDE= -0.132853 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009446 tlogG= -0.008015 logG= -0.017461 Density= 0.138827 ETOT(band)= 0.003418 trlgG= -0.016545 logG= -0.017461 TDE= -0.132342 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009530 tlogG= -0.007361 logG= -0.016891 Density= 0.141012 ETOT(band)= 0.005433 trlgG= -0.014195 logG= -0.016891 TDE= -0.132659 logGD-logG0= -0.009465 tlogG= -0.007786 logG= -0.017251 Density= 0.138557 ETOT(band)= 0.003035 trlgG= -0.016667 logG= -0.017251 TDE= -0.132415 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009683 tlogG= -0.005360 logG= -0.015043 Density= 0.134109 ETOT(band)= -0.001389 trlgG= -0.019303 logG= -0.015043 TDE= -0.132988 logGD-logG0= -0.002403 tlogG= -0.001978 logG= -0.004381 Density= 0.035825 ETOT(band)= 0.001832 trlgG= -0.003234 logG= -0.004381 TDE= -0.033241 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002355 tlogG= -0.002354 logG= -0.004709 Density= 0.034879 ETOT(band)= 0.000981 trlgG= -0.004386 logG= -0.004709 TDE= -0.033158 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009575 tlogG= -0.007562 logG= -0.017137 Density= 0.142537 ETOT(band)= 0.006770 trlgG= -0.013108 logG= -0.017137 TDE= -0.132790 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019280 tlogG= -0.013303 logG= -0.032583 Density= 0.284795 ETOT(band)= 0.013153 trlgG= -0.025274 logG= -0.032583 TDE= -0.266062 logGD-logG0= -0.009882 tlogG= -0.006754 logG= -0.016636 Density= 0.145991 ETOT(band)= 0.009260 trlgG= -0.010594 logG= -0.016636 TDE= -0.134093 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019370 tlogG= -0.010248 logG= -0.029619 Density= 0.264576 ETOT(band)= -0.007469 trlgG= -0.042749 logG= -0.029619 TDE= -0.267093 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009746 tlogG= -0.005727 logG= -0.015473 Density= 0.141564 ETOT(band)= 0.005679 trlgG= -0.012886 logG= -0.015473 TDE= -0.133299 logGD-logG0= -0.009555 tlogG= -0.006701 logG= -0.016256 Density= 0.140827 ETOT(band)= 0.005498 trlgG= -0.013602 logG= -0.016256 TDE= -0.132524 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019217 tlogG= -0.011760 logG= -0.030976 Density= 0.276965 ETOT(band)= 0.006247 trlgG= -0.030512 logG= -0.030976 TDE= -0.265391 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009478 tlogG= -0.008467 logG= -0.017945 Density= 0.140887 ETOT(band)= 0.005243 trlgG= -0.015355 logG= -0.017945 TDE= -0.132645 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009520 tlogG= -0.006922 logG= -0.016441 Density= 0.139340 ETOT(band)= 0.004082 trlgG= -0.015006 logG= -0.016441 TDE= -0.132315 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009661 tlogG= -0.005172 logG= -0.014834 Density= 0.136336 ETOT(band)= -0.000359 trlgG= -0.017949 logG= -0.014834 TDE= -0.133983 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004724 tlogG= -0.004038 logG= -0.008762 Density= 0.069944 ETOT(band)= 0.002235 trlgG= -0.007809 logG= -0.008762 TDE= -0.066184 logGD-logG0= -0.009767 tlogG= -0.007213 logG= -0.016980 Density= 0.145041 ETOT(band)= 0.008730 trlgG= -0.011152 logG= -0.016980 TDE= -0.133395 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003128 tlogG= 0.069162 logG= 0.066034 Density= 0.045846 ETOT(band)= 0.000680 trlgG= 0.065847 logG= 0.066034 TDE= -0.044194 logGD-logG0= -0.003158 tlogG= 0.069845 logG= 0.066687 Density= 0.046277 ETOT(band)= 0.001111 trlgG= 0.066970 logG= 0.066687 TDE= -0.044138 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003138 tlogG= 0.069446 logG= 0.066308 Density= 0.046204 ETOT(band)= 0.001009 trlgG= 0.066474 logG= 0.066308 TDE= -0.044185 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002346 tlogG= 0.051891 logG= 0.049544 Density= 0.034449 ETOT(band)= 0.000561 trlgG= 0.049462 logG= 0.049544 TDE= -0.033149 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009570 tlogG= -0.006388 logG= -0.015958 Density= 0.137377 ETOT(band)= 0.001800 trlgG= -0.017047 logG= -0.015958 TDE= -0.132955 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004817 tlogG= -0.002841 logG= -0.007659 Density= 0.068509 ETOT(band)= 0.000977 trlgG= -0.008102 logG= -0.007659 TDE= -0.066204 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009412 tlogG= -0.009081 logG= -0.018492 Density= 0.139624 ETOT(band)= 0.004050 trlgG= -0.017022 logG= -0.018492 TDE= -0.132552 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009409 tlogG= 0.208357 logG= 0.198949 Density= 0.138580 ETOT(band)= 0.003055 trlgG= 0.199392 logG= 0.198949 TDE= -0.132578 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004696 tlogG= 0.103997 logG= 0.099301 Density= 0.069144 ETOT(band)= 0.001359 trlgG= 0.099381 logG= 0.099301 TDE= -0.066291 logGD-logG0= -0.009446 tlogG= 0.209059 logG= 0.199613 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Density= 0.139094 ETOT(band)= 0.003593 trlgG= 0.200628 logG= 0.199613 TDE= -0.132500 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009720 tlogG= -0.005043 logG= -0.014763 Density= 0.130964 ETOT(band)= -0.004324 trlgG= -0.021866 logG= -0.014763 TDE= -0.132814 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019049 tlogG= -0.014053 logG= -0.033102 Density= 0.277506 ETOT(band)= 0.006526 trlgG= -0.031778 logG= -0.033102 TDE= -0.265051 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018937 tlogG= -0.015831 logG= -0.034768 Density= 0.280425 ETOT(band)= 0.009453 trlgG= -0.030470 logG= -0.034768 TDE= -0.264878 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Sum of eigenvalues= 4.79908001952136 eV TrLogG= -13.9165278466750 eV Ratio to renormalize= 0.999999999632 rho-rho_expected= 0.000000005882 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 96) Finished k-point number 97 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 58) Finished k-point number 59 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 72) Finished k-point number 73 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 79) Finished k-point number 80 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 91) Finished k-point number 92 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 93) Finished k-point number 94 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931089369817680 0.927666690165953 7) Finished k-point number 8 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 87) Finished k-point number 88 1 with #bands= 18 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 47) Finished k-point number 48 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 96) Finished k-point number 97 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 98) Finished k-point number 99 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0599136282822 Density= 16.0052113547938 16.0000000000000 EF 12.7877997961687 Density= 15.3867301916505 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95988603 0.93988603 0.521135E-02 -0.613270 1 0.95971751 0.93988603 0.653650E-03 -0.613270 2 0.95969337 0.95971751 -0.264682E-07 0.653650E-03 3 0.95969337 0.95969337 0.367351E-11 -0.264682E-07 Absolute convergence of |F(X)|. Difference in EF= -0.0026213138 EF set to : 13.0572923145 new EF (no-mixing): 13.0572923145 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001220 tlogG= -0.001250 logG= -0.002470 Density= 0.018962 ETOT(band)= 0.001238 trlgG= -0.001648 logG= -0.002470 TDE= -0.017376 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009733 tlogG= -0.009542 logG= -0.019275 Density= 0.151594 ETOT(band)= 0.010152 trlgG= -0.012448 logG= -0.019275 TDE= -0.138657 logGD-logG0= -0.002432 tlogG= -0.002406 logG= -0.004838 Density= 0.037873 ETOT(band)= 0.002568 trlgG= -0.003104 logG= -0.004838 TDE= -0.034613 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004862 tlogG= -0.004623 logG= -0.009486 Density= 0.075771 ETOT(band)= 0.005156 trlgG= -0.005994 logG= -0.009486 TDE= -0.069225 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002436 tlogG= -0.002083 logG= -0.004519 Density= 0.037430 ETOT(band)= 0.002609 trlgG= -0.002790 logG= -0.004519 TDE= -0.034192 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001591 tlogG= -0.001323 logG= -0.002913 Density= 0.022769 ETOT(band)= -0.000150 trlgG= -0.003521 logG= -0.002913 TDE= -0.022459 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009780 tlogG= -0.006706 logG= -0.016486 Density= 0.144058 ETOT(band)= 0.005325 trlgG= -0.014438 logG= -0.016486 TDE= -0.136203 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009764 tlogG= -0.008683 logG= -0.018447 Density= 0.150669 ETOT(band)= 0.010625 trlgG= -0.011281 logG= -0.018447 TDE= -0.137430 logGD-logG0= -0.009760 tlogG= -0.008078 logG= -0.017838 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.150478 ETOT(band)= 0.010554 trlgG= -0.010725 logG= -0.017838 TDE= -0.137300 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004883 tlogG= -0.004202 logG= -0.009085 Density= 0.075431 ETOT(band)= 0.005191 trlgG= -0.005622 logG= -0.009085 TDE= -0.068928 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019519 tlogG= -0.015931 logG= -0.035449 Density= 0.301092 ETOT(band)= 0.021013 trlgG= -0.021322 logG= -0.035449 TDE= -0.274829 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009734 tlogG= -0.007819 logG= -0.017553 Density= 0.149883 ETOT(band)= 0.011010 trlgG= -0.009951 logG= -0.017553 TDE= -0.136239 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009775 tlogG= -0.008816 logG= -0.018590 Density= 0.151113 ETOT(band)= 0.010612 trlgG= -0.011395 logG= -0.018590 TDE= -0.137827 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019496 tlogG= -0.014813 logG= -0.034309 Density= 0.299218 ETOT(band)= 0.021217 trlgG= -0.019785 logG= -0.034309 TDE= -0.272633 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004862 tlogG= -0.003577 logG= -0.008438 Density= 0.074775 ETOT(band)= 0.005072 trlgG= -0.005017 logG= -0.008438 TDE= -0.068340 100) Finished k-point 101 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009773 tlogG= -0.006658 logG= -0.016431 Density= 0.147419 ETOT(band)= 0.008738 trlgG= -0.011037 logG= -0.016431 TDE= -0.136083 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003175 tlogG= -0.002540 logG= -0.005715 Density= 0.045359 ETOT(band)= -0.000304 trlgG= -0.006973 logG= -0.005715 TDE= -0.044789 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003129 tlogG= -0.002615 logG= -0.005743 Density= 0.045871 ETOT(band)= 0.000619 trlgG= -0.005926 logG= -0.005743 TDE= -0.044205 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003157 tlogG= -0.002565 logG= -0.005722 Density= 0.045595 ETOT(band)= 0.000108 trlgG= -0.006495 logG= -0.005722 TDE= -0.044530 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009537 tlogG= -0.007492 logG= -0.017029 Density= 0.136698 ETOT(band)= -0.000581 trlgG= -0.020509 logG= -0.017029 TDE= -0.134668 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009529 tlogG= -0.007406 logG= -0.016935 Density= 0.136567 ETOT(band)= -0.000527 trlgG= -0.020375 logG= -0.016935 TDE= -0.134503 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009515 tlogG= -0.007331 logG= -0.016846 Density= 0.136611 ETOT(band)= -0.000137 trlgG= -0.019865 logG= -0.016846 TDE= -0.134124 logGD-logG0= -0.009777 tlogG= -0.007583 logG= -0.017360 Density= 0.149016 ETOT(band)= 0.010970 trlgG= -0.009781 logG= -0.017360 TDE= -0.135431 logGD-logG0= -0.009546 tlogG= -0.006695 logG= -0.016241 Density= 0.137841 ETOT(band)= 0.000825 trlgG= -0.018434 logG= -0.016241 TDE= -0.134477 logGD-logG0= -0.009839 tlogG= -0.007170 logG= -0.017008 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.147758 ETOT(band)= 0.009440 trlgG= -0.010942 logG= -0.017008 TDE= -0.135736 logGD-logG0= -0.009458 tlogG= -0.007393 logG= -0.016851 Density= 0.137288 ETOT(band)= 0.001176 trlgG= -0.018311 logG= -0.016851 TDE= -0.133214 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009519 tlogG= -0.006562 logG= -0.016080 logGD-logG0= -0.009494 tlogG= -0.007365 logG= -0.016859 Density= 0.136845 ETOT(band)= 0.000273 trlgG= -0.019382 logG= -0.016859 TDE= -0.133852 Density= 0.137605 ETOT(band)= 0.001085 trlgG= -0.017955 logG= -0.016080 TDE= -0.133934 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009556 tlogG= -0.006661 logG= -0.016217 Density= 0.137783 ETOT(band)= 0.000848 trlgG= -0.018421 logG= -0.016217 TDE= -0.134433 logGD-logG0= -0.009811 tlogG= -0.006546 logG= -0.016357 Density= 0.142584 ETOT(band)= 0.004553 trlgG= -0.014958 logG= -0.016357 TDE= -0.135438 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009642 tlogG= -0.006391 logG= -0.016033 Density= 0.140247 ETOT(band)= 0.003489 trlgG= -0.015440 logG= -0.016033 TDE= -0.134001 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004819 tlogG= -0.003116 logG= -0.007936 Density= 0.067544 ETOT(band)= -0.001206 trlgG= -0.010607 logG= -0.007936 TDE= -0.067493 logGD-logG0= -0.009542 tlogG= -0.006875 logG= -0.016417 Density= 0.138419 ETOT(band)= 0.001778 trlgG= -0.017438 logG= -0.016417 TDE= -0.133861 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009602 tlogG= -0.005976 logG= -0.015578 Density= 0.137997 ETOT(band)= 0.001097 trlgG= -0.017493 logG= -0.015578 TDE= -0.134350 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009618 tlogG= -0.006173 logG= -0.015791 Density= 0.138579 ETOT(band)= 0.001647 trlgG= -0.017081 logG= -0.015791 TDE= -0.134283 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009713 tlogG= -0.006604 logG= -0.016316 Density= 0.143602 ETOT(band)= 0.007028 trlgG= -0.012278 logG= -0.016316 TDE= -0.133776 logGD-logG0= -0.009489 tlogG= -0.006852 logG= -0.016341 logGD-logG0= -0.004831 tlogG= -0.002593 logG= -0.007424 Density= 0.138985 ETOT(band)= 0.003066 trlgG= -0.015942 logG= -0.016341 TDE= -0.132984 Density= 0.065493 ETOT(band)= -0.002491 trlgG= -0.011240 logG= -0.007424 TDE= -0.066670 logGD-logG0= -0.009647 tlogG= -0.006055 logG= -0.015703 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009629 tlogG= -0.005669 logG= -0.015298 Density= 0.133787 ETOT(band)= -0.002917 trlgG= -0.021102 logG= -0.015298 TDE= -0.134198 Density= 0.135742 ETOT(band)= -0.001422 trlgG= -0.020070 logG= -0.015703 TDE= -0.134639 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009583 tlogG= -0.005655 logG= -0.015237 Density= 0.136835 ETOT(band)= 0.000469 trlgG= -0.017777 logG= -0.015237 TDE= -0.133859 logGD-logG0= -0.009538 tlogG= -0.006892 logG= -0.016431 Density= 0.137447 ETOT(band)= 0.000364 trlgG= -0.019097 logG= -0.016431 TDE= -0.134573 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019675 tlogG= -0.012838 logG= -0.032513 Density= 0.285419 ETOT(band)= 0.008845 trlgG= -0.030088 logG= -0.032513 TDE= -0.271490 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009857 tlogG= -0.006554 logG= -0.016411 Density= 0.143284 ETOT(band)= 0.004710 trlgG= -0.014962 logG= -0.016411 TDE= -0.136060 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019068 tlogG= -0.013781 logG= -0.032849 Density= 0.275067 ETOT(band)= 0.001361 trlgG= -0.037418 logG= -0.032849 TDE= -0.268549 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019177 tlogG= -0.012036 logG= -0.031213 Density= 0.277834 ETOT(band)= 0.004247 trlgG= -0.033088 logG= -0.031213 TDE= -0.268511 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019106 tlogG= -0.012418 logG= -0.031524 Density= 0.278807 ETOT(band)= 0.006662 trlgG= -0.030590 logG= -0.031524 TDE= -0.266636 logGD-logG0= -0.019194 tlogG= -0.012179 logG= -0.031373 Density= 0.278164 ETOT(band)= 0.004276 trlgG= -0.033261 logG= -0.031373 TDE= -0.268840 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019279 tlogG= -0.010919 logG= -0.030198 Density= 0.271351 ETOT(band)= -0.001842 trlgG= -0.037989 logG= -0.030198 TDE= -0.268205 logGD-logG0= -0.018999 tlogG= -0.013825 logG= -0.032824 Density= 0.275727 ETOT(band)= 0.003185 trlgG= -0.035175 logG= -0.032824 TDE= -0.266964 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019433 tlogG= -0.012131 logG= -0.031564 Density= 0.281427 ETOT(band)= 0.007170 trlgG= -0.030544 logG= -0.031564 TDE= -0.269064 logGD-logG0= -0.019372 tlogG= -0.010250 logG= -0.029622 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.264556 ETOT(band)= -0.007535 trlgG= -0.042814 logG= -0.029622 TDE= -0.267085 logGD-logG0= -0.019174 tlogG= -0.012328 logG= -0.031502 Density= 0.277957 ETOT(band)= 0.004661 trlgG= -0.032802 logG= -0.031502 TDE= -0.268053 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000390 tlogG= 0.008627 logG= 0.008237 Density= 0.005716 ETOT(band)= 0.000068 trlgG= 0.008199 logG= 0.008237 TDE= -0.005524 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019394 tlogG= -0.010523 logG= -0.029917 Density= 0.278182 ETOT(band)= 0.005027 trlgG= -0.030902 logG= -0.029917 TDE= -0.267955 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019718 tlogG= -0.012820 logG= -0.032539 Density= 0.290006 ETOT(band)= 0.015585 trlgG= -0.023248 logG= -0.032539 TDE= -0.269026 logGD-logG0= -0.019301 tlogG= -0.011529 logG= -0.030830 Density= 0.275191 ETOT(band)= 0.001326 trlgG= -0.035428 logG= -0.030830 TDE= -0.268697 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019330 tlogG= -0.010605 logG= -0.029935 Density= 0.274980 ETOT(band)= 0.002819 trlgG= -0.033014 logG= -0.029935 TDE= -0.266975 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019320 tlogG= -0.011760 logG= -0.031080 logGD-logG0= -0.009733 tlogG= -0.004907 logG= -0.014640 Density= 0.269988 ETOT(band)= -0.004379 trlgG= -0.041365 logG= -0.031080 TDE= -0.269391 Density= 0.131199 ETOT(band)= -0.004834 trlgG= -0.022263 logG= -0.014640 TDE= -0.133533 logGD-logG0= -0.019472 tlogG= -0.011212 logG= -0.030684 Density= 0.278220 ETOT(band)= 0.004087 trlgG= -0.032661 logG= -0.030684 TDE= -0.268984 logGD-logG0= -0.019102 tlogG= -0.011710 logG= -0.030812 Density= 0.276429 ETOT(band)= 0.004163 trlgG= -0.032576 logG= -0.030812 TDE= -0.267052 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009654 tlogG= -0.005495 logG= -0.015149 Density= 0.133140 ETOT(band)= -0.003517 trlgG= -0.021493 logG= -0.015149 TDE= -0.134118 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009723 tlogG= -0.005235 logG= -0.014958 logGD-logG0= -0.019537 tlogG= -0.011986 logG= -0.031523 Density= 0.139993 ETOT(band)= 0.003117 trlgG= -0.014904 logG= -0.014958 TDE= -0.134297 Density= 0.280248 ETOT(band)= 0.004725 trlgG= -0.033043 logG= -0.031523 TDE= -0.270472 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019370 tlogG= -0.010683 logG= -0.030053 logGD-logG0= -0.009876 tlogG= -0.006009 logG= -0.015884 Density= 0.144225 ETOT(band)= 0.006795 trlgG= -0.012229 logG= -0.015884 TDE= -0.134756 Density= 0.272240 ETOT(band)= -0.001561 trlgG= -0.037407 logG= -0.030053 TDE= -0.268621 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019417 tlogG= -0.010163 logG= -0.029580 Density= 0.267378 ETOT(band)= -0.005597 trlgG= -0.040877 logG= -0.029580 TDE= -0.267898 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009681 tlogG= -0.005310 logG= -0.014991 Density= 0.136842 ETOT(band)= -0.000003 trlgG= -0.017842 logG= -0.014991 TDE= -0.134177 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009670 tlogG= -0.005530 logG= -0.015200 logGD-logG0= -0.009661 tlogG= -0.005173 logG= -0.014835 Density= 0.136336 ETOT(band)= -0.000384 trlgG= -0.017972 logG= -0.014835 TDE= -0.133979 Density= 0.135780 ETOT(band)= -0.001226 trlgG= -0.019221 logG= -0.015200 TDE= -0.134329 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004839 tlogG= -0.002672 logG= -0.007511 Density= 0.068584 ETOT(band)= 0.000101 trlgG= -0.008881 logG= -0.007511 TDE= -0.067190 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009413 tlogG= -0.008852 logG= -0.018265 Density= 0.139434 ETOT(band)= 0.003838 trlgG= -0.016937 logG= -0.018265 TDE= -0.132485 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002458 tlogG= -0.001876 logG= -0.004334 Density= 0.037016 ETOT(band)= 0.002702 trlgG= -0.002443 logG= -0.004334 TDE= -0.033634 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002355 tlogG= -0.002354 logG= -0.004709 Density= 0.034880 ETOT(band)= 0.000975 trlgG= -0.004391 logG= -0.004709 TDE= -0.033157 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009511 tlogG= -0.007443 logG= -0.016954 Density= 0.137536 ETOT(band)= 0.001737 trlgG= -0.017812 logG= -0.016954 TDE= -0.132850 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002403 tlogG= -0.001978 logG= -0.004381 Density= 0.035824 ETOT(band)= 0.001825 trlgG= -0.003240 logG= -0.004381 TDE= -0.033239 logGD-logG0= -0.009465 tlogG= -0.007788 logG= -0.017253 Density= 0.138563 ETOT(band)= 0.003014 trlgG= -0.016687 logG= -0.017253 TDE= -0.132412 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009478 tlogG= -0.008467 logG= -0.017945 Density= 0.140887 ETOT(band)= 0.005217 trlgG= -0.015378 logG= -0.017945 TDE= -0.132641 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009530 tlogG= -0.007361 logG= -0.016892 Density= 0.141010 ETOT(band)= 0.005407 trlgG= -0.014220 logG= -0.016892 TDE= -0.132654 logGD-logG0= -0.009445 tlogG= -0.008014 logG= -0.017460 Density= 0.138833 ETOT(band)= 0.003397 trlgG= -0.016562 logG= -0.017460 TDE= -0.132339 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004724 tlogG= -0.004038 logG= -0.008761 Density= 0.069945 ETOT(band)= 0.002223 trlgG= -0.007818 logG= -0.008761 TDE= -0.066182 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009767 tlogG= -0.007213 logG= -0.016979 Density= 0.145038 ETOT(band)= 0.008703 trlgG= -0.011177 logG= -0.016979 TDE= -0.133389 logGD-logG0= -0.009519 tlogG= -0.006921 logG= -0.016440 Density= 0.139343 ETOT(band)= 0.004059 trlgG= -0.015026 logG= -0.016440 TDE= -0.132312 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009683 tlogG= -0.005361 logG= -0.015043 Density= 0.134095 ETOT(band)= -0.001428 trlgG= -0.019338 logG= -0.015043 TDE= -0.132984 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009570 tlogG= -0.006389 logG= -0.015960 Density= 0.137385 ETOT(band)= 0.001782 trlgG= -0.017064 logG= -0.015960 TDE= -0.132951 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018937 tlogG= -0.015832 logG= -0.034769 Density= 0.280429 ETOT(band)= 0.009405 trlgG= -0.030514 logG= -0.034769 TDE= -0.264870 logGD-logG0= -0.004817 tlogG= -0.002842 logG= -0.007659 Density= 0.068508 ETOT(band)= 0.000963 trlgG= -0.008114 logG= -0.007659 TDE= -0.066202 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009412 tlogG= -0.009081 logG= -0.018493 Density= 0.139627 ETOT(band)= 0.004028 trlgG= -0.017042 logG= -0.018493 TDE= -0.132548 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009719 tlogG= -0.005045 logG= -0.014763 Density= 0.130939 ETOT(band)= -0.004372 trlgG= -0.021911 logG= -0.014763 TDE= -0.132810 logGD-logG0= -0.019279 tlogG= -0.013302 logG= -0.032581 Density= 0.284784 ETOT(band)= 0.013091 trlgG= -0.025327 logG= -0.032581 TDE= -0.266051 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009882 tlogG= -0.006753 logG= -0.016635 Density= 0.145993 ETOT(band)= 0.009237 trlgG= -0.010613 logG= -0.016635 TDE= -0.134087 logGD-logG0= -0.019049 tlogG= -0.014047 logG= -0.033096 Density= 0.277517 ETOT(band)= 0.006487 trlgG= -0.031808 logG= -0.033096 TDE= -0.265043 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019220 tlogG= -0.011767 logG= -0.030987 Density= 0.276981 ETOT(band)= 0.006217 trlgG= -0.030552 logG= -0.030987 TDE= -0.265382 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009746 tlogG= -0.005727 logG= -0.015473 logGD-logG0= -0.009575 tlogG= -0.007562 logG= -0.017137 Density= 0.141550 ETOT(band)= 0.005641 trlgG= -0.012921 logG= -0.015473 TDE= -0.133293 Density= 0.142534 ETOT(band)= 0.006742 trlgG= -0.013134 logG= -0.017137 TDE= -0.132785 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009555 tlogG= -0.006702 logG= -0.016257 Density= 0.140827 ETOT(band)= 0.005473 trlgG= -0.013626 logG= -0.016257 TDE= -0.132520 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003138 tlogG= 0.069431 logG= 0.066293 Density= 0.046207 ETOT(band)= 0.001003 trlgG= 0.066454 logG= 0.066293 TDE= -0.044184 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003158 tlogG= 0.069830 logG= 0.066672 Density= 0.046279 ETOT(band)= 0.001104 trlgG= 0.066949 logG= 0.066672 TDE= -0.044137 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002346 tlogG= 0.051879 logG= 0.049533 logGD-logG0= -0.003127 tlogG= 0.069147 logG= 0.066020 Density= 0.045849 ETOT(band)= 0.000674 trlgG= 0.065827 logG= 0.066020 TDE= -0.044193 Density= 0.034451 ETOT(band)= 0.000557 trlgG= 0.049447 logG= 0.049533 TDE= -0.033149 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009409 tlogG= 0.208313 logG= 0.198904 Density= 0.138586 ETOT(band)= 0.003035 trlgG= 0.199330 logG= 0.198904 TDE= -0.132575 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004696 tlogG= 0.103974 logG= 0.099278 Density= 0.069148 ETOT(band)= 0.001349 trlgG= 0.099350 logG= 0.099278 TDE= -0.066289 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009446 tlogG= 0.209014 logG= 0.199568 Density= 0.139099 ETOT(band)= 0.003572 trlgG= 0.200565 logG= 0.199568 TDE= -0.132496 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.76043723584209 eV TrLogG= -13.9534548466707 eV Ratio to renormalize= 0.999999999726 rho-rho_expected= 0.000000004392 nargs= 1 argi=dmft2.def 11) Finished k-point number 12 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 96) Finished k-point number 97 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 99) Finished k-point number 100 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 102) Finished k-point number 103 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 65) Finished k-point number 66 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 71) Finished k-point number 72 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 90) Finished k-point number 91 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 94) Finished k-point number 95 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931225037119788 0.927804198599212 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0572923144932 Density= 16.0090138642462 16.0000000000000 EF 12.7851784823796 Density= 15.3928800428819 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95969337 0.93969337 0.901386E-02 -0.607120 1 0.95940078 0.93969337 0.112036E-02 -0.607120 2 0.95935932 0.95940078 -0.670611E-07 0.112036E-02 3 0.95935932 0.95935932 0.159659E-10 -0.670611E-07 Absolute convergence of |F(X)|. Difference in EF= -0.0045449096 EF set to : 13.0527474049 new EF (no-mixing): 13.0527474049 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001219 tlogG= -0.001250 logG= -0.002469 Density= 0.018966 ETOT(band)= 0.001236 trlgG= -0.001648 logG= -0.002469 TDE= -0.017374 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009731 tlogG= -0.009540 logG= -0.019271 Density= 0.151623 ETOT(band)= 0.010137 trlgG= -0.012453 logG= -0.019271 TDE= -0.138644 logGD-logG0= -0.002431 tlogG= -0.002406 logG= -0.004837 Density= 0.037881 ETOT(band)= 0.002564 trlgG= -0.003105 logG= -0.004837 TDE= -0.034610 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004861 tlogG= -0.004623 logG= -0.009484 Density= 0.075785 ETOT(band)= 0.005148 trlgG= -0.005997 logG= -0.009484 TDE= -0.069218 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002436 tlogG= -0.002082 logG= -0.004518 Density= 0.037440 ETOT(band)= 0.002607 trlgG= -0.002789 logG= -0.004518 TDE= -0.034189 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001591 tlogG= -0.001323 logG= -0.002914 Density= 0.022772 ETOT(band)= -0.000155 trlgG= -0.003525 logG= -0.002914 TDE= -0.022458 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009758 tlogG= -0.008076 logG= -0.017834 Density= 0.150512 ETOT(band)= 0.010542 trlgG= -0.010727 logG= -0.017834 TDE= -0.137288 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004882 tlogG= -0.004200 logG= -0.009082 Density= 0.075447 ETOT(band)= 0.005184 trlgG= -0.005623 logG= -0.009082 TDE= -0.068922 logGD-logG0= -0.009779 tlogG= -0.006704 logG= -0.016483 Density= 0.144015 ETOT(band)= 0.005241 trlgG= -0.014513 logG= -0.016483 TDE= -0.136192 logGD-logG0= -0.009762 tlogG= -0.008682 logG= -0.018443 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.150703 ETOT(band)= 0.010614 trlgG= -0.011282 logG= -0.018443 TDE= -0.137418 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009773 tlogG= -0.008814 logG= -0.018587 Density= 0.151144 ETOT(band)= 0.010599 trlgG= -0.011399 logG= -0.018587 TDE= -0.137814 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009733 tlogG= -0.007817 logG= -0.017550 Density= 0.149917 ETOT(band)= 0.010999 trlgG= -0.009953 logG= -0.017550 TDE= -0.136228 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019515 tlogG= -0.015928 logG= -0.035443 Density= 0.301157 ETOT(band)= 0.020988 trlgG= -0.021330 logG= -0.035443 TDE= -0.274805 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019493 tlogG= -0.014811 logG= -0.034304 Density= 0.299275 ETOT(band)= 0.021184 trlgG= -0.019803 logG= -0.034304 TDE= -0.272611 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009771 tlogG= -0.006657 logG= -0.016428 Density= 0.147437 ETOT(band)= 0.008711 trlgG= -0.011055 logG= -0.016428 TDE= -0.136072 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003175 tlogG= -0.002540 logG= -0.005715 Density= 0.045366 ETOT(band)= -0.000313 trlgG= -0.006980 logG= -0.005715 TDE= -0.044788 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003129 tlogG= -0.002616 logG= -0.005744 Density= 0.045875 ETOT(band)= 0.000608 trlgG= -0.005937 logG= -0.005744 TDE= -0.044204 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003157 tlogG= -0.002566 logG= -0.005723 Density= 0.045601 ETOT(band)= 0.000098 trlgG= -0.006504 logG= -0.005723 TDE= -0.044529 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009536 tlogG= -0.007491 logG= -0.017027 Density= 0.136716 ETOT(band)= -0.000608 trlgG= -0.020530 logG= -0.017027 TDE= -0.134662 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009527 tlogG= -0.007407 logG= -0.016935 Density= 0.136584 ETOT(band)= -0.000556 trlgG= -0.020399 logG= -0.016935 TDE= -0.134497 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009513 tlogG= -0.007332 logG= -0.016845 Density= 0.136628 ETOT(band)= -0.000166 trlgG= -0.019888 logG= -0.016845 TDE= -0.134118 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009545 tlogG= -0.006694 logG= -0.016240 Density= 0.137850 ETOT(band)= 0.000790 trlgG= -0.018462 logG= -0.016240 TDE= -0.134470 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009457 tlogG= -0.007399 logG= -0.016856 Density= 0.137303 ETOT(band)= 0.001144 trlgG= -0.018342 logG= -0.016856 TDE= -0.133209 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009775 tlogG= -0.007581 logG= -0.017356 Density= 0.149047 ETOT(band)= 0.010956 trlgG= -0.009787 logG= -0.017356 TDE= -0.135420 logGD-logG0= -0.009837 tlogG= -0.007169 logG= -0.017006 Density= 0.147782 ETOT(band)= 0.009420 trlgG= -0.010954 logG= -0.017006 TDE= -0.135725 logGD-logG0= -0.009641 tlogG= -0.006393 logG= -0.016034 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.140238 ETOT(band)= 0.003436 trlgG= -0.015488 logG= -0.016034 TDE= -0.133993 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009809 tlogG= -0.006546 logG= -0.016355 Density= 0.142559 ETOT(band)= 0.004487 trlgG= -0.015017 logG= -0.016355 TDE= -0.135428 logGD-logG0= -0.004819 tlogG= -0.003119 logG= -0.007937 Density= 0.067557 ETOT(band)= -0.001215 trlgG= -0.010616 logG= -0.007937 TDE= -0.067490 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009492 tlogG= -0.007367 logG= -0.016859 Density= 0.136861 ETOT(band)= 0.000243 trlgG= -0.019406 logG= -0.016859 TDE= -0.133846 logGD-logG0= -0.009601 tlogG= -0.005977 logG= -0.015578 Density= 0.137998 ETOT(band)= 0.001054 trlgG= -0.017531 logG= -0.015578 TDE= -0.134343 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009542 tlogG= -0.006877 logG= -0.016418 Density= 0.138427 ETOT(band)= 0.001743 trlgG= -0.017471 logG= -0.016418 TDE= -0.133854 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009627 tlogG= -0.005673 logG= -0.015300 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.133809 ETOT(band)= -0.002939 trlgG= -0.021121 logG= -0.015300 TDE= -0.134192 logGD-logG0= -0.009554 tlogG= -0.006662 logG= -0.016217 Density= 0.137793 ETOT(band)= 0.000813 trlgG= -0.018450 logG= -0.016217 TDE= -0.134426 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009518 tlogG= -0.006564 logG= -0.016082 Density= 0.137618 ETOT(band)= 0.001053 trlgG= -0.017984 logG= -0.016082 TDE= -0.133927 logGD-logG0= -0.009581 tlogG= -0.005655 logG= -0.015236 logGD-logG0= -0.009710 tlogG= -0.006605 logG= -0.016315 Density= 0.143589 ETOT(band)= 0.006971 trlgG= -0.012329 logG= -0.016315 TDE= -0.133767 Density= 0.136835 ETOT(band)= 0.000426 trlgG= -0.017814 logG= -0.015236 TDE= -0.133852 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009617 tlogG= -0.006176 logG= -0.015793 Density= 0.138578 ETOT(band)= 0.001602 trlgG= -0.017122 logG= -0.015793 TDE= -0.134275 logGD-logG0= -0.009488 tlogG= -0.006853 logG= -0.016341 Density= 0.138990 ETOT(band)= 0.003026 trlgG= -0.015976 logG= -0.016341 TDE= -0.132977 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009537 tlogG= -0.006892 logG= -0.016430 Density= 0.137459 ETOT(band)= 0.000332 trlgG= -0.019123 logG= -0.016430 TDE= -0.134566 logGD-logG0= -0.004830 tlogG= -0.002592 logG= -0.007422 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.065488 ETOT(band)= -0.002518 trlgG= -0.011262 logG= -0.007422 TDE= -0.066667 logGD-logG0= -0.009646 tlogG= -0.006059 logG= -0.015705 Density= 0.135754 ETOT(band)= -0.001455 trlgG= -0.020101 logG= -0.015705 TDE= -0.134632 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019191 tlogG= -0.012183 logG= -0.031375 Density= 0.278164 ETOT(band)= 0.004189 trlgG= -0.033340 logG= -0.031375 TDE= -0.268824 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019280 tlogG= -0.010929 logG= -0.030209 logGD-logG0= -0.009855 tlogG= -0.006554 logG= -0.016409 logGD-logG0= -0.019173 tlogG= -0.012031 logG= -0.031204 Density= 0.277834 ETOT(band)= 0.004158 trlgG= -0.033157 logG= -0.031204 TDE= -0.268495 Density= 0.143246 ETOT(band)= 0.004630 trlgG= -0.015033 logG= -0.016409 TDE= -0.136049 Density= 0.271349 ETOT(band)= -0.001928 trlgG= -0.038078 logG= -0.030209 TDE= -0.268190 logGD-logG0= -0.019669 tlogG= -0.012840 logG= -0.032509 Density= 0.285350 ETOT(band)= 0.008693 trlgG= -0.030225 logG= -0.032509 TDE= -0.271470 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019065 tlogG= -0.013782 logG= -0.032847 Density= 0.275090 ETOT(band)= 0.001294 trlgG= -0.037472 logG= -0.032847 TDE= -0.268535 logGD-logG0= -0.019429 tlogG= -0.012131 logG= -0.031560 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.281381 ETOT(band)= 0.007041 trlgG= -0.030661 logG= -0.031560 TDE= -0.269046 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019298 tlogG= -0.011534 logG= -0.030832 Density= 0.275182 ETOT(band)= 0.001230 trlgG= -0.035515 logG= -0.030832 TDE= -0.268681 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019174 tlogG= -0.012335 logG= -0.031510 Density= 0.277960 ETOT(band)= 0.004577 trlgG= -0.032884 logG= -0.031510 TDE= -0.268038 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019106 tlogG= -0.012421 logG= -0.031527 Density= 0.278802 ETOT(band)= 0.006571 trlgG= -0.030675 logG= -0.031527 TDE= -0.266620 logGD-logG0= -0.000390 tlogG= 0.008624 logG= 0.008234 Density= 0.005717 ETOT(band)= 0.000067 trlgG= 0.008194 logG= 0.008234 TDE= -0.005524 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019098 tlogG= -0.011711 logG= -0.030808 Density= 0.276436 ETOT(band)= 0.004079 trlgG= -0.032644 logG= -0.030808 TDE= -0.267037 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019391 tlogG= -0.010523 logG= -0.029914 Density= 0.278101 ETOT(band)= 0.004862 trlgG= -0.031054 logG= -0.029914 TDE= -0.267938 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018997 tlogG= -0.013837 logG= -0.032834 Density= 0.275748 ETOT(band)= 0.003114 trlgG= -0.035244 logG= -0.032834 TDE= -0.266952 logGD-logG0= -0.004913 tlogG= -0.003586 logG= -0.008498 Density= 0.074790 ETOT(band)= 0.005098 trlgG= -0.005082 logG= -0.008498 TDE= -0.068334 logGD-logG0= -0.019370 tlogG= -0.010253 logG= -0.029622 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.264489 ETOT(band)= -0.007686 trlgG= -0.042954 logG= -0.029622 TDE= -0.267071 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019716 tlogG= -0.012815 logG= -0.032531 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.290005 ETOT(band)= 0.015498 trlgG= -0.023318 logG= -0.032531 TDE= -0.269007 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009730 tlogG= -0.004909 logG= -0.014639 Density= 0.131147 ETOT(band)= -0.004926 trlgG= -0.022348 logG= -0.014639 TDE= -0.133526 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019317 tlogG= -0.011765 logG= -0.031082 logGD-logG0= -0.009654 tlogG= -0.005496 logG= -0.015150 Density= 0.133152 ETOT(band)= -0.003549 trlgG= -0.021522 logG= -0.015150 TDE= -0.134112 Density= 0.270011 ETOT(band)= -0.004445 trlgG= -0.041422 logG= -0.031082 TDE= -0.269378 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019415 tlogG= -0.010166 logG= -0.029581 Density= 0.267317 ETOT(band)= -0.005743 trlgG= -0.041011 logG= -0.029581 TDE= -0.267883 logGD-logG0= -0.019327 tlogG= -0.010603 logG= -0.029929 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.274896 ETOT(band)= 0.002652 trlgG= -0.033163 logG= -0.029929 TDE= -0.266958 logGD-logG0= -0.019368 tlogG= -0.010686 logG= -0.030054 Density= 0.272214 ETOT(band)= -0.001673 trlgG= -0.037508 logG= -0.030054 TDE= -0.268605 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009721 tlogG= -0.005233 logG= -0.014954 Density= 0.139960 ETOT(band)= 0.003041 trlgG= -0.014970 logG= -0.014954 TDE= -0.134289 logGD-logG0= -0.009874 tlogG= -0.006008 logG= -0.015882 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.144214 ETOT(band)= 0.006741 trlgG= -0.012276 logG= -0.015882 TDE= -0.134747 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019531 tlogG= -0.011984 logG= -0.031515 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.280197 ETOT(band)= 0.004589 trlgG= -0.033159 logG= -0.031515 TDE= -0.270453 logGD-logG0= -0.019470 tlogG= -0.011216 logG= -0.030686 Density= 0.278174 ETOT(band)= 0.003958 trlgG= -0.032783 logG= -0.030686 TDE= -0.268966 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009660 tlogG= -0.005175 logG= -0.014835 Density= 0.136337 ETOT(band)= -0.000427 trlgG= -0.018011 logG= -0.014835 TDE= -0.133972 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009669 tlogG= -0.005534 logG= -0.015203 Density= 0.135785 ETOT(band)= -0.001266 trlgG= -0.019258 logG= -0.015203 TDE= -0.134322 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009680 tlogG= -0.005311 logG= -0.014991 Density= 0.136837 ETOT(band)= -0.000052 trlgG= -0.017886 logG= -0.014991 TDE= -0.134170 logGD-logG0= -0.004838 tlogG= -0.002673 logG= -0.007511 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.068586 ETOT(band)= 0.000081 trlgG= -0.008899 logG= -0.007511 TDE= -0.067187 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002457 tlogG= -0.001876 logG= -0.004333 Density= 0.037021 ETOT(band)= 0.002695 trlgG= -0.002448 logG= -0.004333 TDE= -0.033631 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009413 tlogG= -0.008853 logG= -0.018266 Density= 0.139442 ETOT(band)= 0.003799 trlgG= -0.016970 logG= -0.018266 TDE= -0.132479 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002355 tlogG= -0.002354 logG= -0.004709 Density= 0.034882 ETOT(band)= 0.000965 trlgG= -0.004400 logG= -0.004709 TDE= -0.033155 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009464 tlogG= -0.007789 logG= -0.017253 Density= 0.138573 ETOT(band)= 0.002978 trlgG= -0.016718 logG= -0.017253 TDE= -0.132406 logGD-logG0= -0.009510 tlogG= -0.007445 logG= -0.016956 Density= 0.137550 ETOT(band)= 0.001705 trlgG= -0.017841 logG= -0.016956 TDE= -0.132845 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009529 tlogG= -0.007361 logG= -0.016890 Density= 0.141008 ETOT(band)= 0.005360 trlgG= -0.014260 logG= -0.016890 TDE= -0.132647 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002403 tlogG= -0.001978 logG= -0.004381 Density= 0.035823 ETOT(band)= 0.001812 trlgG= -0.003251 logG= -0.004381 TDE= -0.033237 logGD-logG0= -0.009477 tlogG= -0.008467 logG= -0.017945 Density= 0.140888 ETOT(band)= 0.005174 trlgG= -0.015416 logG= -0.017945 TDE= -0.132634 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009446 tlogG= -0.008017 logG= -0.017463 Density= 0.138842 ETOT(band)= 0.003360 trlgG= -0.016597 logG= -0.017463 TDE= -0.132333 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009765 tlogG= -0.007212 logG= -0.016977 Density= 0.145034 ETOT(band)= 0.008655 trlgG= -0.011218 logG= -0.016977 TDE= -0.133380 logGD-logG0= -0.004724 tlogG= -0.004039 logG= -0.008763 Density= 0.069948 ETOT(band)= 0.002203 trlgG= -0.007837 logG= -0.008763 TDE= -0.066179 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009519 tlogG= -0.006923 logG= -0.016442 Density= 0.139348 ETOT(band)= 0.004019 trlgG= -0.015063 logG= -0.016442 TDE= -0.132306 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009682 tlogG= -0.005364 logG= -0.015046 Density= 0.134087 ETOT(band)= -0.001478 trlgG= -0.019386 logG= -0.015046 TDE= -0.132978 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009568 tlogG= -0.006390 logG= -0.015958 logGD-logG0= -0.018935 tlogG= -0.015834 logG= -0.034769 Density= 0.137399 ETOT(band)= 0.001750 trlgG= -0.017089 logG= -0.015958 TDE= -0.132946 Density= 0.280435 ETOT(band)= 0.009321 trlgG= -0.030588 logG= -0.034769 TDE= -0.264857 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004817 tlogG= -0.002842 logG= -0.007658 Density= 0.068509 ETOT(band)= 0.000943 trlgG= -0.008132 logG= -0.007658 TDE= -0.066199 logGD-logG0= -0.009411 tlogG= -0.009082 logG= -0.018493 Density= 0.139634 ETOT(band)= 0.003989 trlgG= -0.017076 logG= -0.018493 TDE= -0.132542 logGD-logG0= -0.019276 tlogG= -0.013302 logG= -0.032578 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.284764 ETOT(band)= 0.012985 trlgG= -0.025422 logG= -0.032578 TDE= -0.266034 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009881 tlogG= -0.006751 logG= -0.016632 Density= 0.145999 ETOT(band)= 0.009199 trlgG= -0.010643 logG= -0.016632 TDE= -0.134077 logGD-logG0= -0.009574 tlogG= -0.007562 logG= -0.017136 Density= 0.142529 ETOT(band)= 0.006693 trlgG= -0.013177 logG= -0.017136 TDE= -0.132778 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009717 tlogG= -0.005049 logG= -0.014766 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.130896 ETOT(band)= -0.004455 trlgG= -0.021992 logG= -0.014766 TDE= -0.132803 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009744 tlogG= -0.005727 logG= -0.015471 Density= 0.141526 ETOT(band)= 0.005576 trlgG= -0.012980 logG= -0.015471 TDE= -0.133283 logGD-logG0= -0.019047 tlogG= -0.014052 logG= -0.033099 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019220 tlogG= -0.011775 logG= -0.030996 Density= 0.277532 ETOT(band)= 0.006409 trlgG= -0.031878 logG= -0.033099 TDE= -0.265031 Density= 0.276994 ETOT(band)= 0.006143 trlgG= -0.030627 logG= -0.030996 TDE= -0.265368 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009554 tlogG= -0.006703 logG= -0.016257 Density= 0.140825 ETOT(band)= 0.005427 trlgG= -0.013668 logG= -0.016257 TDE= -0.132513 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003127 tlogG= 0.069121 logG= 0.065994 logGD-logG0= -0.003158 tlogG= 0.069804 logG= 0.066646 Density= 0.045854 ETOT(band)= 0.000663 trlgG= 0.065792 logG= 0.065994 TDE= -0.044192 Density= 0.046282 ETOT(band)= 0.001092 trlgG= 0.066913 logG= 0.066646 TDE= -0.044135 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003138 tlogG= 0.069406 logG= 0.066268 Density= 0.046210 ETOT(band)= 0.000991 trlgG= 0.066418 logG= 0.066268 TDE= -0.044182 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002346 tlogG= 0.051860 logG= 0.049514 Density= 0.034454 ETOT(band)= 0.000548 trlgG= 0.049421 logG= 0.049514 TDE= -0.033147 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009408 tlogG= 0.208236 logG= 0.198828 Density= 0.138598 ETOT(band)= 0.002999 trlgG= 0.199223 logG= 0.198828 TDE= -0.132569 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004695 tlogG= 0.103936 logG= 0.099241 Density= 0.069154 ETOT(band)= 0.001332 trlgG= 0.099297 logG= 0.099241 TDE= -0.066287 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009445 tlogG= 0.208937 logG= 0.199492 Density= 0.139108 ETOT(band)= 0.003535 trlgG= 0.200456 logG= 0.199492 TDE= -0.132490 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.69239469973631 eV TrLogG= -14.0181348864034 eV Ratio to renormalize= 0.999999999724 rho-rho_expected= 0.000000004409 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 46) Finished k-point number 47 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 20) Finished k-point number 21 1 with #bands= 26 61) Finished k-point number 62 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 69) Finished k-point number 70 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 67) Finished k-point number 68 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 79) Finished k-point number 80 1 with #bands= 20 25) Finished k-point number 26 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 94) Finished k-point number 95 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 76) Finished k-point number 77 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 92) Finished k-point number 93 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 96) Finished k-point number 97 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931244447076182 0.927839055417567 56) Finished k-point number 57 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 7) Finished k-point number 8 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 15) Finished k-point number 16 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 24) Finished k-point number 25 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 39) Finished k-point number 40 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 40) Finished k-point number 41 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0527474049194 Density= 15.9712526707525 16.0000000000000 EF 13.3248612370330 Density= 16.4671229437768 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97935932 0.95935932 0.467123 -0.287473E-01 1 0.96935932 0.95935934 0.228324 -0.287473E-01 2 0.96435933 0.95935957 0.102784 -0.287473E-01 3 0.96185945 0.95935922 0.380023E-01 -0.287473E-01 4 0.96060934 0.95935940 0.490608E-02 -0.287473E-01 5 0.96042580 0.95935940 0.143602E-05 -0.287473E-01 6 0.96042574 0.95935940 0.474323E-10 -0.287473E-01 Absolute convergence of |F(X)|. Difference in EF= 0.0145093410 EF set to : 13.0672567459 new EF (no-mixing): 13.0672567459 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001200 tlogG= -0.001247 logG= -0.002447 Density= 0.018977 ETOT(band)= 0.001245 trlgG= -0.001609 logG= -0.002447 TDE= -0.017388 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002393 tlogG= -0.002399 logG= -0.004791 Density= 0.037906 ETOT(band)= 0.002587 trlgG= -0.003023 logG= -0.004791 TDE= -0.034638 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009577 tlogG= -0.009512 logG= -0.019089 Density= 0.151719 ETOT(band)= 0.010219 trlgG= -0.012130 logG= -0.019089 TDE= -0.138755 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004785 tlogG= -0.004609 logG= -0.009393 Density= 0.075836 ETOT(band)= 0.005192 trlgG= -0.005832 logG= -0.009393 TDE= -0.069274 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002397 tlogG= -0.002075 logG= -0.004472 Density= 0.037477 ETOT(band)= 0.002641 trlgG= -0.002696 logG= -0.004472 TDE= -0.034217 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001566 tlogG= -0.001316 logG= -0.002881 Density= 0.022769 ETOT(band)= -0.000161 trlgG= -0.003489 logG= -0.002881 TDE= -0.022476 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009603 tlogG= -0.008047 logG= -0.017650 Density= 0.150660 ETOT(band)= 0.010677 trlgG= -0.010351 logG= -0.017650 TDE= -0.137400 logGD-logG0= -0.009623 tlogG= -0.006675 logG= -0.016298 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009607 tlogG= -0.008653 logG= -0.018260 Density= 0.150849 ETOT(band)= 0.010747 trlgG= -0.010910 logG= -0.018260 TDE= -0.137529 Density= 0.143910 ETOT(band)= 0.005113 trlgG= -0.014387 logG= -0.016298 TDE= -0.136304 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004804 tlogG= -0.004186 logG= -0.008990 Density= 0.075517 ETOT(band)= 0.005248 trlgG= -0.005440 logG= -0.008990 TDE= -0.068978 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009577 tlogG= -0.007789 logG= -0.017366 Density= 0.150068 ETOT(band)= 0.011136 trlgG= -0.009576 logG= -0.017366 TDE= -0.136339 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009618 tlogG= -0.008786 logG= -0.018403 Density= 0.151274 ETOT(band)= 0.010715 trlgG= -0.011042 logG= -0.018403 TDE= -0.137926 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019180 tlogG= -0.014752 logG= -0.033932 logGD-logG0= -0.019205 tlogG= -0.015870 logG= -0.035075 Density= 0.299547 ETOT(band)= 0.021425 trlgG= -0.019074 logG= -0.033932 TDE= -0.272834 Density= 0.301473 ETOT(band)= 0.021277 trlgG= -0.020560 logG= -0.035075 TDE= -0.275028 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009614 tlogG= -0.006628 logG= -0.016242 Density= 0.147444 ETOT(band)= 0.008699 trlgG= -0.010817 logG= -0.016242 TDE= -0.136184 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003125 tlogG= -0.002525 logG= -0.005650 Density= 0.045371 ETOT(band)= -0.000314 trlgG= -0.006899 logG= -0.005650 TDE= -0.044825 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003079 tlogG= -0.002602 logG= -0.005681 Density= 0.045866 ETOT(band)= 0.000591 trlgG= -0.005871 logG= -0.005681 TDE= -0.044241 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003107 tlogG= -0.002552 logG= -0.005659 Density= 0.045598 ETOT(band)= 0.000088 trlgG= -0.006431 logG= -0.005659 TDE= -0.044566 logGD-logG0= -0.009387 tlogG= -0.007453 logG= -0.016840 Density= 0.136721 ETOT(band)= -0.000629 trlgG= -0.020303 logG= -0.016840 TDE= -0.134773 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009380 tlogG= -0.007367 logG= -0.016747 Density= 0.136596 ETOT(band)= -0.000567 trlgG= -0.020165 logG= -0.016747 TDE= -0.134609 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009396 tlogG= -0.006655 logG= -0.016051 Density= 0.137863 ETOT(band)= 0.000774 trlgG= -0.018226 logG= -0.016051 TDE= -0.134582 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009364 tlogG= -0.007294 logG= -0.016658 Density= 0.136643 ETOT(band)= -0.000175 trlgG= -0.019652 logG= -0.016658 TDE= -0.134230 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009307 tlogG= -0.007359 logG= -0.016666 Density= 0.137296 ETOT(band)= 0.001112 trlgG= -0.018124 logG= -0.016666 TDE= -0.133321 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009659 tlogG= -0.006513 logG= -0.016172 logGD-logG0= -0.009491 tlogG= -0.006358 logG= -0.015849 Density= 0.140243 ETOT(band)= 0.003406 trlgG= -0.015262 logG= -0.015849 TDE= -0.134106 Density= 0.142446 ETOT(band)= 0.004342 trlgG= -0.014903 logG= -0.016172 TDE= -0.135539 logGD-logG0= -0.009680 tlogG= -0.007138 logG= -0.016818 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009391 tlogG= -0.006838 logG= -0.016229 Density= 0.147697 ETOT(band)= 0.009312 trlgG= -0.010803 logG= -0.016818 TDE= -0.135837 Density= 0.138418 ETOT(band)= 0.001703 trlgG= -0.017254 logG= -0.016229 TDE= -0.133965 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009619 tlogG= -0.007551 logG= -0.017170 Density= 0.149086 ETOT(band)= 0.010977 trlgG= -0.009516 logG= -0.017170 TDE= -0.135532 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009405 tlogG= -0.006622 logG= -0.016027 Density= 0.137813 ETOT(band)= 0.000804 trlgG= -0.018206 logG= -0.016027 TDE= -0.134537 logGD-logG0= -0.004743 tlogG= -0.003097 logG= -0.007839 Density= 0.067607 ETOT(band)= -0.001176 trlgG= -0.010445 logG= -0.007839 TDE= -0.067537 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009368 tlogG= -0.006523 logG= -0.015891 Density= 0.137640 ETOT(band)= 0.001047 trlgG= -0.017737 logG= -0.015891 TDE= -0.134038 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004754 tlogG= -0.002571 logG= -0.007326 Density= 0.065326 ETOT(band)= -0.002697 trlgG= -0.011301 logG= -0.007326 TDE= -0.066715 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009342 tlogG= -0.007324 logG= -0.016667 Density= 0.136865 ETOT(band)= 0.000224 trlgG= -0.019176 logG= -0.016667 TDE= -0.133958 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009429 tlogG= -0.005614 logG= -0.015043 Density= 0.136941 ETOT(band)= 0.000502 trlgG= -0.017485 logG= -0.015043 TDE= -0.133963 logGD-logG0= -0.009451 tlogG= -0.005939 logG= -0.015390 Density= 0.138065 ETOT(band)= 0.001089 trlgG= -0.017243 logG= -0.015390 TDE= -0.134454 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009339 tlogG= -0.006817 logG= -0.016156 Density= 0.138985 ETOT(band)= 0.002989 trlgG= -0.015779 logG= -0.016156 TDE= -0.133107 logGD-logG0= -0.009474 tlogG= -0.005627 logG= -0.015101 logGD-logG0= -0.009559 tlogG= -0.006575 logG= -0.016134 Density= 0.143418 ETOT(band)= 0.006768 trlgG= -0.012270 logG= -0.016134 TDE= -0.133879 Density= 0.133858 ETOT(band)= -0.002913 trlgG= -0.020826 logG= -0.015101 TDE= -0.134285 logGD-logG0= -0.009494 tlogG= -0.006014 logG= -0.015508 Density= 0.135887 ETOT(band)= -0.001348 trlgG= -0.019725 logG= -0.015508 TDE= -0.134726 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009389 tlogG= -0.006852 logG= -0.016241 Density= 0.137474 ETOT(band)= 0.000319 trlgG= -0.018885 logG= -0.016241 TDE= -0.134678 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009468 tlogG= -0.006138 logG= -0.015606 Density= 0.138622 ETOT(band)= 0.001613 trlgG= -0.016857 logG= -0.015606 TDE= -0.134387 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019368 tlogG= -0.012768 logG= -0.032136 Density= 0.285118 ETOT(band)= 0.008403 trlgG= -0.029994 logG= -0.032136 TDE= -0.271693 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009702 tlogG= -0.006521 logG= -0.016222 Density= 0.143127 ETOT(band)= 0.004484 trlgG= -0.014920 logG= -0.016222 TDE= -0.136161 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018875 tlogG= -0.011961 logG= -0.030836 Density= 0.277879 ETOT(band)= 0.004141 trlgG= -0.032672 logG= -0.030836 TDE= -0.268719 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018807 tlogG= -0.012351 logG= -0.031158 Density= 0.278871 ETOT(band)= 0.006570 trlgG= -0.030202 logG= -0.031158 TDE= -0.266880 logGD-logG0= -0.018767 tlogG= -0.013703 logG= -0.032470 Density= 0.275114 ETOT(band)= 0.001263 trlgG= -0.037002 logG= -0.032470 TDE= -0.268759 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018973 tlogG= -0.010844 logG= -0.029817 Density= 0.271665 ETOT(band)= -0.001677 trlgG= -0.037316 logG= -0.029817 TDE= -0.268413 logGD-logG0= -0.004834 tlogG= -0.003571 logG= -0.008405 Density= 0.074864 ETOT(band)= 0.005163 trlgG= -0.004894 logG= -0.008405 TDE= -0.068390 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019128 tlogG= -0.012060 logG= -0.031188 logGD-logG0= -0.018996 tlogG= -0.011452 logG= -0.030448 Density= 0.275461 ETOT(band)= 0.001442 trlgG= -0.034792 logG= -0.030448 TDE= -0.268904 logGD-logG0= -0.009499 tlogG= -0.005455 logG= -0.014954 Density= 0.281413 ETOT(band)= 0.007001 trlgG= -0.030180 logG= -0.031188 TDE= -0.269269 Density= 0.133130 ETOT(band)= -0.003597 trlgG= -0.021298 logG= -0.014954 TDE= -0.134205 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018874 tlogG= -0.012261 logG= -0.031135 Density= 0.278001 ETOT(band)= 0.004551 trlgG= -0.032397 logG= -0.031135 TDE= -0.268261 logGD-logG0= -0.018894 tlogG= -0.012112 logG= -0.031006 Density= 0.278184 ETOT(band)= 0.004146 trlgG= -0.032878 logG= -0.031006 TDE= -0.269047 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009580 tlogG= -0.004867 logG= -0.014447 Density= 0.130819 ETOT(band)= -0.005292 trlgG= -0.022459 logG= -0.014447 TDE= -0.133654 logGD-logG0= -0.019065 tlogG= -0.010173 logG= -0.029238 Density= 0.263951 ETOT(band)= -0.008296 trlgG= -0.043027 logG= -0.029238 TDE= -0.267295 logGD-logG0= -0.019405 tlogG= -0.012760 logG= -0.032165 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.289539 ETOT(band)= 0.014974 trlgG= -0.023314 logG= -0.032165 TDE= -0.269230 logGD-logG0= -0.018798 tlogG= -0.011640 logG= -0.030438 Density= 0.276566 ETOT(band)= 0.004148 trlgG= -0.032077 logG= -0.030438 TDE= -0.267260 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019085 tlogG= -0.010461 logG= -0.029546 logGD-logG0= -0.019230 tlogG= -0.011909 logG= -0.031139 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278390 ETOT(band)= 0.005070 trlgG= -0.030335 logG= -0.029546 TDE= -0.268161 Density= 0.280228 ETOT(band)= 0.004557 trlgG= -0.032677 logG= -0.031139 TDE= -0.270677 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009569 tlogG= -0.005199 logG= -0.014768 Density= 0.140052 ETOT(band)= 0.003096 trlgG= -0.014658 logG= -0.014768 TDE= -0.134400 logGD-logG0= -0.019011 tlogG= -0.011676 logG= -0.030688 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.270252 ETOT(band)= -0.004252 trlgG= -0.040695 logG= -0.030688 TDE= -0.269565 logGD-logG0= -0.019060 tlogG= -0.010601 logG= -0.029661 Density= 0.272577 ETOT(band)= -0.001378 trlgG= -0.036700 logG= -0.029661 TDE= -0.268828 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018697 tlogG= -0.013747 logG= -0.032444 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.275751 ETOT(band)= 0.003063 trlgG= -0.034781 logG= -0.032444 TDE= -0.267175 logGD-logG0= -0.009717 tlogG= -0.005978 logG= -0.015695 Density= 0.144044 ETOT(band)= 0.006542 trlgG= -0.012210 logG= -0.015695 TDE= -0.134858 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019165 tlogG= -0.011140 logG= -0.030304 Density= 0.278327 ETOT(band)= 0.004043 trlgG= -0.032181 logG= -0.030304 TDE= -0.269190 logGD-logG0= -0.019022 tlogG= -0.010537 logG= -0.029558 Density= 0.274925 ETOT(band)= 0.002598 trlgG= -0.032731 logG= -0.029558 TDE= -0.267218 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009516 tlogG= -0.005490 logG= -0.015006 Density= 0.135942 ETOT(band)= -0.001137 trlgG= -0.018861 logG= -0.015006 TDE= -0.134417 logGD-logG0= -0.019104 tlogG= -0.010076 logG= -0.029180 Density= 0.267250 ETOT(band)= -0.005879 trlgG= -0.040613 logG= -0.029180 TDE= -0.268106 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004762 tlogG= -0.002654 logG= -0.007416 Density= 0.068647 ETOT(band)= 0.000126 trlgG= -0.008728 logG= -0.007416 TDE= -0.067242 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000384 tlogG= 0.008636 logG= 0.008252 logGD-logG0= -0.009526 tlogG= -0.005272 logG= -0.014798 Density= 0.137007 ETOT(band)= 0.000086 trlgG= -0.017495 logG= -0.014798 TDE= -0.134282 Density= 0.005715 ETOT(band)= 0.000065 trlgG= 0.008212 logG= 0.008252 TDE= -0.005529 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.009508 tlogG= -0.005136 logG= -0.014644 Density= 0.136515 ETOT(band)= -0.000280 trlgG= -0.017614 logG= -0.014644 TDE= -0.134083 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002418 tlogG= -0.001868 logG= -0.004287 Density= 0.036966 ETOT(band)= 0.002634 trlgG= -0.002443 logG= -0.004287 TDE= -0.033659 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002318 tlogG= -0.002345 logG= -0.004663 Density= 0.034867 ETOT(band)= 0.000943 trlgG= -0.004359 logG= -0.004663 TDE= -0.033183 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009265 tlogG= -0.008816 logG= -0.018081 Density= 0.139376 ETOT(band)= 0.003704 trlgG= -0.016811 logG= -0.018081 TDE= -0.132590 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009360 tlogG= -0.007404 logG= -0.016764 Density= 0.137534 ETOT(band)= 0.001663 trlgG= -0.017630 logG= -0.016764 TDE= -0.132957 logGD-logG0= -0.009315 tlogG= -0.007751 logG= -0.017066 Density= 0.138533 ETOT(band)= 0.002910 trlgG= -0.016534 logG= -0.017066 TDE= -0.132518 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002366 tlogG= -0.001971 logG= -0.004336 Density= 0.035780 ETOT(band)= 0.001760 trlgG= -0.003239 logG= -0.004336 TDE= -0.033266 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009329 tlogG= -0.008434 logG= -0.017763 Density= 0.140804 ETOT(band)= 0.005055 trlgG= -0.015278 logG= -0.017763 TDE= -0.132746 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009381 tlogG= -0.007329 logG= -0.016709 Density= 0.140938 ETOT(band)= 0.005254 trlgG= -0.014126 logG= -0.016709 TDE= -0.132776 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009613 tlogG= -0.007185 logG= -0.016797 Density= 0.144768 ETOT(band)= 0.008355 trlgG= -0.011250 logG= -0.016797 TDE= -0.133492 logGD-logG0= -0.009297 tlogG= -0.007979 logG= -0.017276 Density= 0.138795 ETOT(band)= 0.003284 trlgG= -0.016418 logG= -0.017276 TDE= -0.132445 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004650 tlogG= -0.004021 logG= -0.008671 Density= 0.069915 ETOT(band)= 0.002154 trlgG= -0.007758 logG= -0.008671 TDE= -0.066235 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009369 tlogG= -0.006887 logG= -0.016256 Density= 0.139323 ETOT(band)= 0.003962 trlgG= -0.014882 logG= -0.016256 TDE= -0.132436 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009529 tlogG= -0.005324 logG= -0.014853 Density= 0.133862 ETOT(band)= -0.001740 trlgG= -0.019377 logG= -0.014853 TDE= -0.133090 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009418 tlogG= -0.006351 logG= -0.015770 Density= 0.137439 ETOT(band)= 0.001763 trlgG= -0.016827 logG= -0.015770 TDE= -0.133057 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018639 tlogG= -0.015764 logG= -0.034403 Density= 0.280301 ETOT(band)= 0.009121 trlgG= -0.030290 logG= -0.034403 TDE= -0.265095 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009726 tlogG= -0.006723 logG= -0.016449 Density= 0.145722 ETOT(band)= 0.008891 trlgG= -0.010682 logG= -0.016449 TDE= -0.134189 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004740 tlogG= -0.002823 logG= -0.007562 Density= 0.068471 ETOT(band)= 0.000886 trlgG= -0.008065 logG= -0.007562 TDE= -0.066264 logGD-logG0= -0.009264 tlogG= -0.009046 logG= -0.018310 logGD-logG0= -0.009425 tlogG= -0.007531 logG= -0.016956 Density= 0.142396 ETOT(band)= 0.006524 trlgG= -0.013101 logG= -0.016956 TDE= -0.132905 Density= 0.139569 ETOT(band)= 0.003893 trlgG= -0.016918 logG= -0.018310 TDE= -0.132654 logGD-logG0= -0.018978 tlogG= -0.013240 logG= -0.032218 Density= 0.284573 ETOT(band)= 0.012720 trlgG= -0.025201 logG= -0.032218 TDE= -0.266295 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009570 tlogG= -0.005007 logG= -0.014577 Density= 0.130607 ETOT(band)= -0.004791 trlgG= -0.022071 logG= -0.014577 TDE= -0.132932 logGD-logG0= -0.018748 tlogG= -0.013976 logG= -0.032724 Density= 0.277501 ETOT(band)= 0.006317 trlgG= -0.031494 logG= -0.032724 TDE= -0.265290 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009592 tlogG= -0.005696 logG= -0.015287 Density= 0.141530 ETOT(band)= 0.005539 trlgG= -0.012772 logG= -0.015287 TDE= -0.133414 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018913 tlogG= -0.011694 logG= -0.030608 Density= 0.277101 ETOT(band)= 0.006179 trlgG= -0.030101 logG= -0.030608 TDE= -0.265628 logGD-logG0= -0.009406 tlogG= -0.006670 logG= -0.016076 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.140779 ETOT(band)= 0.005346 trlgG= -0.013512 logG= -0.016076 TDE= -0.132643 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003088 tlogG= 0.069500 logG= 0.066411 Density= 0.046190 ETOT(band)= 0.000961 trlgG= 0.066554 logG= 0.066411 TDE= -0.044219 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003078 tlogG= 0.069215 logG= 0.066137 Density= 0.045841 ETOT(band)= 0.000642 trlgG= 0.065935 logG= 0.066137 TDE= -0.044229 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003108 tlogG= 0.069898 logG= 0.066790 Density= 0.046262 ETOT(band)= 0.001062 trlgG= 0.067050 logG= 0.066790 TDE= -0.044172 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002309 tlogG= 0.051931 logG= 0.049622 Density= 0.034443 ETOT(band)= 0.000531 trlgG= 0.049527 logG= 0.049622 TDE= -0.033175 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009260 tlogG= 0.208517 logG= 0.199257 Density= 0.138546 ETOT(band)= 0.002919 trlgG= 0.199639 logG= 0.199257 TDE= -0.132681 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004621 tlogG= 0.104076 logG= 0.099455 Density= 0.069128 ETOT(band)= 0.001292 trlgG= 0.099504 logG= 0.099455 TDE= -0.066342 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009297 tlogG= 0.209217 logG= 0.199921 Density= 0.139046 ETOT(band)= 0.003443 trlgG= 0.200862 logG= 0.199921 TDE= -0.132602 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.64659506269246 eV TrLogG= -13.6578712901770 eV Ratio to renormalize= 0.999999999716 rho-rho_expected= 0.000000004548 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 95) Finished k-point number 96 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 92) Finished k-point number 93 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 98) Finished k-point number 99 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 58) Finished k-point number 59 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 66) Finished k-point number 67 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931259025789544 0.927902993501372 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 23) Finished k-point number 24 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0672567459072 Density= 16.0064016139292 16.0000000000000 EF 12.7951429137936 Density= 15.3816684981245 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96042574 0.94042574 0.640161E-02 -0.618332 1 0.96022080 0.94042574 0.935203E-03 -0.618332 2 0.96018579 0.96022080 -0.107557E-06 0.935203E-03 3 0.96018580 0.96018579 0.256932E-10 -0.107557E-06 Absolute convergence of |F(X)|. Difference in EF= -0.0032645974 EF set to : 13.0639921485 new EF (no-mixing): 13.0639921485 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001200 tlogG= -0.001246 logG= -0.002446 Density= 0.018979 ETOT(band)= 0.001243 trlgG= -0.001610 logG= -0.002446 TDE= -0.017387 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002392 tlogG= -0.002399 logG= -0.004791 Density= 0.037911 ETOT(band)= 0.002584 trlgG= -0.003024 logG= -0.004791 TDE= -0.034635 logGD-logG0= -0.009577 tlogG= -0.009511 logG= -0.019087 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 Density= 0.151738 ETOT(band)= 0.010206 trlgG= -0.012136 logG= -0.019087 TDE= -0.138746 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004784 tlogG= -0.004608 logG= -0.009392 Density= 0.075846 ETOT(band)= 0.005186 trlgG= -0.005835 logG= -0.009392 TDE= -0.069269 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002397 tlogG= -0.002075 logG= -0.004472 Density= 0.037484 ETOT(band)= 0.002640 trlgG= -0.002695 logG= -0.004472 TDE= -0.034215 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001565 tlogG= -0.001317 logG= -0.002882 Density= 0.022772 ETOT(band)= -0.000165 trlgG= -0.003493 logG= -0.002882 TDE= -0.022476 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004804 tlogG= -0.004186 logG= -0.008990 Density= 0.075528 ETOT(band)= 0.005243 trlgG= -0.005442 logG= -0.008990 TDE= -0.068973 logGD-logG0= -0.009602 tlogG= -0.008046 logG= -0.017648 Density= 0.150684 ETOT(band)= 0.010669 trlgG= -0.010355 logG= -0.017648 TDE= -0.137391 logGD-logG0= -0.009623 tlogG= -0.006673 logG= -0.016296 Density= 0.143874 ETOT(band)= 0.005047 trlgG= -0.014446 logG= -0.016296 TDE= -0.136296 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009606 tlogG= -0.008652 logG= -0.018259 Density= 0.150872 ETOT(band)= 0.010738 trlgG= -0.010914 logG= -0.018259 TDE= -0.137520 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009576 tlogG= -0.007787 logG= -0.017364 Density= 0.150092 ETOT(band)= 0.011128 trlgG= -0.009579 logG= -0.017364 TDE= -0.136331 logGD-logG0= -0.009617 tlogG= -0.008784 logG= -0.018401 Density= 0.151294 ETOT(band)= 0.010703 trlgG= -0.011047 logG= -0.018401 TDE= -0.137917 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019203 tlogG= -0.015868 logG= -0.035071 Density= 0.301517 ETOT(band)= 0.021257 trlgG= -0.020569 logG= -0.035071 TDE= -0.275010 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019179 tlogG= -0.014751 logG= -0.033930 Density= 0.299590 ETOT(band)= 0.021405 trlgG= -0.019085 logG= -0.033930 TDE= -0.272817 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009614 tlogG= -0.006627 logG= -0.016241 Density= 0.147456 ETOT(band)= 0.008680 trlgG= -0.010831 logG= -0.016241 TDE= -0.136176 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003125 tlogG= -0.002526 logG= -0.005651 Density= 0.045375 ETOT(band)= -0.000321 trlgG= -0.006905 logG= -0.005651 TDE= -0.044823 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003079 tlogG= -0.002602 logG= -0.005681 Density= 0.045869 ETOT(band)= 0.000583 trlgG= -0.005878 logG= -0.005681 TDE= -0.044240 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003107 tlogG= -0.002553 logG= -0.005660 Density= 0.045602 ETOT(band)= 0.000080 trlgG= -0.006438 logG= -0.005660 TDE= -0.044565 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009386 tlogG= -0.007455 logG= -0.016840 Density= 0.136731 ETOT(band)= -0.000651 trlgG= -0.020322 logG= -0.016840 TDE= -0.134768 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009378 tlogG= -0.007366 logG= -0.016744 Density= 0.136607 ETOT(band)= -0.000590 trlgG= -0.020180 logG= -0.016744 TDE= -0.134604 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009308 tlogG= -0.007360 logG= -0.016668 Density= 0.137304 ETOT(band)= 0.001089 trlgG= -0.018147 logG= -0.016668 TDE= -0.133317 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009396 tlogG= -0.006656 logG= -0.016052 Density= 0.137869 ETOT(band)= 0.000750 trlgG= -0.018247 logG= -0.016052 TDE= -0.134576 logGD-logG0= -0.009363 tlogG= -0.007294 logG= -0.016658 Density= 0.136654 ETOT(band)= -0.000196 trlgG= -0.019669 logG= -0.016658 TDE= -0.134225 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009679 tlogG= -0.007137 logG= -0.016816 Density= 0.147717 ETOT(band)= 0.009302 trlgG= -0.010809 logG= -0.016816 TDE= -0.135829 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009618 tlogG= -0.007550 logG= -0.017169 Density= 0.149107 ETOT(band)= 0.010967 trlgG= -0.009522 logG= -0.017169 TDE= -0.135524 logGD-logG0= -0.009368 tlogG= -0.006525 logG= -0.015892 Density= 0.137647 ETOT(band)= 0.001022 trlgG= -0.017759 logG= -0.015892 TDE= -0.134033 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009657 tlogG= -0.006512 logG= -0.016169 Density= 0.142424 ETOT(band)= 0.004290 trlgG= -0.014948 logG= -0.016169 TDE= -0.135532 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009450 tlogG= -0.005938 logG= -0.015388 Density= 0.138064 ETOT(band)= 0.001057 trlgG= -0.017269 logG= -0.015388 TDE= -0.134448 logGD-logG0= -0.009491 tlogG= -0.006360 logG= -0.015851 Density= 0.140235 ETOT(band)= 0.003369 trlgG= -0.015298 logG= -0.015851 TDE= -0.134100 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009343 tlogG= -0.007327 logG= -0.016670 Density= 0.136875 ETOT(band)= 0.000202 trlgG= -0.019198 logG= -0.016670 TDE= -0.133954 logGD-logG0= -0.009339 tlogG= -0.006818 logG= -0.016157 Density= 0.138987 ETOT(band)= 0.002960 trlgG= -0.015805 logG= -0.016157 TDE= -0.133101 logGD-logG0= -0.009404 tlogG= -0.006624 logG= -0.016028 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137817 ETOT(band)= 0.000776 trlgG= -0.018230 logG= -0.016028 TDE= -0.134532 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009559 tlogG= -0.006576 logG= -0.016135 Density= 0.143414 ETOT(band)= 0.006734 trlgG= -0.012303 logG= -0.016135 TDE= -0.133872 logGD-logG0= -0.009391 tlogG= -0.006841 logG= -0.016233 Density= 0.138421 ETOT(band)= 0.001675 trlgG= -0.017282 logG= -0.016233 TDE= -0.133960 logGD-logG0= -0.004755 tlogG= -0.002575 logG= -0.007330 Density= 0.065334 ETOT(band)= -0.002702 trlgG= -0.011310 logG= -0.007330 TDE= -0.066713 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004742 tlogG= -0.003096 logG= -0.007838 Density= 0.067609 ETOT(band)= -0.001190 trlgG= -0.010455 logG= -0.007838 TDE= -0.067535 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009493 tlogG= -0.006015 logG= -0.015508 Density= 0.135892 ETOT(band)= -0.001374 trlgG= -0.019748 logG= -0.015508 TDE= -0.134721 logGD-logG0= -0.009473 tlogG= -0.005628 logG= -0.015101 Density= 0.133869 ETOT(band)= -0.002933 trlgG= -0.020842 logG= -0.015101 TDE= -0.134280 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009431 tlogG= -0.005618 logG= -0.015049 Density= 0.136944 ETOT(band)= 0.000475 trlgG= -0.017515 logG= -0.015049 TDE= -0.133958 logGD-logG0= -0.009467 tlogG= -0.006138 logG= -0.015605 Density= 0.138619 ETOT(band)= 0.001579 trlgG= -0.016886 logG= -0.015605 TDE= -0.134381 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009389 tlogG= -0.006851 logG= -0.016239 Density= 0.137482 ETOT(band)= 0.000296 trlgG= -0.018903 logG= -0.016239 TDE= -0.134672 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018872 tlogG= -0.011960 logG= -0.030833 Density= 0.277876 ETOT(band)= 0.004075 trlgG= -0.032727 logG= -0.030833 TDE= -0.268706 logGD-logG0= -0.009701 tlogG= -0.006520 logG= -0.016221 Density= 0.143100 ETOT(band)= 0.004428 trlgG= -0.014971 logG= -0.016221 TDE= -0.136153 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019364 tlogG= -0.012768 logG= -0.032132 Density= 0.285066 ETOT(band)= 0.008293 trlgG= -0.030093 logG= -0.032132 TDE= -0.271677 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018973 tlogG= -0.010846 logG= -0.029819 Density= 0.271648 ETOT(band)= -0.001754 trlgG= -0.037388 logG= -0.029819 TDE= -0.268402 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018766 tlogG= -0.013705 logG= -0.032472 Density= 0.275129 ETOT(band)= 0.001214 trlgG= -0.037045 logG= -0.032472 TDE= -0.268748 logGD-logG0= -0.018873 tlogG= -0.012259 logG= -0.031133 Density= 0.277999 ETOT(band)= 0.004488 trlgG= -0.032451 logG= -0.031133 TDE= -0.268249 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019126 tlogG= -0.012062 logG= -0.031188 logGD-logG0= -0.019404 tlogG= -0.012758 logG= -0.032162 Density= 0.289540 ETOT(band)= 0.014914 trlgG= -0.023365 logG= -0.032162 TDE= -0.269216 logGD-logG0= -0.019064 tlogG= -0.010173 logG= -0.029236 Density= 0.263910 ETOT(band)= -0.008396 trlgG= -0.043117 logG= -0.029236 TDE= -0.267284 Density= 0.281386 ETOT(band)= 0.006916 trlgG= -0.030260 logG= -0.031188 TDE= -0.269255 logGD-logG0= -0.018893 tlogG= -0.012117 logG= -0.031009 Density= 0.278180 ETOT(band)= 0.004080 trlgG= -0.032939 logG= -0.031009 TDE= -0.269035 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018806 tlogG= -0.012351 logG= -0.031157 Density= 0.278869 ETOT(band)= 0.006506 trlgG= -0.030259 logG= -0.031157 TDE= -0.266867 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018995 tlogG= -0.011453 logG= -0.030448 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.275449 ETOT(band)= 0.001369 trlgG= -0.034857 logG= -0.030448 TDE= -0.268891 logGD-logG0= -0.004834 tlogG= -0.003570 logG= -0.008404 Density= 0.074872 ETOT(band)= 0.005155 trlgG= -0.004899 logG= -0.008404 TDE= -0.068386 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018798 tlogG= -0.011639 logG= -0.030437 Density= 0.276570 ETOT(band)= 0.004091 trlgG= -0.032128 logG= -0.030437 TDE= -0.267249 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019012 tlogG= -0.011684 logG= -0.030696 Density= 0.270283 ETOT(band)= -0.004283 trlgG= -0.040729 logG= -0.030696 TDE= -0.269554 logGD-logG0= -0.000384 tlogG= 0.008634 logG= 0.008250 Density= 0.005716 ETOT(band)= 0.000064 trlgG= 0.008209 logG= 0.008250 TDE= -0.005529 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018697 tlogG= -0.013757 logG= -0.032455 Density= 0.275762 ETOT(band)= 0.003011 trlgG= -0.034837 logG= -0.032455 TDE= -0.267165 logGD-logG0= -0.009579 tlogG= -0.004870 logG= -0.014449 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 Density= 0.130787 ETOT(band)= -0.005352 trlgG= -0.022517 logG= -0.014449 TDE= -0.133647 logGD-logG0= -0.019084 tlogG= -0.010459 logG= -0.029543 Density= 0.278342 ETOT(band)= 0.004964 trlgG= -0.030432 logG= -0.029543 TDE= -0.268149 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009500 tlogG= -0.005459 logG= -0.014959 Density= 0.133151 ETOT(band)= -0.003606 trlgG= -0.021309 logG= -0.014959 TDE= -0.134200 logGD-logG0= -0.019165 tlogG= -0.011148 logG= -0.030313 Density= 0.278302 ETOT(band)= 0.003959 trlgG= -0.032268 logG= -0.030313 TDE= -0.269176 logGD-logG0= -0.019228 tlogG= -0.011911 logG= -0.031139 Density= 0.280196 ETOT(band)= 0.004466 trlgG= -0.032761 logG= -0.031139 TDE= -0.270662 logGD-logG0= -0.009568 tlogG= -0.005199 logG= -0.014767 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.140035 ETOT(band)= 0.003048 trlgG= -0.014701 logG= -0.014767 TDE= -0.134394 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019104 tlogG= -0.010085 logG= -0.029189 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.267243 ETOT(band)= -0.005945 trlgG= -0.040681 logG= -0.029189 TDE= -0.268095 logGD-logG0= -0.009717 tlogG= -0.005977 logG= -0.015693 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.144035 ETOT(band)= 0.006503 trlgG= -0.012244 logG= -0.015693 TDE= -0.134851 logGD-logG0= -0.019020 tlogG= -0.010534 logG= -0.029554 Density= 0.274875 ETOT(band)= 0.002489 trlgG= -0.032828 logG= -0.029554 TDE= -0.267205 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009526 tlogG= -0.005273 logG= -0.014799 Density= 0.137002 ETOT(band)= 0.000050 trlgG= -0.017528 logG= -0.014799 TDE= -0.134276 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019059 tlogG= -0.010604 logG= -0.029663 Density= 0.272558 ETOT(band)= -0.001457 trlgG= -0.036773 logG= -0.029663 TDE= -0.268817 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009515 tlogG= -0.005491 logG= -0.015005 Density= 0.135948 ETOT(band)= -0.001163 trlgG= -0.018882 logG= -0.015005 TDE= -0.134412 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009507 tlogG= -0.005137 logG= -0.014644 Density= 0.136516 ETOT(band)= -0.000311 trlgG= -0.017642 logG= -0.014644 TDE= -0.134078 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004762 tlogG= -0.002655 logG= -0.007417 Density= 0.068648 ETOT(band)= 0.000112 trlgG= -0.008741 logG= -0.007417 TDE= -0.067239 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002418 tlogG= -0.001868 logG= -0.004286 Density= 0.036969 ETOT(band)= 0.002629 trlgG= -0.002446 logG= -0.004286 TDE= -0.033657 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009265 tlogG= -0.008816 logG= -0.018081 Density= 0.139380 ETOT(band)= 0.003676 trlgG= -0.016835 logG= -0.018081 TDE= -0.132586 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002318 tlogG= -0.002345 logG= -0.004663 Density= 0.034868 ETOT(band)= 0.000935 trlgG= -0.004365 logG= -0.004663 TDE= -0.033182 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009360 tlogG= -0.007405 logG= -0.016764 Density= 0.137542 ETOT(band)= 0.001638 trlgG= -0.017652 logG= -0.016764 TDE= -0.132953 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009315 tlogG= -0.007753 logG= -0.017068 Density= 0.138539 ETOT(band)= 0.002883 trlgG= -0.016558 logG= -0.017068 TDE= -0.132514 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009381 tlogG= -0.007329 logG= -0.016710 logGD-logG0= -0.009612 tlogG= -0.007184 logG= -0.016796 Density= 0.140935 ETOT(band)= 0.005221 trlgG= -0.014157 logG= -0.016710 TDE= -0.132771 Density= 0.144764 ETOT(band)= 0.008321 trlgG= -0.011281 logG= -0.016796 TDE= -0.133485 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002365 tlogG= -0.001971 logG= -0.004336 Density= 0.035779 ETOT(band)= 0.001751 trlgG= -0.003247 logG= -0.004336 TDE= -0.033265 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009329 tlogG= -0.008435 logG= -0.017764 Density= 0.140803 ETOT(band)= 0.005023 trlgG= -0.015308 logG= -0.017764 TDE= -0.132741 logGD-logG0= -0.004650 tlogG= -0.004022 logG= -0.008671 Density= 0.069916 ETOT(band)= 0.002140 trlgG= -0.007772 logG= -0.008671 TDE= -0.066233 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009417 tlogG= -0.006351 logG= -0.015768 Density= 0.137445 ETOT(band)= 0.001737 trlgG= -0.016848 logG= -0.015768 TDE= -0.133052 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009529 tlogG= -0.005323 logG= -0.014852 Density= 0.133849 ETOT(band)= -0.001783 trlgG= -0.019416 logG= -0.014852 TDE= -0.133085 logGD-logG0= -0.009297 tlogG= -0.007981 logG= -0.017278 Density= 0.138801 ETOT(band)= 0.003258 trlgG= -0.016444 logG= -0.017278 TDE= -0.132440 logGD-logG0= -0.009369 tlogG= -0.006886 logG= -0.016255 Density= 0.139326 ETOT(band)= 0.003934 trlgG= -0.014907 logG= -0.016255 TDE= -0.132431 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004740 tlogG= -0.002824 logG= -0.007564 Density= 0.068475 ETOT(band)= 0.000875 trlgG= -0.008077 logG= -0.007564 TDE= -0.066261 logGD-logG0= -0.018639 tlogG= -0.015765 logG= -0.034404 Density= 0.280303 ETOT(band)= 0.009059 trlgG= -0.030346 logG= -0.034404 TDE= -0.265085 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009264 tlogG= -0.009047 logG= -0.018310 Density= 0.139573 ETOT(band)= 0.003864 trlgG= -0.016944 logG= -0.018310 TDE= -0.132649 logGD-logG0= -0.018976 tlogG= -0.013239 logG= -0.032216 Density= 0.284558 ETOT(band)= 0.012644 trlgG= -0.025269 logG= -0.032216 TDE= -0.266282 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009726 tlogG= -0.006721 logG= -0.016447 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.145724 ETOT(band)= 0.008862 trlgG= -0.010706 logG= -0.016447 TDE= -0.134181 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009568 tlogG= -0.005009 logG= -0.014577 Density= 0.130574 ETOT(band)= -0.004852 trlgG= -0.022129 logG= -0.014577 TDE= -0.132927 logGD-logG0= -0.018749 tlogG= -0.013979 logG= -0.032727 Density= 0.277510 ETOT(band)= 0.006262 trlgG= -0.031546 logG= -0.032727 TDE= -0.265280 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009591 tlogG= -0.005696 logG= -0.015287 Density= 0.141513 ETOT(band)= 0.005494 trlgG= -0.012814 logG= -0.015287 TDE= -0.133407 logGD-logG0= -0.009425 tlogG= -0.007531 logG= -0.016956 Density= 0.142392 ETOT(band)= 0.006489 trlgG= -0.013133 logG= -0.016956 TDE= -0.132900 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018912 tlogG= -0.011697 logG= -0.030610 Density= 0.277106 ETOT(band)= 0.006122 trlgG= -0.030153 logG= -0.030610 TDE= -0.265617 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009405 tlogG= -0.006669 logG= -0.016074 Density= 0.140776 ETOT(band)= 0.005311 trlgG= -0.013540 logG= -0.016074 TDE= -0.132637 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003108 tlogG= 0.069879 logG= 0.066771 Density= 0.046264 ETOT(band)= 0.001053 trlgG= 0.067023 logG= 0.066771 TDE= -0.044170 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003088 tlogG= 0.069481 logG= 0.066392 Density= 0.046193 ETOT(band)= 0.000953 trlgG= 0.066528 logG= 0.066392 TDE= -0.044218 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003078 tlogG= 0.069197 logG= 0.066119 Density= 0.045844 ETOT(band)= 0.000634 trlgG= 0.065910 logG= 0.066119 TDE= -0.044228 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009260 tlogG= 0.208461 logG= 0.199201 Density= 0.138552 ETOT(band)= 0.002893 trlgG= 0.199561 logG= 0.199201 TDE= -0.132677 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004622 tlogG= 0.104047 logG= 0.099424 Density= 0.069131 ETOT(band)= 0.001280 trlgG= 0.099463 logG= 0.099424 TDE= -0.066341 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009296 tlogG= 0.209163 logG= 0.199867 Density= 0.139052 ETOT(band)= 0.003415 trlgG= 0.200785 logG= 0.199867 TDE= -0.132598 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002309 tlogG= 0.051917 logG= 0.049608 Density= 0.034445 ETOT(band)= 0.000525 trlgG= 0.049507 logG= 0.049608 TDE= -0.033174 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.59861462371423 eV TrLogG= -13.7037710986419 eV Ratio to renormalize= 0.999999999717 rho-rho_expected= 0.000000004524 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 91) Finished k-point number 92 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 94) Finished k-point number 95 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 84) Finished k-point number 85 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 88) Finished k-point number 89 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 47) Finished k-point number 48 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 28) Finished k-point number 29 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 68) Finished k-point number 69 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 62) Finished k-point number 63 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 77) Finished k-point number 78 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 78) Finished k-point number 79 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931260178129785 0.927904087691018 87) Finished k-point number 88 1 with #bands= 18 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 88) Finished k-point number 89 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 8) Finished k-point number 9 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 55) Finished k-point number 56 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 26 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 26) Finished k-point number 27 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 98) Finished k-point number 99 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0639921485203 Density= 16.0011332180244 16.0000000000000 EF 12.7918783164068 Density= 15.3747832272190 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96018580 0.94018580 0.113322E-02 -0.625217 1 0.96014961 0.94018580 0.166727E-03 -0.625217 2 0.96014337 0.96014961 -0.376473E-08 0.166727E-03 3 0.96014337 0.96014337 0.152767E-12 -0.376473E-08 Absolute convergence of |F(X)|. Difference in EF= -0.0005772240 EF set to : 13.0634149245 new EF (no-mixing): 13.0634149245 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001200 tlogG= -0.001246 logG= -0.002446 Density= 0.018980 ETOT(band)= 0.001243 trlgG= -0.001610 logG= -0.002446 TDE= -0.017387 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002392 tlogG= -0.002398 logG= -0.004791 Density= 0.037912 ETOT(band)= 0.002583 trlgG= -0.003025 logG= -0.004791 TDE= -0.034635 logGD-logG0= -0.009576 tlogG= -0.009511 logG= -0.019087 Density= 0.151742 ETOT(band)= 0.010204 trlgG= -0.012137 logG= -0.019087 TDE= -0.138744 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004784 tlogG= -0.004608 logG= -0.009392 Density= 0.075848 ETOT(band)= 0.005185 trlgG= -0.005836 logG= -0.009392 TDE= -0.069268 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002397 tlogG= -0.002075 logG= -0.004472 Density= 0.037485 ETOT(band)= 0.002640 trlgG= -0.002695 logG= -0.004472 TDE= -0.034214 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001566 tlogG= -0.001316 logG= -0.002882 Density= 0.022772 ETOT(band)= -0.000165 trlgG= -0.003493 logG= -0.002882 TDE= -0.022476 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009606 tlogG= -0.008652 logG= -0.018258 Density= 0.150876 ETOT(band)= 0.010736 trlgG= -0.010914 logG= -0.018258 TDE= -0.137518 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009623 tlogG= -0.006676 logG= -0.016299 Density= 0.143874 ETOT(band)= 0.005043 trlgG= -0.014453 logG= -0.016299 TDE= -0.136294 logGD-logG0= -0.009602 tlogG= -0.008046 logG= -0.017648 Density= 0.150687 ETOT(band)= 0.010668 trlgG= -0.010355 logG= -0.017648 TDE= -0.137389 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004804 tlogG= -0.004186 logG= -0.008990 Density= 0.075531 ETOT(band)= 0.005242 trlgG= -0.005442 logG= -0.008990 TDE= -0.068972 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009617 tlogG= -0.008784 logG= -0.018401 Density= 0.151298 ETOT(band)= 0.010701 trlgG= -0.011048 logG= -0.018401 TDE= -0.137915 logGD-logG0= -0.009576 tlogG= -0.007787 logG= -0.017363 Density= 0.150096 ETOT(band)= 0.011127 trlgG= -0.009579 logG= -0.017363 TDE= -0.136329 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019203 tlogG= -0.015870 logG= -0.035073 Density= 0.301524 ETOT(band)= 0.021253 trlgG= -0.020573 logG= -0.035073 TDE= -0.275007 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019179 tlogG= -0.014750 logG= -0.033929 Density= 0.299600 ETOT(band)= 0.021404 trlgG= -0.019084 logG= -0.033929 TDE= -0.272814 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009614 tlogG= -0.006627 logG= -0.016240 Density= 0.147458 ETOT(band)= 0.008676 trlgG= -0.010833 logG= -0.016240 TDE= -0.136174 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003125 tlogG= -0.002527 logG= -0.005652 Density= 0.045376 ETOT(band)= -0.000322 trlgG= -0.006907 logG= -0.005652 TDE= -0.044823 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003079 tlogG= -0.002603 logG= -0.005681 Density= 0.045870 ETOT(band)= 0.000582 trlgG= -0.005880 logG= -0.005681 TDE= -0.044239 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003107 tlogG= -0.002553 logG= -0.005660 Density= 0.045602 ETOT(band)= 0.000079 trlgG= -0.006439 logG= -0.005660 TDE= -0.044564 logGD-logG0= -0.009387 tlogG= -0.007454 logG= -0.016841 Density= 0.136733 ETOT(band)= -0.000654 trlgG= -0.020326 logG= -0.016841 TDE= -0.134768 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009378 tlogG= -0.007367 logG= -0.016745 Density= 0.136609 ETOT(band)= -0.000593 trlgG= -0.020184 logG= -0.016745 TDE= -0.134603 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009364 tlogG= -0.007295 logG= -0.016658 Density= 0.136656 ETOT(band)= -0.000200 trlgG= -0.019673 logG= -0.016658 TDE= -0.134224 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009396 tlogG= -0.006658 logG= -0.016055 Density= 0.137870 ETOT(band)= 0.000744 trlgG= -0.018255 logG= -0.016055 TDE= -0.134575 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009679 tlogG= -0.007137 logG= -0.016816 Density= 0.147717 ETOT(band)= 0.009296 trlgG= -0.010814 logG= -0.016816 TDE= -0.135827 logGD-logG0= -0.009447 tlogG= -0.005934 logG= -0.015380 Density= 0.138062 ETOT(band)= 0.001048 trlgG= -0.017268 logG= -0.015380 TDE= -0.134447 logGD-logG0= -0.009307 tlogG= -0.007358 logG= -0.016665 Density= 0.137307 ETOT(band)= 0.001085 trlgG= -0.018147 logG= -0.016665 TDE= -0.133316 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009342 tlogG= -0.007326 logG= -0.016668 Density= 0.136878 ETOT(band)= 0.000198 trlgG= -0.019199 logG= -0.016668 TDE= -0.133953 logGD-logG0= -0.009618 tlogG= -0.007550 logG= -0.017168 Density= 0.149111 ETOT(band)= 0.010966 trlgG= -0.009523 logG= -0.017168 TDE= -0.135522 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009657 tlogG= -0.006511 logG= -0.016167 Density= 0.142420 ETOT(band)= 0.004282 trlgG= -0.014954 logG= -0.016167 TDE= -0.135530 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009405 tlogG= -0.006624 logG= -0.016029 logGD-logG0= -0.009391 tlogG= -0.006840 logG= -0.016231 Density= 0.138423 ETOT(band)= 0.001671 trlgG= -0.017284 logG= -0.016231 TDE= -0.133959 Density= 0.137818 ETOT(band)= 0.000773 trlgG= -0.018234 logG= -0.016029 TDE= -0.134531 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009473 tlogG= -0.005629 logG= -0.015102 logGD-logG0= -0.009490 tlogG= -0.006357 logG= -0.015847 Density= 0.140233 ETOT(band)= 0.003361 trlgG= -0.015302 logG= -0.015847 TDE= -0.134098 Density= 0.133875 ETOT(band)= -0.002932 trlgG= -0.020842 logG= -0.015102 TDE= -0.134279 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009339 tlogG= -0.006818 logG= -0.016157 Density= 0.138987 ETOT(band)= 0.002955 trlgG= -0.015810 logG= -0.016157 TDE= -0.133100 logGD-logG0= -0.004755 tlogG= -0.002574 logG= -0.007329 Density= 0.065333 ETOT(band)= -0.002707 trlgG= -0.011313 logG= -0.007329 TDE= -0.066713 logGD-logG0= -0.009368 tlogG= -0.006526 logG= -0.015893 Density= 0.137648 ETOT(band)= 0.001019 trlgG= -0.017763 logG= -0.015893 TDE= -0.134032 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009430 tlogG= -0.005620 logG= -0.015050 Density= 0.136943 ETOT(band)= 0.000468 trlgG= -0.017522 logG= -0.015050 TDE= -0.133957 logGD-logG0= -0.004742 tlogG= -0.003097 logG= -0.007840 Density= 0.067614 ETOT(band)= -0.001188 trlgG= -0.010455 logG= -0.007840 TDE= -0.067534 logGD-logG0= -0.009559 tlogG= -0.006574 logG= -0.016133 Density= 0.143414 ETOT(band)= 0.006729 trlgG= -0.012305 logG= -0.016133 TDE= -0.133870 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009494 tlogG= -0.006018 logG= -0.015512 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.135895 ETOT(band)= -0.001377 trlgG= -0.019753 logG= -0.015512 TDE= -0.134720 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009388 tlogG= -0.006855 logG= -0.016243 Density= 0.137482 ETOT(band)= 0.000290 trlgG= -0.018912 logG= -0.016243 TDE= -0.134671 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009467 tlogG= -0.006138 logG= -0.015604 Density= 0.138618 ETOT(band)= 0.001573 trlgG= -0.016891 logG= -0.015604 TDE= -0.134379 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018873 tlogG= -0.011963 logG= -0.030837 Density= 0.277878 ETOT(band)= 0.004068 trlgG= -0.032738 logG= -0.030837 TDE= -0.268704 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009700 tlogG= -0.006520 logG= -0.016221 Density= 0.143092 ETOT(band)= 0.004416 trlgG= -0.014983 logG= -0.016221 TDE= -0.136151 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019364 tlogG= -0.012769 logG= -0.032133 Density= 0.285059 ETOT(band)= 0.008276 trlgG= -0.030110 logG= -0.032133 TDE= -0.271675 logGD-logG0= -0.018973 tlogG= -0.010846 logG= -0.029819 Density= 0.271643 ETOT(band)= -0.001770 trlgG= -0.037402 logG= -0.029819 TDE= -0.268399 logGD-logG0= -0.018767 tlogG= -0.013708 logG= -0.032475 Density= 0.275132 ETOT(band)= 0.001207 trlgG= -0.037054 logG= -0.032475 TDE= -0.268746 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018994 tlogG= -0.011454 logG= -0.030448 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.275444 ETOT(band)= 0.001353 trlgG= -0.034871 logG= -0.030448 TDE= -0.268889 logGD-logG0= -0.000384 tlogG= 0.008633 logG= 0.008249 Density= 0.005716 ETOT(band)= 0.000064 trlgG= 0.008209 logG= 0.008249 TDE= -0.005529 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.018807 tlogG= -0.012354 logG= -0.031161 logGD-logG0= -0.019065 tlogG= -0.010175 logG= -0.029240 Density= 0.263907 ETOT(band)= -0.008408 trlgG= -0.043133 logG= -0.029240 TDE= -0.267282 logGD-logG0= -0.018892 tlogG= -0.012112 logG= -0.031004 Density= 0.278181 ETOT(band)= 0.004071 trlgG= -0.032943 logG= -0.031004 TDE= -0.269032 Density= 0.278866 ETOT(band)= 0.006493 trlgG= -0.030274 logG= -0.031161 TDE= -0.266865 logGD-logG0= -0.004834 tlogG= -0.003570 logG= -0.008404 Density= 0.074873 ETOT(band)= 0.005154 trlgG= -0.004899 logG= -0.008404 TDE= -0.068385 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019085 tlogG= -0.010463 logG= -0.029548 Density= 0.278352 ETOT(band)= 0.004964 trlgG= -0.030436 logG= -0.029548 TDE= -0.268146 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019127 tlogG= -0.012066 logG= -0.031193 Density= 0.281384 ETOT(band)= 0.006903 trlgG= -0.030277 logG= -0.031193 TDE= -0.269253 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018698 tlogG= -0.013754 logG= -0.032452 Density= 0.275764 ETOT(band)= 0.003002 trlgG= -0.034842 logG= -0.032452 TDE= -0.267163 logGD-logG0= -0.018875 tlogG= -0.012265 logG= -0.031139 Density= 0.278000 ETOT(band)= 0.004479 trlgG= -0.032467 logG= -0.031139 TDE= -0.268247 logGD-logG0= -0.009499 tlogG= -0.005454 logG= -0.014952 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009579 tlogG= -0.004869 logG= -0.014448 Density= 0.133140 ETOT(band)= -0.003623 trlgG= -0.021318 logG= -0.014952 TDE= -0.134200 Density= 0.130781 ETOT(band)= -0.005363 trlgG= -0.022525 logG= -0.014448 TDE= -0.133646 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019404 tlogG= -0.012757 logG= -0.032161 Density= 0.289540 ETOT(band)= 0.014903 trlgG= -0.023374 logG= -0.032161 TDE= -0.269213 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018795 tlogG= -0.011639 logG= -0.030433 Density= 0.276570 ETOT(band)= 0.004078 trlgG= -0.032133 logG= -0.030433 TDE= -0.267247 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019011 tlogG= -0.011681 logG= -0.030692 Density= 0.270279 ETOT(band)= -0.004298 trlgG= -0.040737 logG= -0.030692 TDE= -0.269553 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009717 tlogG= -0.005976 logG= -0.015693 Density= 0.144033 ETOT(band)= 0.006496 trlgG= -0.012251 logG= -0.015693 TDE= -0.134850 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009568 tlogG= -0.005200 logG= -0.014768 Density= 0.140033 ETOT(band)= 0.003041 trlgG= -0.014708 logG= -0.014768 TDE= -0.134392 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019228 tlogG= -0.011913 logG= -0.031141 Density= 0.280195 ETOT(band)= 0.004455 trlgG= -0.032773 logG= -0.031141 TDE= -0.270659 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019019 tlogG= -0.010537 logG= -0.029557 Density= 0.274862 ETOT(band)= 0.002466 trlgG= -0.032852 logG= -0.029557 TDE= -0.267202 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019104 tlogG= -0.010087 logG= -0.029191 Density= 0.267242 ETOT(band)= -0.005957 trlgG= -0.040693 logG= -0.029191 TDE= -0.268093 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019163 tlogG= -0.011145 logG= -0.030308 Density= 0.278290 ETOT(band)= 0.003937 trlgG= -0.032284 logG= -0.030308 TDE= -0.269174 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019060 tlogG= -0.010607 logG= -0.029667 Density= 0.272553 ETOT(band)= -0.001472 trlgG= -0.036791 logG= -0.029667 TDE= -0.268814 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009507 tlogG= -0.005137 logG= -0.014644 Density= 0.136517 ETOT(band)= -0.000315 trlgG= -0.017644 logG= -0.014644 TDE= -0.134077 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009516 tlogG= -0.005494 logG= -0.015010 Density= 0.135947 ETOT(band)= -0.001168 trlgG= -0.018893 logG= -0.015010 TDE= -0.134412 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004762 tlogG= -0.002655 logG= -0.007417 logGD-logG0= -0.009526 tlogG= -0.005273 logG= -0.014799 Density= 0.137001 ETOT(band)= 0.000044 trlgG= -0.017534 logG= -0.014799 TDE= -0.134275 Density= 0.068648 ETOT(band)= 0.000109 trlgG= -0.008744 logG= -0.007417 TDE= -0.067239 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002418 tlogG= -0.001868 logG= -0.004286 Density= 0.036970 ETOT(band)= 0.002629 trlgG= -0.002447 logG= -0.004286 TDE= -0.033657 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009265 tlogG= -0.008817 logG= -0.018081 Density= 0.139381 ETOT(band)= 0.003671 trlgG= -0.016840 logG= -0.018081 TDE= -0.132585 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002318 tlogG= -0.002345 logG= -0.004663 Density= 0.034868 ETOT(band)= 0.000934 trlgG= -0.004367 logG= -0.004663 TDE= -0.033182 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002365 tlogG= -0.001971 logG= -0.004336 Density= 0.035778 ETOT(band)= 0.001750 trlgG= -0.003248 logG= -0.004336 TDE= -0.033264 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009361 tlogG= -0.007405 logG= -0.016766 Density= 0.137544 ETOT(band)= 0.001635 trlgG= -0.017656 logG= -0.016766 TDE= -0.132952 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009297 tlogG= -0.007978 logG= -0.017275 Density= 0.138802 ETOT(band)= 0.003254 trlgG= -0.016445 logG= -0.017275 TDE= -0.132439 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004650 tlogG= -0.004023 logG= -0.008673 Density= 0.069916 ETOT(band)= 0.002137 trlgG= -0.007776 logG= -0.008673 TDE= -0.066232 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009329 tlogG= -0.008434 logG= -0.017764 Density= 0.140803 ETOT(band)= 0.005018 trlgG= -0.015312 logG= -0.017764 TDE= -0.132740 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009612 tlogG= -0.007184 logG= -0.016795 Density= 0.144763 ETOT(band)= 0.008314 trlgG= -0.011286 logG= -0.016795 TDE= -0.133484 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009369 tlogG= -0.006888 logG= -0.016257 Density= 0.139326 ETOT(band)= 0.003928 trlgG= -0.014914 logG= -0.016257 TDE= -0.132430 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009315 tlogG= -0.007752 logG= -0.017067 Density= 0.138540 ETOT(band)= 0.002878 trlgG= -0.016561 logG= -0.017067 TDE= -0.132513 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009381 tlogG= -0.007329 logG= -0.016710 Density= 0.140935 ETOT(band)= 0.005215 trlgG= -0.014162 logG= -0.016710 TDE= -0.132770 logGD-logG0= -0.009529 tlogG= -0.005325 logG= -0.014853 Density= 0.133852 ETOT(band)= -0.001785 trlgG= -0.019420 logG= -0.014853 TDE= -0.133084 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018637 tlogG= -0.015764 logG= -0.034401 Density= 0.280304 ETOT(band)= 0.009047 trlgG= -0.030352 logG= -0.034401 TDE= -0.265083 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009418 tlogG= -0.006354 logG= -0.015773 Density= 0.137448 ETOT(band)= 0.001735 trlgG= -0.016854 logG= -0.015773 TDE= -0.133051 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004740 tlogG= -0.002824 logG= -0.007564 logGD-logG0= -0.018977 tlogG= -0.013241 logG= -0.032218 Density= 0.068471 ETOT(band)= 0.000869 trlgG= -0.008083 logG= -0.007564 TDE= -0.066261 Density= 0.284554 ETOT(band)= 0.012631 trlgG= -0.025284 logG= -0.032218 TDE= -0.266279 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009264 tlogG= -0.009047 logG= -0.018311 Density= 0.139574 ETOT(band)= 0.003859 trlgG= -0.016948 logG= -0.018311 TDE= -0.132648 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009726 tlogG= -0.006721 logG= -0.016447 Density= 0.145725 ETOT(band)= 0.008858 trlgG= -0.010710 logG= -0.016447 TDE= -0.134180 logGD-logG0= -0.009591 tlogG= -0.005695 logG= -0.015287 Density= 0.141510 ETOT(band)= 0.005486 trlgG= -0.012822 logG= -0.015287 TDE= -0.133405 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009568 tlogG= -0.005010 logG= -0.014578 Density= 0.130571 ETOT(band)= -0.004860 trlgG= -0.022137 logG= -0.014578 TDE= -0.132926 logGD-logG0= -0.009425 tlogG= -0.007531 logG= -0.016956 Density= 0.142391 ETOT(band)= 0.006483 trlgG= -0.013139 logG= -0.016956 TDE= -0.132898 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018747 tlogG= -0.013979 logG= -0.032726 Density= 0.277510 ETOT(band)= 0.006250 trlgG= -0.031554 logG= -0.032726 TDE= -0.265278 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018908 tlogG= -0.011691 logG= -0.030599 Density= 0.277096 ETOT(band)= 0.006098 trlgG= -0.030162 logG= -0.030599 TDE= -0.265615 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009405 tlogG= -0.006670 logG= -0.016075 Density= 0.140776 ETOT(band)= 0.005306 trlgG= -0.013546 logG= -0.016075 TDE= -0.132636 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003078 tlogG= 0.069194 logG= 0.066116 Density= 0.045845 ETOT(band)= 0.000633 trlgG= 0.065905 logG= 0.066116 TDE= -0.044228 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003108 tlogG= 0.069876 logG= 0.066768 Density= 0.046264 ETOT(band)= 0.001052 trlgG= 0.067019 logG= 0.066768 TDE= -0.044170 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002309 tlogG= 0.051915 logG= 0.049606 Density= 0.034446 ETOT(band)= 0.000524 trlgG= 0.049504 logG= 0.049606 TDE= -0.033174 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009260 tlogG= 0.208451 logG= 0.199191 Density= 0.138554 ETOT(band)= 0.002888 trlgG= 0.199547 logG= 0.199191 TDE= -0.132676 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004622 tlogG= 0.104043 logG= 0.099421 Density= 0.069132 ETOT(band)= 0.001277 trlgG= 0.099458 logG= 0.099421 TDE= -0.066340 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009297 tlogG= 0.209151 logG= 0.199854 Density= 0.139053 ETOT(band)= 0.003411 trlgG= 0.200768 logG= 0.199854 TDE= -0.132597 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003088 tlogG= 0.069478 logG= 0.066389 Density= 0.046193 ETOT(band)= 0.000951 trlgG= 0.066524 logG= 0.066389 TDE= -0.044218 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.59011628055459 eV TrLogG= -13.7118750233041 eV Ratio to renormalize= 0.999999999719 rho-rho_expected= 0.000000004498 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 23) Finished k-point number 24 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 30) Finished k-point number 31 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 89) Finished k-point number 90 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 91) Finished k-point number 92 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 95) Finished k-point number 96 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 33) Finished k-point number 34 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931270173954413 0.927894242970195 7) Finished k-point number 8 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 93) Finished k-point number 94 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 95) Finished k-point number 96 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 41) Finished k-point number 42 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 22) Finished k-point number 23 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 52) Finished k-point number 53 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 68) Finished k-point number 69 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 75) Finished k-point number 76 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 98) Finished k-point number 99 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0634149244806 Density= 16.0020693401690 16.0000000000000 EF 12.7913010923670 Density= 15.3763995872552 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96014337 0.94014337 0.206934E-02 -0.623600 1 0.96007723 0.94014337 0.303542E-03 -0.623600 2 0.96006586 0.96007723 -0.122573E-07 0.303542E-03 3 0.96006586 0.96006586 0.941469E-12 -0.122573E-07 Absolute convergence of |F(X)|. Difference in EF= -0.0010546167 EF set to : 13.0623603078 new EF (no-mixing): 13.0623603078 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001200 tlogG= -0.001246 logG= -0.002446 Density= 0.018980 ETOT(band)= 0.001242 trlgG= -0.001610 logG= -0.002446 TDE= -0.017386 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009576 tlogG= -0.009510 logG= -0.019086 Density= 0.151748 ETOT(band)= 0.010200 trlgG= -0.012138 logG= -0.019086 TDE= -0.138741 logGD-logG0= -0.002392 tlogG= -0.002398 logG= -0.004791 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 Density= 0.037914 ETOT(band)= 0.002582 trlgG= -0.003025 logG= -0.004791 TDE= -0.034634 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004784 tlogG= -0.004608 logG= -0.009391 Density= 0.075851 ETOT(band)= 0.005183 trlgG= -0.005836 logG= -0.009391 TDE= -0.069267 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002397 tlogG= -0.002075 logG= -0.004472 Density= 0.037488 ETOT(band)= 0.002640 trlgG= -0.002695 logG= -0.004472 TDE= -0.034214 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004804 tlogG= -0.004186 logG= -0.008989 Density= 0.075534 ETOT(band)= 0.005241 trlgG= -0.005442 logG= -0.008989 TDE= -0.068971 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001566 tlogG= -0.001316 logG= -0.002882 Density= 0.022773 ETOT(band)= -0.000166 trlgG= -0.003494 logG= -0.002882 TDE= -0.022475 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009623 tlogG= -0.006674 logG= -0.016296 Density= 0.143866 ETOT(band)= 0.005025 trlgG= -0.014467 logG= -0.016296 TDE= -0.136291 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009602 tlogG= -0.008046 logG= -0.017647 Density= 0.150695 ETOT(band)= 0.010665 trlgG= -0.010356 logG= -0.017647 TDE= -0.137386 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009606 tlogG= -0.008651 logG= -0.018257 Density= 0.150884 ETOT(band)= 0.010734 trlgG= -0.010914 logG= -0.018257 TDE= -0.137515 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009617 tlogG= -0.008784 logG= -0.018400 Density= 0.151305 ETOT(band)= 0.010698 trlgG= -0.011049 logG= -0.018400 TDE= -0.137912 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009576 tlogG= -0.007787 logG= -0.017363 Density= 0.150105 ETOT(band)= 0.011125 trlgG= -0.009579 logG= -0.017363 TDE= -0.136326 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019202 tlogG= -0.015866 logG= -0.035068 Density= 0.301541 ETOT(band)= 0.021250 trlgG= -0.020570 logG= -0.035068 TDE= -0.275001 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019178 tlogG= -0.014750 logG= -0.033929 Density= 0.299614 ETOT(band)= 0.021397 trlgG= -0.019088 logG= -0.033929 TDE= -0.272808 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009614 tlogG= -0.006626 logG= -0.016240 Density= 0.147462 ETOT(band)= 0.008671 trlgG= -0.010837 logG= -0.016240 TDE= -0.136171 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003079 tlogG= -0.002603 logG= -0.005681 Density= 0.045871 ETOT(band)= 0.000579 trlgG= -0.005882 logG= -0.005681 TDE= -0.044239 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003125 tlogG= -0.002527 logG= -0.005651 Density= 0.045378 ETOT(band)= -0.000324 trlgG= -0.006908 logG= -0.005651 TDE= -0.044823 logGD-logG0= -0.003107 tlogG= -0.002553 logG= -0.005660 Density= 0.045604 ETOT(band)= 0.000077 trlgG= -0.006441 logG= -0.005660 TDE= -0.044564 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009386 tlogG= -0.007452 logG= -0.016838 Density= 0.136738 ETOT(band)= -0.000660 trlgG= -0.020327 logG= -0.016838 TDE= -0.134766 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009378 tlogG= -0.007369 logG= -0.016748 Density= 0.136613 ETOT(band)= -0.000598 trlgG= -0.020191 logG= -0.016748 TDE= -0.134601 logGD-logG0= -0.009363 tlogG= -0.007293 logG= -0.016657 Density= 0.136660 ETOT(band)= -0.000206 trlgG= -0.019677 logG= -0.016657 TDE= -0.134223 logGD-logG0= -0.009396 tlogG= -0.006659 logG= -0.016054 Density= 0.137872 ETOT(band)= 0.000737 trlgG= -0.018261 logG= -0.016054 TDE= -0.134573 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009307 tlogG= -0.007360 logG= -0.016668 Density= 0.137310 ETOT(band)= 0.001078 trlgG= -0.018156 logG= -0.016668 TDE= -0.133314 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009679 tlogG= -0.007136 logG= -0.016815 Density= 0.147717 ETOT(band)= 0.009286 trlgG= -0.010821 logG= -0.016815 TDE= -0.135824 logGD-logG0= -0.009656 tlogG= -0.006512 logG= -0.016168 logGD-logG0= -0.009618 tlogG= -0.007549 logG= -0.017167 Density= 0.149119 ETOT(band)= 0.010963 trlgG= -0.009523 logG= -0.017167 TDE= -0.135520 logGD-logG0= -0.009490 tlogG= -0.006359 logG= -0.015849 Density= 0.140232 ETOT(band)= 0.003350 trlgG= -0.015314 logG= -0.015849 TDE= -0.134096 Density= 0.142414 ETOT(band)= 0.004266 trlgG= -0.014969 logG= -0.016168 TDE= -0.135528 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009368 tlogG= -0.006526 logG= -0.015894 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009391 tlogG= -0.006840 logG= -0.016231 Density= 0.138425 ETOT(band)= 0.001662 trlgG= -0.017291 logG= -0.016231 TDE= -0.133957 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137651 ETOT(band)= 0.001011 trlgG= -0.017770 logG= -0.015894 TDE= -0.134030 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004742 tlogG= -0.003098 logG= -0.007840 Density= 0.067616 ETOT(band)= -0.001190 trlgG= -0.010457 logG= -0.007840 TDE= -0.067533 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009404 tlogG= -0.006624 logG= -0.016028 Density= 0.137821 ETOT(band)= 0.000765 trlgG= -0.018239 logG= -0.016028 TDE= -0.134529 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009339 tlogG= -0.006818 logG= -0.016157 Density= 0.138988 ETOT(band)= 0.002946 trlgG= -0.015817 logG= -0.016157 TDE= -0.133098 logGD-logG0= -0.009450 tlogG= -0.005939 logG= -0.015390 Density= 0.138065 ETOT(band)= 0.001043 trlgG= -0.017283 logG= -0.015390 TDE= -0.134445 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009342 tlogG= -0.007326 logG= -0.016668 Density= 0.136881 ETOT(band)= 0.000191 trlgG= -0.019205 logG= -0.016668 TDE= -0.133951 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009558 tlogG= -0.006574 logG= -0.016133 Density= 0.143410 ETOT(band)= 0.006716 trlgG= -0.012317 logG= -0.016133 TDE= -0.133868 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004755 tlogG= -0.002574 logG= -0.007329 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.065332 ETOT(band)= -0.002713 trlgG= -0.011318 logG= -0.007329 TDE= -0.066712 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009430 tlogG= -0.005618 logG= -0.015048 logGD-logG0= -0.009474 tlogG= -0.005631 logG= -0.015105 Density= 0.133876 ETOT(band)= -0.002941 trlgG= -0.020854 logG= -0.015105 TDE= -0.134278 Density= 0.136942 ETOT(band)= 0.000458 trlgG= -0.017529 logG= -0.015048 TDE= -0.133955 logGD-logG0= -0.009493 tlogG= -0.006017 logG= -0.015510 Density= 0.135896 ETOT(band)= -0.001385 trlgG= -0.019759 logG= -0.015510 TDE= -0.134719 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009467 tlogG= -0.006138 logG= -0.015605 Density= 0.138618 ETOT(band)= 0.001563 trlgG= -0.016900 logG= -0.015605 TDE= -0.134377 logGD-logG0= -0.009388 tlogG= -0.006852 logG= -0.016240 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137486 ETOT(band)= 0.000284 trlgG= -0.018913 logG= -0.016240 TDE= -0.134669 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019363 tlogG= -0.012768 logG= -0.032131 Density= 0.285051 ETOT(band)= 0.008250 trlgG= -0.030132 logG= -0.032131 TDE= -0.271669 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009700 tlogG= -0.006520 logG= -0.016219 Density= 0.143082 ETOT(band)= 0.004396 trlgG= -0.015000 logG= -0.016219 TDE= -0.136149 logGD-logG0= -0.018873 tlogG= -0.011966 logG= -0.030839 Density= 0.277877 ETOT(band)= 0.004047 trlgG= -0.032759 logG= -0.030839 TDE= -0.268700 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019126 tlogG= -0.012064 logG= -0.031190 logGD-logG0= -0.018972 tlogG= -0.010849 logG= -0.029821 Density= 0.271644 ETOT(band)= -0.001789 trlgG= -0.037421 logG= -0.029821 TDE= -0.268395 Density= 0.281376 ETOT(band)= 0.006877 trlgG= -0.030298 logG= -0.031190 TDE= -0.269248 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019066 tlogG= -0.010176 logG= -0.029242 Density= 0.263903 ETOT(band)= -0.008431 trlgG= -0.043156 logG= -0.029242 TDE= -0.267278 logGD-logG0= -0.018767 tlogG= -0.013708 logG= -0.032475 Density= 0.275137 ETOT(band)= 0.001192 trlgG= -0.037067 logG= -0.032475 TDE= -0.268742 logGD-logG0= -0.018996 tlogG= -0.011457 logG= -0.030453 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.275441 ETOT(band)= 0.001332 trlgG= -0.034896 logG= -0.030453 TDE= -0.268884 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018892 tlogG= -0.012114 logG= -0.031006 Density= 0.278180 ETOT(band)= 0.004050 trlgG= -0.032962 logG= -0.031006 TDE= -0.269028 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018805 tlogG= -0.012354 logG= -0.031159 Density= 0.278865 ETOT(band)= 0.006471 trlgG= -0.030291 logG= -0.031159 TDE= -0.266860 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018874 tlogG= -0.012259 logG= -0.031133 Density= 0.278001 ETOT(band)= 0.004461 trlgG= -0.032476 logG= -0.031133 TDE= -0.268243 logGD-logG0= -0.004833 tlogG= -0.003570 logG= -0.008403 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.074876 ETOT(band)= 0.005152 trlgG= -0.004900 logG= -0.008403 TDE= -0.068383 logGD-logG0= -0.018697 tlogG= -0.013754 logG= -0.032451 Density= 0.275771 ETOT(band)= 0.002988 trlgG= -0.034853 logG= -0.032451 TDE= -0.267160 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019403 tlogG= -0.012757 logG= -0.032160 Density= 0.289543 ETOT(band)= 0.014887 trlgG= -0.023388 logG= -0.032160 TDE= -0.269208 logGD-logG0= -0.009579 tlogG= -0.004871 logG= -0.014450 logGD-logG0= -0.019083 tlogG= -0.010458 logG= -0.029542 Density= 0.130767 ETOT(band)= -0.005385 trlgG= -0.022549 logG= -0.014450 TDE= -0.133644 Density= 0.278313 ETOT(band)= 0.004906 trlgG= -0.030485 logG= -0.029542 TDE= -0.268142 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000384 tlogG= 0.008633 logG= 0.008248 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.005716 ETOT(band)= 0.000063 trlgG= 0.008208 logG= 0.008248 TDE= -0.005529 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.018799 tlogG= -0.011640 logG= -0.030439 Density= 0.276573 ETOT(band)= 0.004065 trlgG= -0.032153 logG= -0.030439 TDE= -0.267243 logGD-logG0= -0.019011 tlogG= -0.011683 logG= -0.030694 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.270286 ETOT(band)= -0.004311 trlgG= -0.040750 logG= -0.030694 TDE= -0.269549 logGD-logG0= -0.009717 tlogG= -0.005976 logG= -0.015693 Density= 0.144030 ETOT(band)= 0.006485 trlgG= -0.012261 logG= -0.015693 TDE= -0.134847 logGD-logG0= -0.009499 tlogG= -0.005456 logG= -0.014955 logGD-logG0= -0.019163 tlogG= -0.011145 logG= -0.030308 Density= 0.133147 ETOT(band)= -0.003626 trlgG= -0.021323 logG= -0.014955 TDE= -0.134198 Density= 0.278279 ETOT(band)= 0.003907 trlgG= -0.032311 logG= -0.030308 TDE= -0.269169 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019228 tlogG= -0.011913 logG= -0.031141 Density= 0.280186 ETOT(band)= 0.004427 trlgG= -0.032798 logG= -0.031141 TDE= -0.270654 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009567 tlogG= -0.005200 logG= -0.014767 Density= 0.140028 ETOT(band)= 0.003026 trlgG= -0.014721 logG= -0.014767 TDE= -0.134390 logGD-logG0= -0.019020 tlogG= -0.010534 logG= -0.029554 Density= 0.274825 ETOT(band)= 0.002412 trlgG= -0.032901 logG= -0.029554 TDE= -0.267197 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009526 tlogG= -0.005273 logG= -0.014799 Density= 0.137000 ETOT(band)= 0.000033 trlgG= -0.017544 logG= -0.014799 TDE= -0.134273 logGD-logG0= -0.019059 tlogG= -0.010607 logG= -0.029666 Density= 0.272553 ETOT(band)= -0.001492 trlgG= -0.036808 logG= -0.029666 TDE= -0.268810 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019104 tlogG= -0.010087 logG= -0.029191 Density= 0.267220 ETOT(band)= -0.005997 trlgG= -0.040731 logG= -0.029191 TDE= -0.268089 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009507 tlogG= -0.005137 logG= -0.014644 logGD-logG0= -0.009516 tlogG= -0.005493 logG= -0.015009 Density= 0.135946 ETOT(band)= -0.001179 trlgG= -0.018902 logG= -0.015009 TDE= -0.134410 Density= 0.136516 ETOT(band)= -0.000326 trlgG= -0.017655 logG= -0.014644 TDE= -0.134075 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004762 tlogG= -0.002655 logG= -0.007417 Density= 0.068648 ETOT(band)= 0.000105 trlgG= -0.008748 logG= -0.007417 TDE= -0.067238 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002418 tlogG= -0.001868 logG= -0.004286 Density= 0.036971 ETOT(band)= 0.002627 trlgG= -0.002448 logG= -0.004286 TDE= -0.033656 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009265 tlogG= -0.008818 logG= -0.018083 Density= 0.139382 ETOT(band)= 0.003661 trlgG= -0.016850 logG= -0.018083 TDE= -0.132583 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002365 tlogG= -0.001971 logG= -0.004336 Density= 0.035778 ETOT(band)= 0.001747 trlgG= -0.003250 logG= -0.004336 TDE= -0.033264 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002318 tlogG= -0.002345 logG= -0.004663 Density= 0.034868 ETOT(band)= 0.000932 trlgG= -0.004368 logG= -0.004663 TDE= -0.033181 logGD-logG0= -0.009315 tlogG= -0.007753 logG= -0.017068 Density= 0.138542 ETOT(band)= 0.002870 trlgG= -0.016570 logG= -0.017068 TDE= -0.132512 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009361 tlogG= -0.007408 logG= -0.016768 Density= 0.137546 ETOT(band)= 0.001627 trlgG= -0.017666 logG= -0.016768 TDE= -0.132951 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009329 tlogG= -0.008434 logG= -0.017763 Density= 0.140804 ETOT(band)= 0.005008 trlgG= -0.015320 logG= -0.017763 TDE= -0.132738 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009380 tlogG= -0.007328 logG= -0.016708 Density= 0.140935 ETOT(band)= 0.005204 trlgG= -0.014169 logG= -0.016708 TDE= -0.132768 logGD-logG0= -0.009296 tlogG= -0.007979 logG= -0.017275 Density= 0.138804 ETOT(band)= 0.003244 trlgG= -0.016452 logG= -0.017275 TDE= -0.132438 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004650 tlogG= -0.004022 logG= -0.008671 Density= 0.069918 ETOT(band)= 0.002133 trlgG= -0.007778 logG= -0.008671 TDE= -0.066232 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009611 tlogG= -0.007184 logG= -0.016795 Density= 0.144763 ETOT(band)= 0.008304 trlgG= -0.011294 logG= -0.016795 TDE= -0.133482 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009418 tlogG= -0.006354 logG= -0.015772 Density= 0.137452 ETOT(band)= 0.001729 trlgG= -0.016858 logG= -0.015772 TDE= -0.133050 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018638 tlogG= -0.015765 logG= -0.034404 Density= 0.280305 ETOT(band)= 0.009029 trlgG= -0.030372 logG= -0.034404 TDE= -0.265080 logGD-logG0= -0.009529 tlogG= -0.005325 logG= -0.014854 Density= 0.133853 ETOT(band)= -0.001794 trlgG= -0.019427 logG= -0.014854 TDE= -0.133082 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018977 tlogG= -0.013240 logG= -0.032217 Density= 0.284550 ETOT(band)= 0.012607 trlgG= -0.025305 logG= -0.032217 TDE= -0.266274 logGD-logG0= -0.009568 tlogG= -0.005010 logG= -0.014578 Density= 0.130561 ETOT(band)= -0.004878 trlgG= -0.022154 logG= -0.014578 TDE= -0.132924 logGD-logG0= -0.009368 tlogG= -0.006887 logG= -0.016255 Density= 0.139328 ETOT(band)= 0.003919 trlgG= -0.014919 logG= -0.016255 TDE= -0.132428 logGD-logG0= -0.004740 tlogG= -0.002825 logG= -0.007565 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.068481 ETOT(band)= 0.000874 trlgG= -0.008079 logG= -0.007565 TDE= -0.066260 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009264 tlogG= -0.009047 logG= -0.018311 Density= 0.139575 ETOT(band)= 0.003850 trlgG= -0.016956 logG= -0.018311 TDE= -0.132646 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009726 tlogG= -0.006721 logG= -0.016446 Density= 0.145726 ETOT(band)= 0.008849 trlgG= -0.010717 logG= -0.016446 TDE= -0.134177 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018749 tlogG= -0.013979 logG= -0.032728 Density= 0.277514 ETOT(band)= 0.006235 trlgG= -0.031571 logG= -0.032728 TDE= -0.265275 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009425 tlogG= -0.007531 logG= -0.016956 Density= 0.142390 ETOT(band)= 0.006472 trlgG= -0.013149 logG= -0.016956 TDE= -0.132896 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009591 tlogG= -0.005695 logG= -0.015286 Density= 0.141505 ETOT(band)= 0.005471 trlgG= -0.012835 logG= -0.015286 TDE= -0.133403 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018913 tlogG= -0.011698 logG= -0.030610 Density= 0.277100 ETOT(band)= 0.006085 trlgG= -0.030188 logG= -0.030610 TDE= -0.265611 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009405 tlogG= -0.006669 logG= -0.016074 Density= 0.140775 ETOT(band)= 0.005294 trlgG= -0.013555 logG= -0.016074 TDE= -0.132634 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003108 tlogG= 0.069870 logG= 0.066762 Density= 0.046265 ETOT(band)= 0.001049 trlgG= 0.067010 logG= 0.066762 TDE= -0.044170 logGD-logG0= -0.003088 tlogG= 0.069472 logG= 0.066383 logGD-logG0= -0.002309 tlogG= 0.051910 logG= 0.049601 Density= 0.034447 ETOT(band)= 0.000522 trlgG= 0.049498 logG= 0.049601 TDE= -0.033174 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Density= 0.046194 ETOT(band)= 0.000949 trlgG= 0.066516 logG= 0.066383 TDE= -0.044217 logGD-logG0= -0.003078 tlogG= 0.069187 logG= 0.066109 Density= 0.045846 ETOT(band)= 0.000630 trlgG= 0.065897 logG= 0.066109 TDE= -0.044227 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009260 tlogG= 0.208433 logG= 0.199174 Density= 0.138556 ETOT(band)= 0.002880 trlgG= 0.199522 logG= 0.199174 TDE= -0.132674 logGD-logG0= -0.009296 tlogG= 0.209135 logG= 0.199839 Density= 0.139055 ETOT(band)= 0.003402 trlgG= 0.200745 logG= 0.199839 TDE= -0.132595 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004622 tlogG= 0.104034 logG= 0.099412 Density= 0.069134 ETOT(band)= 0.001273 trlgG= 0.099445 logG= 0.099412 TDE= -0.066339 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.57485068052604 eV TrLogG= -13.7263533564023 eV Ratio to renormalize= 0.999999999719 rho-rho_expected= 0.000000004499 nargs= 1 argi=dmft2.def 4) Finished k-point number 5 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 81) Finished k-point number 82 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 95) Finished k-point number 96 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 89) Finished k-point number 90 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 68) Finished k-point number 69 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 71) Finished k-point number 72 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 69) Finished k-point number 70 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 98) Finished k-point number 99 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931278974803168 0.927867101433048 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0623603077527 Density= 16.0000830266696 16.0000000000000 EF 12.7902464756391 Density= 15.3737220025559 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96006586 0.94006586 0.830267E-04 -0.626278 1 0.96006321 0.94006586 0.122276E-04 -0.626278 2 0.96006275 0.96006321 -0.205755E-10 0.122276E-04 Absolute convergence of |F(X)|. Difference in EF= -0.0000422992 EF set to : 13.0623180085 new EF (no-mixing): 13.0623180085 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001200 tlogG= -0.001246 logG= -0.002446 Density= 0.018981 ETOT(band)= 0.001242 trlgG= -0.001610 logG= -0.002446 TDE= -0.017386 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009576 tlogG= -0.009510 logG= -0.019086 Density= 0.151749 ETOT(band)= 0.010200 trlgG= -0.012138 logG= -0.019086 TDE= -0.138740 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002392 tlogG= -0.002398 logG= -0.004791 Density= 0.037914 ETOT(band)= 0.002582 trlgG= -0.003025 logG= -0.004791 TDE= -0.034634 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004784 tlogG= -0.004607 logG= -0.009391 Density= 0.075852 ETOT(band)= 0.005183 trlgG= -0.005836 logG= -0.009391 TDE= -0.069267 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002397 tlogG= -0.002075 logG= -0.004472 Density= 0.037488 ETOT(band)= 0.002640 trlgG= -0.002695 logG= -0.004472 TDE= -0.034214 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009605 tlogG= -0.008651 logG= -0.018257 Density= 0.150884 ETOT(band)= 0.010734 trlgG= -0.010913 logG= -0.018257 TDE= -0.137515 logGD-logG0= -0.009602 tlogG= -0.008045 logG= -0.017647 Density= 0.150695 ETOT(band)= 0.010665 trlgG= -0.010355 logG= -0.017647 TDE= -0.137386 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009622 tlogG= -0.006674 logG= -0.016296 Density= 0.143861 ETOT(band)= 0.005020 trlgG= -0.014472 logG= -0.016296 TDE= -0.136291 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001565 tlogG= -0.001316 logG= -0.002882 Density= 0.022773 ETOT(band)= -0.000166 trlgG= -0.003494 logG= -0.002882 TDE= -0.022475 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004803 tlogG= -0.004185 logG= -0.008989 Density= 0.075534 ETOT(band)= 0.005241 trlgG= -0.005442 logG= -0.008989 TDE= -0.068971 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009617 tlogG= -0.008783 logG= -0.018400 Density= 0.151306 ETOT(band)= 0.010699 trlgG= -0.011048 logG= -0.018400 TDE= -0.137911 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009576 tlogG= -0.007787 logG= -0.017362 Density= 0.150105 ETOT(band)= 0.011126 trlgG= -0.009578 logG= -0.017362 TDE= -0.136326 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019202 tlogG= -0.015867 logG= -0.035069 Density= 0.301541 ETOT(band)= 0.021250 trlgG= -0.020571 logG= -0.035069 TDE= -0.275000 logGD-logG0= -0.019178 tlogG= -0.014749 logG= -0.033928 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.299614 ETOT(band)= 0.021396 trlgG= -0.019087 logG= -0.033928 TDE= -0.272807 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009613 tlogG= -0.006626 logG= -0.016239 Density= 0.147463 ETOT(band)= 0.008671 trlgG= -0.010837 logG= -0.016239 TDE= -0.136171 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003125 tlogG= -0.002527 logG= -0.005651 Density= 0.045378 ETOT(band)= -0.000324 trlgG= -0.006908 logG= -0.005651 TDE= -0.044823 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003079 tlogG= -0.002603 logG= -0.005682 Density= 0.045871 ETOT(band)= 0.000579 trlgG= -0.005883 logG= -0.005682 TDE= -0.044239 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003107 tlogG= -0.002553 logG= -0.005660 logGD-logG0= -0.009386 tlogG= -0.007455 logG= -0.016841 Density= 0.045604 ETOT(band)= 0.000077 trlgG= -0.006441 logG= -0.005660 TDE= -0.044564 Density= 0.136737 ETOT(band)= -0.000661 trlgG= -0.020330 logG= -0.016841 TDE= -0.134766 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009378 tlogG= -0.007368 logG= -0.016747 Density= 0.136614 ETOT(band)= -0.000598 trlgG= -0.020190 logG= -0.016747 TDE= -0.134601 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009396 tlogG= -0.006657 logG= -0.016053 Density= 0.137872 ETOT(band)= 0.000736 trlgG= -0.018260 logG= -0.016053 TDE= -0.134573 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009364 tlogG= -0.007296 logG= -0.016660 Density= 0.136661 ETOT(band)= -0.000206 trlgG= -0.019679 logG= -0.016660 TDE= -0.134222 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009307 tlogG= -0.007362 logG= -0.016670 Density= 0.137310 ETOT(band)= 0.001078 trlgG= -0.018158 logG= -0.016670 TDE= -0.133314 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009679 tlogG= -0.007136 logG= -0.016815 Density= 0.147725 ETOT(band)= 0.009294 trlgG= -0.010813 logG= -0.016815 TDE= -0.135824 logGD-logG0= -0.009618 tlogG= -0.007550 logG= -0.017168 Density= 0.149119 ETOT(band)= 0.010963 trlgG= -0.009523 logG= -0.017168 TDE= -0.135519 logGD-logG0= -0.009404 tlogG= -0.006623 logG= -0.016027 Density= 0.137821 ETOT(band)= 0.000765 trlgG= -0.018238 logG= -0.016027 TDE= -0.134528 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009490 tlogG= -0.006358 logG= -0.015848 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.140232 ETOT(band)= 0.003349 trlgG= -0.015313 logG= -0.015848 TDE= -0.134096 logGD-logG0= -0.009369 tlogG= -0.006527 logG= -0.015896 Density= 0.137651 ETOT(band)= 0.001012 trlgG= -0.017773 logG= -0.015896 TDE= -0.134030 logGD-logG0= -0.009656 tlogG= -0.006512 logG= -0.016168 Density= 0.142413 ETOT(band)= 0.004265 trlgG= -0.014970 logG= -0.016168 TDE= -0.135528 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004754 tlogG= -0.002572 logG= -0.007327 Density= 0.065338 ETOT(band)= -0.002707 trlgG= -0.011310 logG= -0.007327 TDE= -0.066712 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009343 tlogG= -0.007326 logG= -0.016668 Density= 0.136882 ETOT(band)= 0.000192 trlgG= -0.019205 logG= -0.016668 TDE= -0.133951 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009391 tlogG= -0.006839 logG= -0.016230 Density= 0.138425 ETOT(band)= 0.001662 trlgG= -0.017291 logG= -0.016230 TDE= -0.133957 logGD-logG0= -0.004742 tlogG= -0.003099 logG= -0.007841 Density= 0.067617 ETOT(band)= -0.001190 trlgG= -0.010458 logG= -0.007841 TDE= -0.067533 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009339 tlogG= -0.006818 logG= -0.016157 Density= 0.138989 ETOT(band)= 0.002946 trlgG= -0.015818 logG= -0.016157 TDE= -0.133098 logGD-logG0= -0.009449 tlogG= -0.005937 logG= -0.015387 Density= 0.138063 ETOT(band)= 0.001040 trlgG= -0.017282 logG= -0.015387 TDE= -0.134445 logGD-logG0= -0.009494 tlogG= -0.006020 logG= -0.015514 logGD-logG0= -0.009430 tlogG= -0.005618 logG= -0.015048 Density= 0.136945 ETOT(band)= 0.000460 trlgG= -0.017527 logG= -0.015048 TDE= -0.133955 Density= 0.135898 ETOT(band)= -0.001383 trlgG= -0.019762 logG= -0.015514 TDE= -0.134718 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009559 tlogG= -0.006573 logG= -0.016131 Density= 0.143412 ETOT(band)= 0.006717 trlgG= -0.012315 logG= -0.016131 TDE= -0.133868 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009473 tlogG= -0.005628 logG= -0.015101 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.133875 ETOT(band)= -0.002943 trlgG= -0.020850 logG= -0.015101 TDE= -0.134278 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009466 tlogG= -0.006139 logG= -0.015605 Density= 0.138617 ETOT(band)= 0.001562 trlgG= -0.016901 logG= -0.015605 TDE= -0.134377 logGD-logG0= -0.009388 tlogG= -0.006854 logG= -0.016242 Density= 0.137487 ETOT(band)= 0.000284 trlgG= -0.018915 logG= -0.016242 TDE= -0.134669 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009700 tlogG= -0.006520 logG= -0.016220 logGD-logG0= -0.018893 tlogG= -0.012116 logG= -0.031008 Density= 0.278184 ETOT(band)= 0.004054 trlgG= -0.032961 logG= -0.031008 TDE= -0.269027 Density= 0.143083 ETOT(band)= 0.004397 trlgG= -0.014999 logG= -0.016220 TDE= -0.136148 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019363 tlogG= -0.012768 logG= -0.032131 Density= 0.285043 ETOT(band)= 0.008241 trlgG= -0.030140 logG= -0.032131 TDE= -0.271669 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018973 tlogG= -0.010848 logG= -0.029821 Density= 0.271646 ETOT(band)= -0.001786 trlgG= -0.037418 logG= -0.029821 TDE= -0.268395 logGD-logG0= -0.018766 tlogG= -0.013705 logG= -0.032471 Density= 0.275137 ETOT(band)= 0.001190 trlgG= -0.037064 logG= -0.032471 TDE= -0.268742 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018873 tlogG= -0.011959 logG= -0.030832 logGD-logG0= -0.018807 tlogG= -0.012351 logG= -0.031159 Density= 0.278864 ETOT(band)= 0.006472 trlgG= -0.030291 logG= -0.031159 TDE= -0.266860 Density= 0.277879 ETOT(band)= 0.004049 trlgG= -0.032750 logG= -0.030832 TDE= -0.268699 logGD-logG0= -0.018994 tlogG= -0.011455 logG= -0.030449 Density= 0.275442 ETOT(band)= 0.001331 trlgG= -0.034892 logG= -0.030449 TDE= -0.268884 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009499 tlogG= -0.005457 logG= -0.014956 Density= 0.133154 ETOT(band)= -0.003618 trlgG= -0.021318 logG= -0.014956 TDE= -0.134198 logGD-logG0= -0.019064 tlogG= -0.010174 logG= -0.029239 Density= 0.263881 ETOT(band)= -0.008454 trlgG= -0.043175 logG= -0.029239 TDE= -0.267278 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019126 tlogG= -0.012064 logG= -0.031190 Density= 0.281373 ETOT(band)= 0.006873 trlgG= -0.030301 logG= -0.031190 TDE= -0.269247 logGD-logG0= -0.000384 tlogG= 0.008633 logG= 0.008248 Density= 0.005716 ETOT(band)= 0.000063 trlgG= 0.008208 logG= 0.008248 TDE= -0.005529 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019083 tlogG= -0.010462 logG= -0.029544 Density= 0.278335 ETOT(band)= 0.004927 trlgG= -0.030467 logG= -0.029544 TDE= -0.268142 logGD-logG0= -0.018801 tlogG= -0.011642 logG= -0.030443 Density= 0.276574 ETOT(band)= 0.004066 trlgG= -0.032158 logG= -0.030443 TDE= -0.267243 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009579 tlogG= -0.004871 logG= -0.014450 Density= 0.130766 ETOT(band)= -0.005387 trlgG= -0.022551 logG= -0.014450 TDE= -0.133644 logGD-logG0= -0.004833 tlogG= -0.003570 logG= -0.008403 Density= 0.074877 ETOT(band)= 0.005152 trlgG= -0.004900 logG= -0.008403 TDE= -0.068383 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018873 tlogG= -0.012266 logG= -0.031139 logGD-logG0= -0.009567 tlogG= -0.005199 logG= -0.014766 Density= 0.277999 ETOT(band)= 0.004457 trlgG= -0.032484 logG= -0.031139 TDE= -0.268242 Density= 0.140023 ETOT(band)= 0.003021 trlgG= -0.014725 logG= -0.014766 TDE= -0.134390 logGD-logG0= -0.019403 tlogG= -0.012755 logG= -0.032158 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.289529 ETOT(band)= 0.014872 trlgG= -0.023400 logG= -0.032158 TDE= -0.269207 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019011 tlogG= -0.011685 logG= -0.030696 Density= 0.270289 ETOT(band)= -0.004308 trlgG= -0.040751 logG= -0.030696 TDE= -0.269549 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019022 tlogG= -0.010538 logG= -0.029560 Density= 0.274828 ETOT(band)= 0.002416 trlgG= -0.032905 logG= -0.029560 TDE= -0.267197 logGD-logG0= -0.019058 tlogG= -0.010606 logG= -0.029664 Density= 0.272555 ETOT(band)= -0.001491 trlgG= -0.036804 logG= -0.029664 TDE= -0.268810 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019163 tlogG= -0.011145 logG= -0.030308 Density= 0.278277 ETOT(band)= 0.003905 trlgG= -0.032313 logG= -0.030308 TDE= -0.269169 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018697 tlogG= -0.013750 logG= -0.032447 Density= 0.275773 ETOT(band)= 0.002989 trlgG= -0.034847 logG= -0.032447 TDE= -0.267159 logGD-logG0= -0.019104 tlogG= -0.010087 logG= -0.029192 Density= 0.267227 ETOT(band)= -0.005991 trlgG= -0.040726 logG= -0.029192 TDE= -0.268089 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019227 tlogG= -0.011912 logG= -0.031138 logGD-logG0= -0.009716 tlogG= -0.005976 logG= -0.015692 Density= 0.280181 ETOT(band)= 0.004421 trlgG= -0.032801 logG= -0.031138 TDE= -0.270654 Density= 0.144030 ETOT(band)= 0.006484 trlgG= -0.012262 logG= -0.015692 TDE= -0.134847 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009508 tlogG= -0.005138 logG= -0.014646 Density= 0.136516 ETOT(band)= -0.000325 trlgG= -0.017656 logG= -0.014646 TDE= -0.134075 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009526 tlogG= -0.005273 logG= -0.014799 Density= 0.137000 ETOT(band)= 0.000033 trlgG= -0.017544 logG= -0.014799 TDE= -0.134273 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009516 tlogG= -0.005493 logG= -0.015009 Density= 0.135949 ETOT(band)= -0.001177 trlgG= -0.018899 logG= -0.015009 TDE= -0.134410 logGD-logG0= -0.004762 tlogG= -0.002655 logG= -0.007417 Density= 0.068648 ETOT(band)= 0.000105 trlgG= -0.008748 logG= -0.007417 TDE= -0.067238 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002418 tlogG= -0.001868 logG= -0.004286 Density= 0.036971 ETOT(band)= 0.002627 trlgG= -0.002448 logG= -0.004286 TDE= -0.033656 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002318 tlogG= -0.002345 logG= -0.004663 Density= 0.034868 ETOT(band)= 0.000932 trlgG= -0.004368 logG= -0.004663 TDE= -0.033181 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009265 tlogG= -0.008817 logG= -0.018082 Density= 0.139383 ETOT(band)= 0.003662 trlgG= -0.016848 logG= -0.018082 TDE= -0.132583 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004649 tlogG= -0.004022 logG= -0.008671 Density= 0.069918 ETOT(band)= 0.002133 trlgG= -0.007777 logG= -0.008671 TDE= -0.066231 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009360 tlogG= -0.007406 logG= -0.016766 Density= 0.137548 ETOT(band)= 0.001628 trlgG= -0.017662 logG= -0.016766 TDE= -0.132951 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009297 tlogG= -0.007981 logG= -0.017278 logGD-logG0= -0.009315 tlogG= -0.007752 logG= -0.017067 Density= 0.138543 ETOT(band)= 0.002870 trlgG= -0.016569 logG= -0.017067 TDE= -0.132512 Density= 0.138804 ETOT(band)= 0.003244 trlgG= -0.016455 logG= -0.017278 TDE= -0.132438 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002365 tlogG= -0.001971 logG= -0.004336 Density= 0.035778 ETOT(band)= 0.001747 trlgG= -0.003250 logG= -0.004336 TDE= -0.033264 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009611 tlogG= -0.007183 logG= -0.016794 Density= 0.144763 ETOT(band)= 0.008303 trlgG= -0.011295 logG= -0.016794 TDE= -0.133481 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009380 tlogG= -0.007331 logG= -0.016711 Density= 0.140932 ETOT(band)= 0.005202 trlgG= -0.014175 logG= -0.016711 TDE= -0.132767 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009329 tlogG= -0.008434 logG= -0.017763 Density= 0.140804 ETOT(band)= 0.005008 trlgG= -0.015321 logG= -0.017763 TDE= -0.132738 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009368 tlogG= -0.006888 logG= -0.016256 Density= 0.139327 ETOT(band)= 0.003917 trlgG= -0.014922 logG= -0.016256 TDE= -0.132428 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009529 tlogG= -0.005325 logG= -0.014854 Density= 0.133849 ETOT(band)= -0.001798 trlgG= -0.019432 logG= -0.014854 TDE= -0.133082 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009418 tlogG= -0.006354 logG= -0.015771 Density= 0.137451 ETOT(band)= 0.001727 trlgG= -0.016860 logG= -0.015771 TDE= -0.133050 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004740 tlogG= -0.002825 logG= -0.007564 Density= 0.068475 ETOT(band)= 0.000868 trlgG= -0.008084 logG= -0.007564 TDE= -0.066260 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009725 tlogG= -0.006720 logG= -0.016446 Density= 0.145726 ETOT(band)= 0.008849 trlgG= -0.010717 logG= -0.016446 TDE= -0.134177 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018977 tlogG= -0.013240 logG= -0.032217 Density= 0.284548 ETOT(band)= 0.012605 trlgG= -0.025307 logG= -0.032217 TDE= -0.266274 logGD-logG0= -0.009264 tlogG= -0.009047 logG= -0.018311 Density= 0.139575 ETOT(band)= 0.003850 trlgG= -0.016956 logG= -0.018311 TDE= -0.132646 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018638 tlogG= -0.015766 logG= -0.034405 Density= 0.280305 ETOT(band)= 0.009028 trlgG= -0.030374 logG= -0.034405 TDE= -0.265079 logGD-logG0= -0.018748 tlogG= -0.013982 logG= -0.032730 Density= 0.277513 ETOT(band)= 0.006232 trlgG= -0.031575 logG= -0.032730 TDE= -0.265275 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009425 tlogG= -0.007531 logG= -0.016956 Density= 0.142390 ETOT(band)= 0.006472 trlgG= -0.013149 logG= -0.016956 TDE= -0.132896 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009569 tlogG= -0.005011 logG= -0.014579 logGD-logG0= -0.009591 tlogG= -0.005695 logG= -0.015286 Density= 0.130558 ETOT(band)= -0.004881 trlgG= -0.022159 logG= -0.014579 TDE= -0.132924 Density= 0.141504 ETOT(band)= 0.005470 trlgG= -0.012836 logG= -0.015286 TDE= -0.133402 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018912 tlogG= -0.011697 logG= -0.030609 Density= 0.277101 ETOT(band)= 0.006085 trlgG= -0.030185 logG= -0.030609 TDE= -0.265611 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009404 tlogG= -0.006671 logG= -0.016075 Density= 0.140774 ETOT(band)= 0.005294 trlgG= -0.013557 logG= -0.016075 TDE= -0.132634 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003107 tlogG= 0.069870 logG= 0.066763 Density= 0.046265 ETOT(band)= 0.001049 trlgG= 0.067011 logG= 0.066763 TDE= -0.044170 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003088 tlogG= 0.069472 logG= 0.066383 Density= 0.046194 ETOT(band)= 0.000949 trlgG= 0.066515 logG= 0.066383 TDE= -0.044217 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002309 tlogG= 0.051910 logG= 0.049601 Density= 0.034447 ETOT(band)= 0.000522 trlgG= 0.049498 logG= 0.049601 TDE= -0.033174 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009260 tlogG= 0.208433 logG= 0.199173 Density= 0.138557 ETOT(band)= 0.002880 trlgG= 0.199521 logG= 0.199173 TDE= -0.132674 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009296 tlogG= 0.209134 logG= 0.199838 Density= 0.139055 ETOT(band)= 0.003402 trlgG= 0.200745 logG= 0.199838 TDE= -0.132595 logGD-logG0= -0.004622 tlogG= 0.104033 logG= 0.099411 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Density= 0.069134 ETOT(band)= 0.001273 trlgG= 0.099445 logG= 0.099411 TDE= -0.066339 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003078 tlogG= 0.069188 logG= 0.066110 Density= 0.045846 ETOT(band)= 0.000630 trlgG= 0.065897 logG= 0.066110 TDE= -0.044227 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.57435245812209 eV TrLogG= -13.7267570072310 eV Ratio to renormalize= 0.999999999720 rho-rho_expected= 0.000000004477 nargs= 1 argi=dmft2.def 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 28) Finished k-point number 29 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 30) Finished k-point number 31 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 46) Finished k-point number 47 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 94) Finished k-point number 95 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 86) Finished k-point number 87 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 71) Finished k-point number 72 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 57) Finished k-point number 58 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 72) Finished k-point number 73 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 96) Finished k-point number 97 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931265899214777 0.927968548142982 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0623180085144 Density= 15.9999447031456 16.0000000000000 EF 13.3344318406280 Density= 16.4912356766620 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98006275 0.96006275 0.491236 -0.552969E-04 1 0.97006275 0.96006277 0.254121 -0.552969E-04 2 0.96506276 0.96006252 0.129678 -0.552968E-04 3 0.96256264 0.96006265 0.656689E-01 -0.552969E-04 4 0.96131264 0.96006258 0.330546E-01 -0.552969E-04 5 0.96068761 0.96006285 0.165642E-01 -0.552969E-04 6 0.96037523 0.96006296 0.827302E-02 -0.552969E-04 7 0.96021910 0.96006291 0.411598E-02 -0.552969E-04 8 0.96014100 0.96006269 0.203350E-02 -0.552969E-04 9 0.96010185 0.96006280 0.988601E-03 -0.552968E-04 10 0.96008232 0.96006275 0.467360E-03 -0.552969E-04 11 0.96007253 0.96006277 0.205978E-03 -0.552968E-04 12 0.96006765 0.96006252 0.756291E-04 -0.552969E-04 13 0.96006509 0.96006289 0.709014E-05 -0.552968E-04 14 0.96006485 0.96006289 0.659724E-06 -0.552968E-04 15 0.96006482 0.96006289 0.478954E-08 -0.552968E-04 16 0.96006482 0.96006289 0.364864E-11 -0.552968E-04 Absolute convergence of |F(X)|. Difference in EF= 0.0000281695 EF set to : 13.0623461780 new EF (no-mixing): 13.0623461780 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001200 tlogG= -0.001246 logG= -0.002446 Density= 0.018981 ETOT(band)= 0.001242 trlgG= -0.001610 logG= -0.002446 TDE= -0.017386 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009576 tlogG= -0.009510 logG= -0.019086 Density= 0.151749 ETOT(band)= 0.010201 trlgG= -0.012138 logG= -0.019086 TDE= -0.138741 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002392 tlogG= -0.002398 logG= -0.004791 Density= 0.037914 ETOT(band)= 0.002582 trlgG= -0.003025 logG= -0.004791 TDE= -0.034634 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004784 tlogG= -0.004608 logG= -0.009392 Density= 0.075852 ETOT(band)= 0.005183 trlgG= -0.005836 logG= -0.009392 TDE= -0.069267 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002397 tlogG= -0.002075 logG= -0.004472 Density= 0.037488 ETOT(band)= 0.002640 trlgG= -0.002695 logG= -0.004472 TDE= -0.034214 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004803 tlogG= -0.004186 logG= -0.008989 Density= 0.075534 ETOT(band)= 0.005241 trlgG= -0.005442 logG= -0.008989 TDE= -0.068971 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001565 tlogG= -0.001316 logG= -0.002882 Density= 0.022773 ETOT(band)= -0.000166 trlgG= -0.003494 logG= -0.002882 TDE= -0.022475 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009623 tlogG= -0.006674 logG= -0.016297 Density= 0.143864 ETOT(band)= 0.005023 trlgG= -0.014469 logG= -0.016297 TDE= -0.136291 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009617 tlogG= -0.008784 logG= -0.018401 Density= 0.151306 ETOT(band)= 0.010699 trlgG= -0.011048 logG= -0.018401 TDE= -0.137912 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019178 tlogG= -0.014750 logG= -0.033929 Density= 0.299616 ETOT(band)= 0.021399 trlgG= -0.019086 logG= -0.033929 TDE= -0.272808 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009576 tlogG= -0.007787 logG= -0.017363 Density= 0.150106 ETOT(band)= 0.011126 trlgG= -0.009578 logG= -0.017363 TDE= -0.136326 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019202 tlogG= -0.015868 logG= -0.035071 Density= 0.301543 ETOT(band)= 0.021251 trlgG= -0.020570 logG= -0.035071 TDE= -0.275000 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003079 tlogG= -0.002603 logG= -0.005682 Density= 0.045871 ETOT(band)= 0.000579 trlgG= -0.005883 logG= -0.005682 TDE= -0.044239 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003124 tlogG= -0.002527 logG= -0.005651 Density= 0.045378 ETOT(band)= -0.000324 trlgG= -0.006908 logG= -0.005651 TDE= -0.044823 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003107 tlogG= -0.002553 logG= -0.005660 Density= 0.045604 ETOT(band)= 0.000077 trlgG= -0.006441 logG= -0.005660 TDE= -0.044564 logGD-logG0= -0.009386 tlogG= -0.007454 logG= -0.016840 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009602 tlogG= -0.008046 logG= -0.017647 Density= 0.150698 ETOT(band)= 0.010667 trlgG= -0.010354 logG= -0.017647 TDE= -0.137386 Density= 0.136737 ETOT(band)= -0.000661 trlgG= -0.020330 logG= -0.016840 TDE= -0.134766 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009377 tlogG= -0.007369 logG= -0.016746 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136614 ETOT(band)= -0.000599 trlgG= -0.020189 logG= -0.016746 TDE= -0.134601 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009364 tlogG= -0.007295 logG= -0.016659 Density= 0.136660 ETOT(band)= -0.000206 trlgG= -0.019679 logG= -0.016659 TDE= -0.134223 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009396 tlogG= -0.006659 logG= -0.016055 Density= 0.137872 ETOT(band)= 0.000736 trlgG= -0.018262 logG= -0.016055 TDE= -0.134573 logGD-logG0= -0.009614 tlogG= -0.006627 logG= -0.016240 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.147464 ETOT(band)= 0.008673 trlgG= -0.010836 logG= -0.016240 TDE= -0.136171 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009307 tlogG= -0.007362 logG= -0.016669 Density= 0.137310 ETOT(band)= 0.001078 trlgG= -0.018157 logG= -0.016669 TDE= -0.133314 logGD-logG0= -0.009679 tlogG= -0.007136 logG= -0.016815 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.147726 ETOT(band)= 0.009295 trlgG= -0.010813 logG= -0.016815 TDE= -0.135824 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009618 tlogG= -0.007550 logG= -0.017168 logGD-logG0= -0.009343 tlogG= -0.007328 logG= -0.016670 Density= 0.149122 ETOT(band)= 0.010966 trlgG= -0.009520 logG= -0.017168 TDE= -0.135519 Density= 0.136881 ETOT(band)= 0.000191 trlgG= -0.019207 logG= -0.016670 TDE= -0.133951 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009606 tlogG= -0.008652 logG= -0.018257 Density= 0.150885 ETOT(band)= 0.010735 trlgG= -0.010913 logG= -0.018257 TDE= -0.137515 logGD-logG0= -0.009656 tlogG= -0.006513 logG= -0.016169 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.142412 ETOT(band)= 0.004264 trlgG= -0.014972 logG= -0.016169 TDE= -0.135528 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004742 tlogG= -0.003098 logG= -0.007840 Density= 0.067617 ETOT(band)= -0.001190 trlgG= -0.010457 logG= -0.007840 TDE= -0.067533 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009391 tlogG= -0.006841 logG= -0.016232 Density= 0.138425 ETOT(band)= 0.001661 trlgG= -0.017293 logG= -0.016232 TDE= -0.133957 logGD-logG0= -0.004755 tlogG= -0.002579 logG= -0.007334 Density= 0.065333 ETOT(band)= -0.002712 trlgG= -0.011321 logG= -0.007334 TDE= -0.066712 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009339 tlogG= -0.006818 logG= -0.016157 Density= 0.138989 ETOT(band)= 0.002946 trlgG= -0.015817 logG= -0.016157 TDE= -0.133098 logGD-logG0= -0.009388 tlogG= -0.006852 logG= -0.016240 Density= 0.137487 ETOT(band)= 0.000285 trlgG= -0.018912 logG= -0.016240 TDE= -0.134669 logGD-logG0= -0.009430 tlogG= -0.005617 logG= -0.015046 Density= 0.136944 ETOT(band)= 0.000459 trlgG= -0.017526 logG= -0.015046 TDE= -0.133955 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009404 tlogG= -0.006625 logG= -0.016029 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137821 ETOT(band)= 0.000764 trlgG= -0.018241 logG= -0.016029 TDE= -0.134528 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009493 tlogG= -0.006018 logG= -0.015512 Density= 0.135897 ETOT(band)= -0.001385 trlgG= -0.019761 logG= -0.015512 TDE= -0.134718 logGD-logG0= -0.009558 tlogG= -0.006574 logG= -0.016133 Density= 0.143411 ETOT(band)= 0.006716 trlgG= -0.012317 logG= -0.016133 TDE= -0.133868 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019363 tlogG= -0.012769 logG= -0.032132 Density= 0.285053 ETOT(band)= 0.008250 trlgG= -0.030132 logG= -0.032132 TDE= -0.271669 logGD-logG0= -0.009466 tlogG= -0.006137 logG= -0.015603 Density= 0.138618 ETOT(band)= 0.001563 trlgG= -0.016898 logG= -0.015603 TDE= -0.134377 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018873 tlogG= -0.011964 logG= -0.030837 Density= 0.277877 ETOT(band)= 0.004046 trlgG= -0.032757 logG= -0.030837 TDE= -0.268700 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009369 tlogG= -0.006526 logG= -0.015894 Density= 0.137650 ETOT(band)= 0.001010 trlgG= -0.017772 logG= -0.015894 TDE= -0.134030 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018972 tlogG= -0.010847 logG= -0.029819 Density= 0.271640 ETOT(band)= -0.001793 trlgG= -0.037423 logG= -0.029819 TDE= -0.268395 logGD-logG0= -0.018766 tlogG= -0.013708 logG= -0.032475 Density= 0.275138 ETOT(band)= 0.001191 trlgG= -0.037066 logG= -0.032475 TDE= -0.268742 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019125 tlogG= -0.012064 logG= -0.031189 Density= 0.281366 ETOT(band)= 0.006866 trlgG= -0.030307 logG= -0.031189 TDE= -0.269248 logGD-logG0= -0.018995 tlogG= -0.011458 logG= -0.030453 Density= 0.275441 ETOT(band)= 0.001331 trlgG= -0.034896 logG= -0.030453 TDE= -0.268884 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004833 tlogG= -0.003570 logG= -0.008404 Density= 0.074877 ETOT(band)= 0.005153 trlgG= -0.004900 logG= -0.008404 TDE= -0.068383 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018807 tlogG= -0.012354 logG= -0.031161 Density= 0.278864 ETOT(band)= 0.006471 trlgG= -0.030294 logG= -0.031161 TDE= -0.266860 logGD-logG0= -0.018892 tlogG= -0.012117 logG= -0.031010 logGD-logG0= -0.019009 tlogG= -0.011677 logG= -0.030686 Density= 0.278182 ETOT(band)= 0.004051 trlgG= -0.032965 logG= -0.031010 TDE= -0.269028 Density= 0.270283 ETOT(band)= -0.004317 trlgG= -0.040746 logG= -0.030686 TDE= -0.269549 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019403 tlogG= -0.012757 logG= -0.032161 Density= 0.289550 ETOT(band)= 0.014893 trlgG= -0.023382 logG= -0.032161 TDE= -0.269208 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018697 tlogG= -0.013751 logG= -0.032449 Density= 0.275772 ETOT(band)= 0.002988 trlgG= -0.034850 logG= -0.032449 TDE= -0.267160 logGD-logG0= -0.009499 tlogG= -0.005459 logG= -0.014958 Density= 0.133149 ETOT(band)= -0.003624 trlgG= -0.021324 logG= -0.014958 TDE= -0.134198 logGD-logG0= -0.019085 tlogG= -0.010460 logG= -0.029545 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278324 ETOT(band)= 0.004917 trlgG= -0.030477 logG= -0.029545 TDE= -0.268142 logGD-logG0= -0.018872 tlogG= -0.012261 logG= -0.031134 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019064 tlogG= -0.010175 logG= -0.029240 Density= 0.263879 ETOT(band)= -0.008456 trlgG= -0.043177 logG= -0.029240 TDE= -0.267278 Density= 0.277999 ETOT(band)= 0.004457 trlgG= -0.032479 logG= -0.031134 TDE= -0.268243 logGD-logG0= -0.019060 tlogG= -0.010608 logG= -0.029669 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.272547 ETOT(band)= -0.001498 trlgG= -0.036816 logG= -0.029669 TDE= -0.268810 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000384 tlogG= 0.008633 logG= 0.008248 Density= 0.005716 ETOT(band)= 0.000063 trlgG= 0.008208 logG= 0.008248 TDE= -0.005529 logGD-logG0= -0.009491 tlogG= -0.006360 logG= -0.015851 logGD-logG0= -0.019021 tlogG= -0.010535 logG= -0.029557 Density= 0.140232 ETOT(band)= 0.003349 trlgG= -0.015316 logG= -0.015851 TDE= -0.134096 Density= 0.274797 ETOT(band)= 0.002384 trlgG= -0.032931 logG= -0.029557 TDE= -0.267197 logGD-logG0= -0.009579 tlogG= -0.004872 logG= -0.014452 Density= 0.130767 ETOT(band)= -0.005385 trlgG= -0.022551 logG= -0.014452 TDE= -0.133644 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019227 tlogG= -0.011913 logG= -0.031140 Density= 0.280179 ETOT(band)= 0.004419 trlgG= -0.032805 logG= -0.031140 TDE= -0.270654 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018796 tlogG= -0.011641 logG= -0.030437 Density= 0.276571 ETOT(band)= 0.004060 trlgG= -0.032153 logG= -0.030437 TDE= -0.267243 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009474 tlogG= -0.005630 logG= -0.015104 Density= 0.133885 ETOT(band)= -0.002932 trlgG= -0.020844 logG= -0.015104 TDE= -0.134278 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009717 tlogG= -0.005976 logG= -0.015693 Density= 0.144031 ETOT(band)= 0.006485 trlgG= -0.012261 logG= -0.015693 TDE= -0.134847 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009526 tlogG= -0.005274 logG= -0.014800 Density= 0.137000 ETOT(band)= 0.000033 trlgG= -0.017544 logG= -0.014800 TDE= -0.134273 logGD-logG0= -0.009516 tlogG= -0.005494 logG= -0.015009 logGD-logG0= -0.009508 tlogG= -0.005138 logG= -0.014645 Density= 0.136516 ETOT(band)= -0.000326 trlgG= -0.017656 logG= -0.014645 TDE= -0.134075 Density= 0.135948 ETOT(band)= -0.001178 trlgG= -0.018900 logG= -0.015009 TDE= -0.134410 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004762 tlogG= -0.002655 logG= -0.007417 Density= 0.068649 ETOT(band)= 0.000105 trlgG= -0.008748 logG= -0.007417 TDE= -0.067238 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009449 tlogG= -0.005938 logG= -0.015387 Density= 0.138064 ETOT(band)= 0.001041 trlgG= -0.017282 logG= -0.015387 TDE= -0.134445 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009700 tlogG= -0.006520 logG= -0.016220 Density= 0.143081 ETOT(band)= 0.004395 trlgG= -0.015001 logG= -0.016220 TDE= -0.136148 logGD-logG0= -0.002418 tlogG= -0.001868 logG= -0.004286 Density= 0.036971 ETOT(band)= 0.002628 trlgG= -0.002448 logG= -0.004286 TDE= -0.033656 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019104 tlogG= -0.010088 logG= -0.029192 Density= 0.267232 ETOT(band)= -0.005986 trlgG= -0.040721 logG= -0.029192 TDE= -0.268089 logGD-logG0= -0.009265 tlogG= -0.008817 logG= -0.018082 Density= 0.139383 ETOT(band)= 0.003662 trlgG= -0.016848 logG= -0.018082 TDE= -0.132583 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009569 tlogG= -0.005202 logG= -0.014771 Density= 0.140037 ETOT(band)= 0.003036 trlgG= -0.014717 logG= -0.014771 TDE= -0.134390 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009315 tlogG= -0.007753 logG= -0.017068 Density= 0.138543 ETOT(band)= 0.002870 trlgG= -0.016569 logG= -0.017068 TDE= -0.132512 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002365 tlogG= -0.001971 logG= -0.004336 Density= 0.035778 ETOT(band)= 0.001747 trlgG= -0.003251 logG= -0.004336 TDE= -0.033264 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009360 tlogG= -0.007407 logG= -0.016767 Density= 0.137547 ETOT(band)= 0.001628 trlgG= -0.017663 logG= -0.016767 TDE= -0.132951 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009381 tlogG= -0.007330 logG= -0.016710 Density= 0.140934 ETOT(band)= 0.005204 trlgG= -0.014173 logG= -0.016710 TDE= -0.132768 logGD-logG0= -0.009611 tlogG= -0.007184 logG= -0.016795 Density= 0.144763 ETOT(band)= 0.008304 trlgG= -0.011295 logG= -0.016795 TDE= -0.133482 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002318 tlogG= -0.002345 logG= -0.004663 Density= 0.034868 ETOT(band)= 0.000932 trlgG= -0.004369 logG= -0.004663 TDE= -0.033181 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009369 tlogG= -0.006882 logG= -0.016251 Density= 0.139331 ETOT(band)= 0.003923 trlgG= -0.014913 logG= -0.016251 TDE= -0.132428 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019162 tlogG= -0.011144 logG= -0.030307 Density= 0.278274 ETOT(band)= 0.003902 trlgG= -0.032315 logG= -0.030307 TDE= -0.269169 logGD-logG0= -0.009296 tlogG= -0.007980 logG= -0.017277 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138804 ETOT(band)= 0.003244 trlgG= -0.016454 logG= -0.017277 TDE= -0.132438 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004649 tlogG= -0.004021 logG= -0.008671 Density= 0.069918 ETOT(band)= 0.002133 trlgG= -0.007777 logG= -0.008671 TDE= -0.066232 logGD-logG0= -0.018977 tlogG= -0.013241 logG= -0.032218 Density= 0.284551 ETOT(band)= 0.012607 trlgG= -0.025305 logG= -0.032218 TDE= -0.266274 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004740 tlogG= -0.002825 logG= -0.007564 Density= 0.068478 ETOT(band)= 0.000871 trlgG= -0.008081 logG= -0.007564 TDE= -0.066260 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009264 tlogG= -0.009048 logG= -0.018311 Density= 0.139575 ETOT(band)= 0.003850 trlgG= -0.016956 logG= -0.018311 TDE= -0.132646 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009726 tlogG= -0.006721 logG= -0.016447 Density= 0.145727 ETOT(band)= 0.008850 trlgG= -0.010717 logG= -0.016447 TDE= -0.134177 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009418 tlogG= -0.006355 logG= -0.015773 Density= 0.137452 ETOT(band)= 0.001728 trlgG= -0.016860 logG= -0.015773 TDE= -0.133050 logGD-logG0= -0.009568 tlogG= -0.005011 logG= -0.014579 Density= 0.130557 ETOT(band)= -0.004883 trlgG= -0.022160 logG= -0.014579 TDE= -0.132924 logGD-logG0= -0.009329 tlogG= -0.008435 logG= -0.017764 logGD-logG0= -0.009591 tlogG= -0.005696 logG= -0.015287 Density= 0.141505 ETOT(band)= 0.005471 trlgG= -0.012835 logG= -0.015287 TDE= -0.133403 Density= 0.140804 ETOT(band)= 0.005008 trlgG= -0.015321 logG= -0.017764 TDE= -0.132738 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018913 tlogG= -0.011697 logG= -0.030609 Density= 0.277106 ETOT(band)= 0.006091 trlgG= -0.030180 logG= -0.030609 TDE= -0.265611 logGD-logG0= -0.009404 tlogG= -0.006670 logG= -0.016074 Density= 0.140775 ETOT(band)= 0.005294 trlgG= -0.013555 logG= -0.016074 TDE= -0.132634 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009529 tlogG= -0.005325 logG= -0.014854 Density= 0.133855 ETOT(band)= -0.001793 trlgG= -0.019427 logG= -0.014854 TDE= -0.133082 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009425 tlogG= -0.007531 logG= -0.016956 Density= 0.142390 ETOT(band)= 0.006472 trlgG= -0.013149 logG= -0.016956 TDE= -0.132896 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003088 tlogG= 0.069471 logG= 0.066383 Density= 0.046194 ETOT(band)= 0.000949 trlgG= 0.066515 logG= 0.066383 TDE= -0.044217 logGD-logG0= -0.018639 tlogG= -0.015766 logG= -0.034405 Density= 0.280305 ETOT(band)= 0.009029 trlgG= -0.030374 logG= -0.034405 TDE= -0.265080 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003108 tlogG= 0.069870 logG= 0.066762 Density= 0.046265 ETOT(band)= 0.001049 trlgG= 0.067010 logG= 0.066762 TDE= -0.044170 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003078 tlogG= 0.069187 logG= 0.066109 Density= 0.045846 ETOT(band)= 0.000630 trlgG= 0.065897 logG= 0.066109 TDE= -0.044227 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002309 tlogG= 0.051910 logG= 0.049601 Density= 0.034447 ETOT(band)= 0.000522 trlgG= 0.049498 logG= 0.049601 TDE= -0.033174 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009260 tlogG= 0.208433 logG= 0.199173 Density= 0.138556 ETOT(band)= 0.002880 trlgG= 0.199522 logG= 0.199173 TDE= -0.132674 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.018747 tlogG= -0.013983 logG= -0.032729 Density= 0.277514 ETOT(band)= 0.006232 trlgG= -0.031573 logG= -0.032729 TDE= -0.265275 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004622 tlogG= 0.104034 logG= 0.099412 Density= 0.069134 ETOT(band)= 0.001273 trlgG= 0.099445 logG= 0.099412 TDE= -0.066339 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009296 tlogG= 0.209134 logG= 0.199838 Density= 0.139055 ETOT(band)= 0.003401 trlgG= 0.200745 logG= 0.199838 TDE= -0.132595 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.57430825752969 eV TrLogG= -13.7269795536915 eV Ratio to renormalize= 0.999999999719 rho-rho_expected= 0.000000004501 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 30) Finished k-point number 31 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 80) Finished k-point number 81 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 46) Finished k-point number 47 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 88) Finished k-point number 89 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 59) Finished k-point number 60 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 60) Finished k-point number 61 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 99) Finished k-point number 100 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931309080737637 0.927931424452698 43) Finished k-point number 44 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 84) Finished k-point number 85 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 40) Finished k-point number 41 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 91) Finished k-point number 92 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 95) Finished k-point number 96 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 28) Finished k-point number 29 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 24) Finished k-point number 25 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 97) Finished k-point number 98 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 58) Finished k-point number 59 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0623461780065 Density= 15.9998541497094 16.0000000000000 EF 13.3344600101201 Density= 16.4911570964171 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98006482 0.96006482 0.491157 -0.145850E-03 1 0.97006482 0.96006484 0.254023 -0.145850E-03 2 0.96506483 0.96006459 0.129580 -0.145850E-03 3 0.96256471 0.96006472 0.655747E-01 -0.145850E-03 4 0.96131471 0.96006465 0.329622E-01 -0.145850E-03 5 0.96068968 0.96006445 0.164727E-01 -0.145850E-03 6 0.96037707 0.96006455 0.817565E-02 -0.145850E-03 7 0.96022081 0.96006474 0.401566E-02 -0.145850E-03 8 0.96014277 0.96006488 0.193488E-02 -0.145850E-03 9 0.96010383 0.96006457 0.895601E-03 -0.145850E-03 10 0.96008420 0.96006473 0.371604E-03 -0.145850E-03 11 0.96007446 0.96006465 0.111630E-03 -0.145850E-03 12 0.96007022 0.96007446 -0.168506E-05 0.111630E-03 13 0.96007028 0.96007022 0.479830E-10 -0.168506E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0000743055 EF set to : 13.0624204835 new EF (no-mixing): 13.0624204835 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001200 tlogG= -0.001246 logG= -0.002446 Density= 0.018981 ETOT(band)= 0.001242 trlgG= -0.001610 logG= -0.002446 TDE= -0.017386 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009576 tlogG= -0.009510 logG= -0.019086 Density= 0.151748 ETOT(band)= 0.010201 trlgG= -0.012138 logG= -0.019086 TDE= -0.138741 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002392 tlogG= -0.002398 logG= -0.004791 Density= 0.037914 ETOT(band)= 0.002582 trlgG= -0.003025 logG= -0.004791 TDE= -0.034634 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004784 tlogG= -0.004608 logG= -0.009392 Density= 0.075851 ETOT(band)= 0.005183 trlgG= -0.005836 logG= -0.009392 TDE= -0.069267 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002397 tlogG= -0.002075 logG= -0.004472 Density= 0.037488 ETOT(band)= 0.002640 trlgG= -0.002695 logG= -0.004472 TDE= -0.034214 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001565 tlogG= -0.001316 logG= -0.002881 Density= 0.022773 ETOT(band)= -0.000166 trlgG= -0.003493 logG= -0.002881 TDE= -0.022475 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009606 tlogG= -0.008651 logG= -0.018257 Density= 0.150884 ETOT(band)= 0.010735 trlgG= -0.010913 logG= -0.018257 TDE= -0.137515 logGD-logG0= -0.009622 tlogG= -0.006673 logG= -0.016295 Density= 0.143857 ETOT(band)= 0.005017 trlgG= -0.014474 logG= -0.016295 TDE= -0.136291 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009602 tlogG= -0.008045 logG= -0.017647 Density= 0.150696 ETOT(band)= 0.010667 trlgG= -0.010354 logG= -0.017647 TDE= -0.137386 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004804 tlogG= -0.004186 logG= -0.008990 Density= 0.075535 ETOT(band)= 0.005242 trlgG= -0.005442 logG= -0.008990 TDE= -0.068971 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009617 tlogG= -0.008784 logG= -0.018400 Density= 0.151306 ETOT(band)= 0.010699 trlgG= -0.011048 logG= -0.018400 TDE= -0.137912 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009576 tlogG= -0.007787 logG= -0.017363 Density= 0.150105 ETOT(band)= 0.011126 trlgG= -0.009578 logG= -0.017363 TDE= -0.136326 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009614 tlogG= -0.006626 logG= -0.016240 Density= 0.147463 ETOT(band)= 0.008672 trlgG= -0.010836 logG= -0.016240 TDE= -0.136171 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003124 tlogG= -0.002527 logG= -0.005651 Density= 0.045378 ETOT(band)= -0.000324 trlgG= -0.006908 logG= -0.005651 TDE= -0.044823 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003079 tlogG= -0.002603 logG= -0.005682 Density= 0.045870 ETOT(band)= 0.000579 trlgG= -0.005882 logG= -0.005682 TDE= -0.044239 logGD-logG0= -0.019202 tlogG= -0.015865 logG= -0.035067 Density= 0.301542 ETOT(band)= 0.021253 trlgG= -0.020566 logG= -0.035067 TDE= -0.275001 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003107 tlogG= -0.002553 logG= -0.005659 Density= 0.045604 ETOT(band)= 0.000077 trlgG= -0.006441 logG= -0.005659 TDE= -0.044564 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009378 tlogG= -0.007369 logG= -0.016747 logGD-logG0= -0.009386 tlogG= -0.007457 logG= -0.016843 Density= 0.136736 ETOT(band)= -0.000661 trlgG= -0.020332 logG= -0.016843 TDE= -0.134766 Density= 0.136613 ETOT(band)= -0.000598 trlgG= -0.020191 logG= -0.016747 TDE= -0.134601 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009363 tlogG= -0.007294 logG= -0.016657 Density= 0.136661 ETOT(band)= -0.000205 trlgG= -0.019676 logG= -0.016657 TDE= -0.134223 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009396 tlogG= -0.006659 logG= -0.016055 Density= 0.137872 ETOT(band)= 0.000736 trlgG= -0.018261 logG= -0.016055 TDE= -0.134573 logGD-logG0= -0.009307 tlogG= -0.007362 logG= -0.016670 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137310 ETOT(band)= 0.001078 trlgG= -0.018157 logG= -0.016670 TDE= -0.133314 logGD-logG0= -0.009679 tlogG= -0.007136 logG= -0.016815 Density= 0.147725 ETOT(band)= 0.009295 trlgG= -0.010812 logG= -0.016815 TDE= -0.135824 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009656 tlogG= -0.006512 logG= -0.016168 Density= 0.142416 ETOT(band)= 0.004269 trlgG= -0.014967 logG= -0.016168 TDE= -0.135528 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009490 tlogG= -0.006359 logG= -0.015849 Density= 0.140232 ETOT(band)= 0.003351 trlgG= -0.015313 logG= -0.015849 TDE= -0.134096 logGD-logG0= -0.009369 tlogG= -0.006527 logG= -0.015896 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137651 ETOT(band)= 0.001012 trlgG= -0.017772 logG= -0.015896 TDE= -0.134030 logGD-logG0= -0.009618 tlogG= -0.007550 logG= -0.017168 Density= 0.149120 ETOT(band)= 0.010965 trlgG= -0.009522 logG= -0.017168 TDE= -0.135520 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009473 tlogG= -0.005630 logG= -0.015102 Density= 0.133874 ETOT(band)= -0.002943 trlgG= -0.020852 logG= -0.015102 TDE= -0.134278 logGD-logG0= -0.004755 tlogG= -0.002573 logG= -0.007327 Density= 0.065325 ETOT(band)= -0.002719 trlgG= -0.011323 logG= -0.007327 TDE= -0.066712 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004742 tlogG= -0.003097 logG= -0.007839 logGD-logG0= -0.009388 tlogG= -0.006855 logG= -0.016243 Density= 0.137486 ETOT(band)= 0.000284 trlgG= -0.018916 logG= -0.016243 TDE= -0.134669 Density= 0.067615 ETOT(band)= -0.001191 trlgG= -0.010457 logG= -0.007839 TDE= -0.067533 logGD-logG0= -0.009467 tlogG= -0.006137 logG= -0.015604 Density= 0.138618 ETOT(band)= 0.001564 trlgG= -0.016898 logG= -0.015604 TDE= -0.134377 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009493 tlogG= -0.006017 logG= -0.015510 Density= 0.135895 ETOT(band)= -0.001386 trlgG= -0.019760 logG= -0.015510 TDE= -0.134719 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009559 tlogG= -0.006574 logG= -0.016133 Density= 0.143411 ETOT(band)= 0.006717 trlgG= -0.012316 logG= -0.016133 TDE= -0.133868 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009429 tlogG= -0.005617 logG= -0.015046 Density= 0.136946 ETOT(band)= 0.000461 trlgG= -0.017523 logG= -0.015046 TDE= -0.133955 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018766 tlogG= -0.013708 logG= -0.032474 Density= 0.275137 ETOT(band)= 0.001192 trlgG= -0.037066 logG= -0.032474 TDE= -0.268742 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009700 tlogG= -0.006520 logG= -0.016220 Density= 0.143083 ETOT(band)= 0.004397 trlgG= -0.014998 logG= -0.016220 TDE= -0.136149 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018975 tlogG= -0.010851 logG= -0.029825 logGD-logG0= -0.018891 tlogG= -0.012111 logG= -0.031002 Density= 0.278184 ETOT(band)= 0.004055 trlgG= -0.032954 logG= -0.031002 TDE= -0.269028 Density= 0.271657 ETOT(band)= -0.001773 trlgG= -0.037411 logG= -0.029825 TDE= -0.268395 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018697 tlogG= -0.013757 logG= -0.032454 Density= 0.275770 ETOT(band)= 0.002987 trlgG= -0.034855 logG= -0.032454 TDE= -0.267160 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018874 tlogG= -0.011964 logG= -0.030837 Density= 0.277880 ETOT(band)= 0.004051 trlgG= -0.032753 logG= -0.030837 TDE= -0.268700 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018873 tlogG= -0.012263 logG= -0.031136 Density= 0.277998 ETOT(band)= 0.004458 trlgG= -0.032481 logG= -0.031136 TDE= -0.268243 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018804 tlogG= -0.012349 logG= -0.031154 Density= 0.278864 ETOT(band)= 0.006471 trlgG= -0.030285 logG= -0.031154 TDE= -0.266861 logGD-logG0= -0.018796 tlogG= -0.011639 logG= -0.030436 logGD-logG0= -0.004833 tlogG= -0.003570 logG= -0.008404 Density= 0.276572 ETOT(band)= 0.004062 trlgG= -0.032150 logG= -0.030436 TDE= -0.267243 Density= 0.074877 ETOT(band)= 0.005153 trlgG= -0.004900 logG= -0.008404 TDE= -0.068383 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019126 tlogG= -0.012065 logG= -0.031191 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018994 tlogG= -0.011456 logG= -0.030450 Density= 0.275441 ETOT(band)= 0.001332 trlgG= -0.034892 logG= -0.030450 TDE= -0.268885 Density= 0.281369 ETOT(band)= 0.006871 trlgG= -0.030305 logG= -0.031191 TDE= -0.269248 logGD-logG0= -0.019065 tlogG= -0.010175 logG= -0.029240 Density= 0.263893 ETOT(band)= -0.008440 trlgG= -0.043162 logG= -0.029240 TDE= -0.267278 logGD-logG0= -0.009578 tlogG= -0.004870 logG= -0.014448 Density= 0.130768 ETOT(band)= -0.005384 trlgG= -0.022546 logG= -0.014448 TDE= -0.133644 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019020 tlogG= -0.010536 logG= -0.029557 Density= 0.274827 ETOT(band)= 0.002415 trlgG= -0.032901 logG= -0.029557 TDE= -0.267197 logGD-logG0= -0.019404 tlogG= -0.012754 logG= -0.032158 Density= 0.289557 ETOT(band)= 0.014902 trlgG= -0.023371 logG= -0.032158 TDE= -0.269208 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009568 tlogG= -0.005200 logG= -0.014768 Density= 0.140032 ETOT(band)= 0.003031 trlgG= -0.014717 logG= -0.014768 TDE= -0.134390 logGD-logG0= -0.009499 tlogG= -0.005458 logG= -0.014957 Density= 0.133154 ETOT(band)= -0.003619 trlgG= -0.021319 logG= -0.014957 TDE= -0.134198 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000384 tlogG= 0.008633 logG= 0.008248 Density= 0.005716 ETOT(band)= 0.000063 trlgG= 0.008208 logG= 0.008248 TDE= -0.005529 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019163 tlogG= -0.011146 logG= -0.030309 Density= 0.278274 ETOT(band)= 0.003904 trlgG= -0.032316 logG= -0.030309 TDE= -0.269169 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009450 tlogG= -0.005940 logG= -0.015390 Density= 0.138065 ETOT(band)= 0.001043 trlgG= -0.017283 logG= -0.015390 TDE= -0.134445 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019179 tlogG= -0.014748 logG= -0.033927 Density= 0.299618 ETOT(band)= 0.021402 trlgG= -0.019081 logG= -0.033927 TDE= -0.272808 logGD-logG0= -0.019059 tlogG= -0.010606 logG= -0.029665 Density= 0.272548 ETOT(band)= -0.001496 trlgG= -0.036810 logG= -0.029665 TDE= -0.268810 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009516 tlogG= -0.005495 logG= -0.015011 Density= 0.135950 ETOT(band)= -0.001174 trlgG= -0.018899 logG= -0.015011 TDE= -0.134410 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019228 tlogG= -0.011913 logG= -0.031141 Density= 0.280186 ETOT(band)= 0.004428 trlgG= -0.032797 logG= -0.031141 TDE= -0.270654 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009526 tlogG= -0.005273 logG= -0.014799 Density= 0.137000 ETOT(band)= 0.000034 trlgG= -0.017543 logG= -0.014799 TDE= -0.134273 logGD-logG0= -0.009507 tlogG= -0.005137 logG= -0.014644 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136515 ETOT(band)= -0.000327 trlgG= -0.017655 logG= -0.014644 TDE= -0.134075 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004762 tlogG= -0.002655 logG= -0.007417 Density= 0.068648 ETOT(band)= 0.000105 trlgG= -0.008747 logG= -0.007417 TDE= -0.067238 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019105 tlogG= -0.010083 logG= -0.029187 Density= 0.267190 ETOT(band)= -0.006026 trlgG= -0.040755 logG= -0.029187 TDE= -0.268089 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009264 tlogG= -0.008817 logG= -0.018081 Density= 0.139383 ETOT(band)= 0.003662 trlgG= -0.016847 logG= -0.018081 TDE= -0.132583 logGD-logG0= -0.019011 tlogG= -0.011684 logG= -0.030695 Density= 0.270291 ETOT(band)= -0.004306 trlgG= -0.040746 logG= -0.030695 TDE= -0.269549 logGD-logG0= -0.009315 tlogG= -0.007752 logG= -0.017067 Density= 0.138542 ETOT(band)= 0.002870 trlgG= -0.016569 logG= -0.017067 TDE= -0.132512 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019363 tlogG= -0.012769 logG= -0.032132 Density= 0.285042 ETOT(band)= 0.008241 trlgG= -0.030141 logG= -0.032132 TDE= -0.271669 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004649 tlogG= -0.004022 logG= -0.008671 Density= 0.069917 ETOT(band)= 0.002133 trlgG= -0.007777 logG= -0.008671 TDE= -0.066232 logGD-logG0= -0.002365 tlogG= -0.001971 logG= -0.004336 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.035778 ETOT(band)= 0.001747 trlgG= -0.003250 logG= -0.004336 TDE= -0.033264 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019084 tlogG= -0.010461 logG= -0.029545 Density= 0.278320 ETOT(band)= 0.004914 trlgG= -0.030480 logG= -0.029545 TDE= -0.268142 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009296 tlogG= -0.007981 logG= -0.017277 Density= 0.138804 ETOT(band)= 0.003245 trlgG= -0.016453 logG= -0.017277 TDE= -0.132438 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009381 tlogG= -0.007329 logG= -0.016710 Density= 0.140934 ETOT(band)= 0.005205 trlgG= -0.014171 logG= -0.016710 TDE= -0.132768 logGD-logG0= -0.009404 tlogG= -0.006624 logG= -0.016029 logGD-logG0= -0.009612 tlogG= -0.007184 logG= -0.016795 Density= 0.137821 ETOT(band)= 0.000766 trlgG= -0.018239 logG= -0.016029 TDE= -0.134529 Density= 0.144763 ETOT(band)= 0.008305 trlgG= -0.011294 logG= -0.016795 TDE= -0.133482 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009339 tlogG= -0.006818 logG= -0.016157 Density= 0.138988 ETOT(band)= 0.002946 trlgG= -0.015817 logG= -0.016157 TDE= -0.133098 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009370 tlogG= -0.006890 logG= -0.016260 Density= 0.139327 ETOT(band)= 0.003920 trlgG= -0.014924 logG= -0.016260 TDE= -0.132428 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018638 tlogG= -0.015765 logG= -0.034403 Density= 0.280305 ETOT(band)= 0.009030 trlgG= -0.030371 logG= -0.034403 TDE= -0.265080 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018977 tlogG= -0.013240 logG= -0.032217 Density= 0.284551 ETOT(band)= 0.012609 trlgG= -0.025303 logG= -0.032217 TDE= -0.266275 logGD-logG0= -0.009529 tlogG= -0.005326 logG= -0.014855 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.133865 ETOT(band)= -0.001781 trlgG= -0.019417 logG= -0.014855 TDE= -0.133082 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009264 tlogG= -0.009047 logG= -0.018311 Density= 0.139575 ETOT(band)= 0.003851 trlgG= -0.016955 logG= -0.018311 TDE= -0.132646 logGD-logG0= -0.009726 tlogG= -0.006721 logG= -0.016446 Density= 0.145727 ETOT(band)= 0.008850 trlgG= -0.010716 logG= -0.016446 TDE= -0.134178 logGD-logG0= -0.018748 tlogG= -0.013980 logG= -0.032728 Density= 0.277514 ETOT(band)= 0.006235 trlgG= -0.031570 logG= -0.032728 TDE= -0.265275 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004740 tlogG= -0.002824 logG= -0.007564 Density= 0.068468 ETOT(band)= 0.000861 trlgG= -0.008090 logG= -0.007564 TDE= -0.066260 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009425 tlogG= -0.007531 logG= -0.016956 Density= 0.142390 ETOT(band)= 0.006473 trlgG= -0.013148 logG= -0.016956 TDE= -0.132896 logGD-logG0= -0.009569 tlogG= -0.005011 logG= -0.014580 Density= 0.130560 ETOT(band)= -0.004877 trlgG= -0.022157 logG= -0.014580 TDE= -0.132924 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002418 tlogG= -0.001868 logG= -0.004286 Density= 0.036971 ETOT(band)= 0.002628 trlgG= -0.002447 logG= -0.004286 TDE= -0.033656 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009591 tlogG= -0.005695 logG= -0.015287 logGD-logG0= -0.009717 tlogG= -0.005976 logG= -0.015693 Density= 0.141505 ETOT(band)= 0.005471 trlgG= -0.012834 logG= -0.015287 TDE= -0.133403 Density= 0.144031 ETOT(band)= 0.006485 trlgG= -0.012260 logG= -0.015693 TDE= -0.134847 logGD-logG0= -0.018912 tlogG= -0.011697 logG= -0.030609 logGD-logG0= -0.009404 tlogG= -0.006667 logG= -0.016072 Density= 0.140776 ETOT(band)= 0.005296 trlgG= -0.013552 logG= -0.016072 TDE= -0.132634 Density= 0.277110 ETOT(band)= 0.006096 trlgG= -0.030175 logG= -0.030609 TDE= -0.265611 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009329 tlogG= -0.008434 logG= -0.017763 Density= 0.140804 ETOT(band)= 0.005009 trlgG= -0.015319 logG= -0.017763 TDE= -0.132738 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002318 tlogG= -0.002345 logG= -0.004663 Density= 0.034868 ETOT(band)= 0.000932 trlgG= -0.004368 logG= -0.004663 TDE= -0.033181 logGD-logG0= -0.003088 tlogG= 0.069472 logG= 0.066384 Density= 0.046194 ETOT(band)= 0.000949 trlgG= 0.066516 logG= 0.066384 TDE= -0.044217 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002309 tlogG= 0.051910 logG= 0.049601 Density= 0.034447 ETOT(band)= 0.000522 trlgG= 0.049498 logG= 0.049601 TDE= -0.033174 logGD-logG0= -0.003078 tlogG= 0.069188 logG= 0.066110 Density= 0.045846 ETOT(band)= 0.000630 trlgG= 0.065898 logG= 0.066110 TDE= -0.044227 logGD-logG0= -0.009360 tlogG= -0.007405 logG= -0.016766 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Density= 0.137548 ETOT(band)= 0.001629 trlgG= -0.017661 logG= -0.016766 TDE= -0.132951 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009342 tlogG= -0.007327 logG= -0.016669 Density= 0.136881 ETOT(band)= 0.000192 trlgG= -0.019205 logG= -0.016669 TDE= -0.133951 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009418 tlogG= -0.006354 logG= -0.015772 Density= 0.137452 ETOT(band)= 0.001729 trlgG= -0.016858 logG= -0.015772 TDE= -0.133050 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009260 tlogG= 0.208434 logG= 0.199174 Density= 0.138556 ETOT(band)= 0.002881 trlgG= 0.199523 logG= 0.199174 TDE= -0.132674 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009392 tlogG= -0.006842 logG= -0.016234 Density= 0.138424 ETOT(band)= 0.001662 trlgG= -0.017294 logG= -0.016234 TDE= -0.133957 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003108 tlogG= 0.069870 logG= 0.066762 Density= 0.046265 ETOT(band)= 0.001049 trlgG= 0.067010 logG= 0.066762 TDE= -0.044170 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009297 tlogG= 0.209135 logG= 0.199838 Density= 0.139055 ETOT(band)= 0.003404 trlgG= 0.200746 logG= 0.199838 TDE= -0.132595 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004622 tlogG= 0.104035 logG= 0.099413 Density= 0.069134 ETOT(band)= 0.001274 trlgG= 0.099447 logG= 0.099413 TDE= -0.066339 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.57571392656794 eV TrLogG= -13.7254902626588 eV Ratio to renormalize= 0.999999999716 rho-rho_expected= 0.000000004545 nargs= 1 argi=dmft2.def 11) Finished k-point number 12 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 23) Finished k-point number 24 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 31) Finished k-point number 32 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 82) Finished k-point number 83 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 95) Finished k-point number 96 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 92) Finished k-point number 93 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 61) Finished k-point number 62 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 75) Finished k-point number 76 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 72) Finished k-point number 73 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 71) Finished k-point number 72 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 98) Finished k-point number 99 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 99) Finished k-point number 100 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931308988915329 0.927865090402419 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 18) Finished k-point number 19 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 22) Finished k-point number 23 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 19) Finished k-point number 20 1 with #bands= 26 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 95) Finished k-point number 96 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0624204834763 Density= 15.9989498356159 16.0000000000000 EF 13.3345343155899 Density= 16.4904888530001 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98007028 0.96007028 0.490489 -0.105016E-02 1 0.97007028 0.96007030 0.253269 -0.105016E-02 2 0.96507029 0.96007053 0.128768 -0.105016E-02 3 0.96257041 0.96007018 0.647276E-01 -0.105016E-02 4 0.96132029 0.96007035 0.320877E-01 -0.105016E-02 5 0.96069532 0.96007050 0.155867E-01 -0.105016E-02 6 0.96038291 0.96007019 0.728855E-02 -0.105016E-02 7 0.96022655 0.96007059 0.312236E-02 -0.105016E-02 8 0.96014857 0.96007015 0.104125E-02 -0.105016E-02 9 0.96010948 0.96014857 -0.278914E-05 0.104125E-02 10 0.96010958 0.96010948 0.740275E-09 -0.278914E-05 11 0.96010958 0.96010958 -0.193121E-08 0.740275E-09 12 0.96010958 0.96010958 -0.193121E-08 0.740275E-09 Absolute convergence of the X interval. Difference in EF= 0.0005346967 EF set to : 13.0629551802 new EF (no-mixing): 13.0629551802 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001200 tlogG= -0.001246 logG= -0.002446 Density= 0.018980 ETOT(band)= 0.001243 trlgG= -0.001610 logG= -0.002446 TDE= -0.017386 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009576 tlogG= -0.009510 logG= -0.019086 Density= 0.151745 ETOT(band)= 0.010202 trlgG= -0.012137 logG= -0.019086 TDE= -0.138742 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002392 tlogG= -0.002398 logG= -0.004791 Density= 0.037913 ETOT(band)= 0.002583 trlgG= -0.003025 logG= -0.004791 TDE= -0.034635 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004784 tlogG= -0.004608 logG= -0.009392 Density= 0.075849 ETOT(band)= 0.005184 trlgG= -0.005835 logG= -0.009392 TDE= -0.069268 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002397 tlogG= -0.002075 logG= -0.004472 Density= 0.037486 ETOT(band)= 0.002640 trlgG= -0.002695 logG= -0.004472 TDE= -0.034214 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009623 tlogG= -0.006674 logG= -0.016296 Density= 0.143872 ETOT(band)= 0.005037 trlgG= -0.014456 logG= -0.016296 TDE= -0.136293 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001565 tlogG= -0.001316 logG= -0.002881 Density= 0.022772 ETOT(band)= -0.000166 trlgG= -0.003493 logG= -0.002881 TDE= -0.022475 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004804 tlogG= -0.004186 logG= -0.008989 Density= 0.075532 ETOT(band)= 0.005242 trlgG= -0.005442 logG= -0.008989 TDE= -0.068972 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009602 tlogG= -0.008045 logG= -0.017646 Density= 0.150690 ETOT(band)= 0.010666 trlgG= -0.010355 logG= -0.017646 TDE= -0.137387 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009606 tlogG= -0.008652 logG= -0.018257 Density= 0.150881 ETOT(band)= 0.010737 trlgG= -0.010912 logG= -0.018257 TDE= -0.137517 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009576 tlogG= -0.007787 logG= -0.017363 Density= 0.150100 ETOT(band)= 0.011126 trlgG= -0.009579 logG= -0.017363 TDE= -0.136328 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009617 tlogG= -0.008784 logG= -0.018400 Density= 0.151302 ETOT(band)= 0.010700 trlgG= -0.011048 logG= -0.018400 TDE= -0.137913 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009614 tlogG= -0.006626 logG= -0.016240 Density= 0.147459 ETOT(band)= 0.008673 trlgG= -0.010835 logG= -0.016240 TDE= -0.136173 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019202 tlogG= -0.015867 logG= -0.035070 Density= 0.301532 ETOT(band)= 0.021253 trlgG= -0.020569 logG= -0.035070 TDE= -0.275004 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019179 tlogG= -0.014750 logG= -0.033928 Density= 0.299605 ETOT(band)= 0.021400 trlgG= -0.019086 logG= -0.033928 TDE= -0.272811 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003124 tlogG= -0.002527 logG= -0.005651 Density= 0.045377 ETOT(band)= -0.000323 trlgG= -0.006907 logG= -0.005651 TDE= -0.044823 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003079 tlogG= -0.002603 logG= -0.005682 Density= 0.045870 ETOT(band)= 0.000581 trlgG= -0.005881 logG= -0.005682 TDE= -0.044239 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003107 tlogG= -0.002553 logG= -0.005660 Density= 0.045603 ETOT(band)= 0.000078 trlgG= -0.006440 logG= -0.005660 TDE= -0.044564 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009378 tlogG= -0.007368 logG= -0.016746 logGD-logG0= -0.009386 tlogG= -0.007455 logG= -0.016841 Density= 0.136735 ETOT(band)= -0.000657 trlgG= -0.020327 logG= -0.016841 TDE= -0.134767 Density= 0.136611 ETOT(band)= -0.000595 trlgG= -0.020187 logG= -0.016746 TDE= -0.134602 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009307 tlogG= -0.007359 logG= -0.016666 Density= 0.137308 ETOT(band)= 0.001082 trlgG= -0.018150 logG= -0.016666 TDE= -0.133315 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009364 tlogG= -0.007295 logG= -0.016659 Density= 0.136658 ETOT(band)= -0.000202 trlgG= -0.019676 logG= -0.016659 TDE= -0.134223 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009491 tlogG= -0.006359 logG= -0.015850 Density= 0.140233 ETOT(band)= 0.003357 trlgG= -0.015308 logG= -0.015850 TDE= -0.134097 logGD-logG0= -0.009657 tlogG= -0.006512 logG= -0.016169 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.142418 ETOT(band)= 0.004276 trlgG= -0.014961 logG= -0.016169 TDE= -0.135529 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009450 tlogG= -0.005940 logG= -0.015390 Density= 0.138065 ETOT(band)= 0.001049 trlgG= -0.017279 logG= -0.015390 TDE= -0.134446 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009368 tlogG= -0.006525 logG= -0.015893 Density= 0.137649 ETOT(band)= 0.001015 trlgG= -0.017766 logG= -0.015893 TDE= -0.134031 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004742 tlogG= -0.003098 logG= -0.007840 Density= 0.067615 ETOT(band)= -0.001189 trlgG= -0.010455 logG= -0.007840 TDE= -0.067534 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009388 tlogG= -0.006854 logG= -0.016241 Density= 0.137485 ETOT(band)= 0.000288 trlgG= -0.018911 logG= -0.016241 TDE= -0.134670 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004756 tlogG= -0.002575 logG= -0.007330 Density= 0.065329 ETOT(band)= -0.002713 trlgG= -0.011320 logG= -0.007330 TDE= -0.066713 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009396 tlogG= -0.006658 logG= -0.016053 Density= 0.137871 ETOT(band)= 0.000740 trlgG= -0.018256 logG= -0.016053 TDE= -0.134574 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009339 tlogG= -0.006818 logG= -0.016156 Density= 0.138988 ETOT(band)= 0.002952 trlgG= -0.015811 logG= -0.016156 TDE= -0.133099 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009700 tlogG= -0.006520 logG= -0.016220 Density= 0.143088 ETOT(band)= 0.004407 trlgG= -0.014990 logG= -0.016220 TDE= -0.136150 logGD-logG0= -0.018893 tlogG= -0.012112 logG= -0.031005 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278184 ETOT(band)= 0.004066 trlgG= -0.032948 logG= -0.031005 TDE= -0.269030 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018698 tlogG= -0.013755 logG= -0.032453 Density= 0.275768 ETOT(band)= 0.002997 trlgG= -0.034847 logG= -0.032453 TDE= -0.267161 logGD-logG0= -0.018806 tlogG= -0.012351 logG= -0.031158 Density= 0.278865 ETOT(band)= 0.006484 trlgG= -0.030279 logG= -0.031158 TDE= -0.266863 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000384 tlogG= 0.008633 logG= 0.008249 Density= 0.005716 ETOT(band)= 0.000063 trlgG= 0.008208 logG= 0.008249 TDE= -0.005529 logGD-logG0= -0.018766 tlogG= -0.013704 logG= -0.032471 Density= 0.275133 ETOT(band)= 0.001199 trlgG= -0.037056 logG= -0.032471 TDE= -0.268744 logGD-logG0= -0.004833 tlogG= -0.003570 logG= -0.008404 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 Density= 0.074875 ETOT(band)= 0.005153 trlgG= -0.004900 logG= -0.008404 TDE= -0.068384 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009579 tlogG= -0.004870 logG= -0.014448 Density= 0.130775 ETOT(band)= -0.005373 trlgG= -0.022535 logG= -0.014448 TDE= -0.133645 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019083 tlogG= -0.010458 logG= -0.029540 Density= 0.278327 ETOT(band)= 0.004930 trlgG= -0.030460 logG= -0.029540 TDE= -0.268144 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019064 tlogG= -0.010174 logG= -0.029238 Density= 0.263898 ETOT(band)= -0.008426 trlgG= -0.043147 logG= -0.029238 TDE= -0.267280 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009498 tlogG= -0.005454 logG= -0.014952 Density= 0.133140 ETOT(band)= -0.003628 trlgG= -0.021321 logG= -0.014952 TDE= -0.134199 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019228 tlogG= -0.011914 logG= -0.031143 Density= 0.280195 ETOT(band)= 0.004447 trlgG= -0.032782 logG= -0.031143 TDE= -0.270657 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009466 tlogG= -0.006137 logG= -0.015603 Density= 0.138619 ETOT(band)= 0.001569 trlgG= -0.016893 logG= -0.015603 TDE= -0.134378 logGD-logG0= -0.009567 tlogG= -0.005199 logG= -0.014766 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.140025 ETOT(band)= 0.003029 trlgG= -0.014718 logG= -0.014766 TDE= -0.134391 logGD-logG0= -0.019020 tlogG= -0.010536 logG= -0.029556 Density= 0.274842 ETOT(band)= 0.002440 trlgG= -0.032877 logG= -0.029556 TDE= -0.267200 logGD-logG0= -0.009404 tlogG= -0.006624 logG= -0.016028 Density= 0.137819 ETOT(band)= 0.000769 trlgG= -0.018235 logG= -0.016028 TDE= -0.134530 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009717 tlogG= -0.005976 logG= -0.015693 Density= 0.144031 ETOT(band)= 0.006491 trlgG= -0.012255 logG= -0.015693 TDE= -0.134848 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009514 tlogG= -0.005491 logG= -0.015005 Density= 0.135949 ETOT(band)= -0.001171 trlgG= -0.018890 logG= -0.015005 TDE= -0.134411 logGD-logG0= -0.019364 tlogG= -0.012769 logG= -0.032132 Density= 0.285053 ETOT(band)= 0.008262 trlgG= -0.030122 logG= -0.032132 TDE= -0.271672 logGD-logG0= -0.009526 tlogG= -0.005273 logG= -0.014799 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137001 ETOT(band)= 0.000039 trlgG= -0.017538 logG= -0.014799 TDE= -0.134274 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009473 tlogG= -0.005629 logG= -0.015102 Density= 0.133874 ETOT(band)= -0.002938 trlgG= -0.020847 logG= -0.015102 TDE= -0.134279 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009507 tlogG= -0.005136 logG= -0.014644 logGD-logG0= -0.019011 tlogG= -0.011684 logG= -0.030696 Density= 0.136515 ETOT(band)= -0.000321 trlgG= -0.017650 logG= -0.014644 TDE= -0.134076 Density= 0.270288 ETOT(band)= -0.004297 trlgG= -0.040740 logG= -0.030696 TDE= -0.269551 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019105 tlogG= -0.010085 logG= -0.029191 Density= 0.267223 ETOT(band)= -0.005983 trlgG= -0.040718 logG= -0.029191 TDE= -0.268091 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004762 tlogG= -0.002655 logG= -0.007417 Density= 0.068648 ETOT(band)= 0.000107 trlgG= -0.008745 logG= -0.007417 TDE= -0.067238 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009391 tlogG= -0.006841 logG= -0.016232 Density= 0.138423 ETOT(band)= 0.001667 trlgG= -0.017289 logG= -0.016232 TDE= -0.133958 logGD-logG0= -0.019163 tlogG= -0.011145 logG= -0.030307 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278282 ETOT(band)= 0.003920 trlgG= -0.032298 logG= -0.030307 TDE= -0.269171 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019060 tlogG= -0.010606 logG= -0.029666 Density= 0.272554 ETOT(band)= -0.001480 trlgG= -0.036797 logG= -0.029666 TDE= -0.268812 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009679 tlogG= -0.007137 logG= -0.016816 Density= 0.147721 ETOT(band)= 0.009296 trlgG= -0.010813 logG= -0.016816 TDE= -0.135826 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009618 tlogG= -0.007550 logG= -0.017168 Density= 0.149115 ETOT(band)= 0.010965 trlgG= -0.009522 logG= -0.017168 TDE= -0.135521 logGD-logG0= -0.009429 tlogG= -0.005617 logG= -0.015046 Density= 0.136943 ETOT(band)= 0.000463 trlgG= -0.017522 logG= -0.015046 TDE= -0.133956 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009265 tlogG= -0.008817 logG= -0.018082 Density= 0.139382 ETOT(band)= 0.003667 trlgG= -0.016844 logG= -0.018082 TDE= -0.132584 logGD-logG0= -0.009493 tlogG= -0.006017 logG= -0.015510 Density= 0.135895 ETOT(band)= -0.001381 trlgG= -0.019755 logG= -0.015510 TDE= -0.134719 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019404 tlogG= -0.012755 logG= -0.032159 Density= 0.289556 ETOT(band)= 0.014910 trlgG= -0.023364 logG= -0.032159 TDE= -0.269210 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009559 tlogG= -0.006576 logG= -0.016134 Density= 0.143412 ETOT(band)= 0.006723 trlgG= -0.012312 logG= -0.016134 TDE= -0.133869 logGD-logG0= -0.009315 tlogG= -0.007752 logG= -0.017067 Density= 0.138541 ETOT(band)= 0.002875 trlgG= -0.016565 logG= -0.017067 TDE= -0.132512 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018973 tlogG= -0.010849 logG= -0.029822 Density= 0.271652 ETOT(band)= -0.001769 trlgG= -0.037404 logG= -0.029822 TDE= -0.268397 logGD-logG0= -0.009611 tlogG= -0.007183 logG= -0.016794 Density= 0.144763 ETOT(band)= 0.008310 trlgG= -0.011289 logG= -0.016794 TDE= -0.133483 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018873 tlogG= -0.012263 logG= -0.031136 Density= 0.278000 ETOT(band)= 0.004470 trlgG= -0.032470 logG= -0.031136 TDE= -0.268245 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018996 tlogG= -0.011461 logG= -0.030458 Density= 0.275434 ETOT(band)= 0.001337 trlgG= -0.034897 logG= -0.030458 TDE= -0.268887 logGD-logG0= -0.019126 tlogG= -0.012063 logG= -0.031189 Density= 0.281378 ETOT(band)= 0.006889 trlgG= -0.030286 logG= -0.031189 TDE= -0.269250 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018873 tlogG= -0.011964 logG= -0.030837 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.277878 ETOT(band)= 0.004059 trlgG= -0.032745 logG= -0.030837 TDE= -0.268702 logGD-logG0= -0.009297 tlogG= -0.007981 logG= -0.017278 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138803 ETOT(band)= 0.003250 trlgG= -0.016451 logG= -0.017278 TDE= -0.132439 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009329 tlogG= -0.008435 logG= -0.017764 Density= 0.140803 ETOT(band)= 0.005013 trlgG= -0.015316 logG= -0.017764 TDE= -0.132739 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009381 tlogG= -0.007328 logG= -0.016709 Density= 0.140935 ETOT(band)= 0.005210 trlgG= -0.014165 logG= -0.016709 TDE= -0.132769 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009369 tlogG= -0.006889 logG= -0.016259 Density= 0.139326 ETOT(band)= 0.003923 trlgG= -0.014919 logG= -0.016259 TDE= -0.132429 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009342 tlogG= -0.007326 logG= -0.016668 Density= 0.136879 ETOT(band)= 0.000195 trlgG= -0.019201 logG= -0.016668 TDE= -0.133952 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018639 tlogG= -0.015765 logG= -0.034404 Density= 0.280305 ETOT(band)= 0.009041 trlgG= -0.030362 logG= -0.034404 TDE= -0.265081 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002318 tlogG= -0.002345 logG= -0.004663 Density= 0.034868 ETOT(band)= 0.000933 trlgG= -0.004367 logG= -0.004663 TDE= -0.033181 logGD-logG0= -0.018800 tlogG= -0.011632 logG= -0.030432 Density= 0.276580 ETOT(band)= 0.004084 trlgG= -0.032129 logG= -0.030432 TDE= -0.267245 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009567 tlogG= -0.005009 logG= -0.014577 Density= 0.130561 ETOT(band)= -0.004874 trlgG= -0.022149 logG= -0.014577 TDE= -0.132925 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018977 tlogG= -0.013240 logG= -0.032216 Density= 0.284553 ETOT(band)= 0.012621 trlgG= -0.025291 logG= -0.032216 TDE= -0.266277 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009264 tlogG= -0.009047 logG= -0.018310 Density= 0.139575 ETOT(band)= 0.003856 trlgG= -0.016951 logG= -0.018310 TDE= -0.132647 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009425 tlogG= -0.007531 logG= -0.016956 Density= 0.142390 ETOT(band)= 0.006478 trlgG= -0.013143 logG= -0.016956 TDE= -0.132897 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009591 tlogG= -0.005695 logG= -0.015286 Density= 0.141508 ETOT(band)= 0.005479 trlgG= -0.012827 logG= -0.015286 TDE= -0.133404 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018748 tlogG= -0.013978 logG= -0.032725 Density= 0.277512 ETOT(band)= 0.006244 trlgG= -0.031560 logG= -0.032725 TDE= -0.265276 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004650 tlogG= -0.004022 logG= -0.008672 Density= 0.069917 ETOT(band)= 0.002136 trlgG= -0.007776 logG= -0.008672 TDE= -0.066232 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002365 tlogG= -0.001971 logG= -0.004336 Density= 0.035778 ETOT(band)= 0.001749 trlgG= -0.003249 logG= -0.004336 TDE= -0.033264 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009418 tlogG= -0.006354 logG= -0.015772 Density= 0.137450 ETOT(band)= 0.001732 trlgG= -0.016856 logG= -0.015772 TDE= -0.133051 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009529 tlogG= -0.005325 logG= -0.014853 Density= 0.133851 ETOT(band)= -0.001791 trlgG= -0.019424 logG= -0.014853 TDE= -0.133083 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003088 tlogG= 0.069475 logG= 0.066387 Density= 0.046194 ETOT(band)= 0.000950 trlgG= 0.066520 logG= 0.066387 TDE= -0.044217 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002309 tlogG= 0.051913 logG= 0.049604 Density= 0.034446 ETOT(band)= 0.000523 trlgG= 0.049502 logG= 0.049604 TDE= -0.033174 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004740 tlogG= -0.002824 logG= -0.007563 Density= 0.068468 ETOT(band)= 0.000864 trlgG= -0.008087 logG= -0.007563 TDE= -0.066260 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009726 tlogG= -0.006721 logG= -0.016446 Density= 0.145725 ETOT(band)= 0.008853 trlgG= -0.010713 logG= -0.016446 TDE= -0.134179 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009406 tlogG= -0.006670 logG= -0.016076 Density= 0.140775 ETOT(band)= 0.005301 trlgG= -0.013552 logG= -0.016076 TDE= -0.132635 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003078 tlogG= 0.069191 logG= 0.066113 Density= 0.045845 ETOT(band)= 0.000631 trlgG= 0.065902 logG= 0.066113 TDE= -0.044228 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009260 tlogG= 0.208444 logG= 0.199184 Density= 0.138555 ETOT(band)= 0.002885 trlgG= 0.199537 logG= 0.199184 TDE= -0.132675 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003108 tlogG= 0.069873 logG= 0.066766 Density= 0.046265 ETOT(band)= 0.001051 trlgG= 0.067015 logG= 0.066766 TDE= -0.044170 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009297 tlogG= 0.209144 logG= 0.199847 Density= 0.139054 ETOT(band)= 0.003407 trlgG= 0.200758 logG= 0.199847 TDE= -0.132596 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.018914 tlogG= -0.011703 logG= -0.030617 Density= 0.277117 ETOT(band)= 0.006114 trlgG= -0.030168 logG= -0.030617 TDE= -0.265613 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009361 tlogG= -0.007407 logG= -0.016768 Density= 0.137545 ETOT(band)= 0.001632 trlgG= -0.017661 logG= -0.016768 TDE= -0.132952 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002418 tlogG= -0.001868 logG= -0.004286 Density= 0.036970 ETOT(band)= 0.002628 trlgG= -0.002447 logG= -0.004286 TDE= -0.033657 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004622 tlogG= 0.104039 logG= 0.099417 Density= 0.069133 ETOT(band)= 0.001276 trlgG= 0.099453 logG= 0.099417 TDE= -0.066340 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.58370688735457 eV TrLogG= -13.7178547699360 eV Ratio to renormalize= 0.999999999840 rho-rho_expected= 0.000000002567 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 85) Finished k-point number 86 1 with #bands= 20 93) Finished k-point number 94 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 59) Finished k-point number 60 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 38) Finished k-point number 39 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 99) Finished k-point number 100 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931264974199272 0.927891982132488 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 27) Finished k-point number 28 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 23) Finished k-point number 24 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 20) Finished k-point number 21 1 with #bands= 26 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 24) Finished k-point number 25 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 94) Finished k-point number 95 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 33) Finished k-point number 34 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0629551802177 Density= 16.0011973295263 16.0000000000000 EF 12.7908413481041 Density= 15.3752700139853 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96010958 0.94010958 0.119733E-02 -0.624730 1 0.96007132 0.94010958 0.175895E-03 -0.624730 2 0.96006474 0.96007132 -0.418567E-08 0.175895E-03 3 0.96006474 0.96006474 0.184741E-12 -0.418567E-08 Absolute convergence of |F(X)|. Difference in EF= -0.0006101324 EF set to : 13.0623450478 new EF (no-mixing): 13.0623450478 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001200 tlogG= -0.001246 logG= -0.002446 Density= 0.018981 ETOT(band)= 0.001242 trlgG= -0.001610 logG= -0.002446 TDE= -0.017386 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009576 tlogG= -0.009510 logG= -0.019086 Density= 0.151750 ETOT(band)= 0.010201 trlgG= -0.012137 logG= -0.019086 TDE= -0.138740 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002392 tlogG= -0.002398 logG= -0.004791 Density= 0.037914 ETOT(band)= 0.002582 trlgG= -0.003025 logG= -0.004791 TDE= -0.034634 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004784 tlogG= -0.004608 logG= -0.009392 Density= 0.075852 ETOT(band)= 0.005183 trlgG= -0.005836 logG= -0.009392 TDE= -0.069267 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002397 tlogG= -0.002075 logG= -0.004472 Density= 0.037488 ETOT(band)= 0.002640 trlgG= -0.002694 logG= -0.004472 TDE= -0.034214 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001565 tlogG= -0.001316 logG= -0.002882 Density= 0.022773 ETOT(band)= -0.000166 trlgG= -0.003494 logG= -0.002882 TDE= -0.022475 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009606 tlogG= -0.008652 logG= -0.018257 logGD-logG0= -0.009602 tlogG= -0.008045 logG= -0.017647 Density= 0.150885 ETOT(band)= 0.010735 trlgG= -0.010913 logG= -0.018257 TDE= -0.137515 Density= 0.150696 ETOT(band)= 0.010665 trlgG= -0.010355 logG= -0.017647 TDE= -0.137386 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004804 tlogG= -0.004186 logG= -0.008990 Density= 0.075535 ETOT(band)= 0.005242 trlgG= -0.005442 logG= -0.008990 TDE= -0.068971 logGD-logG0= -0.009622 tlogG= -0.006674 logG= -0.016297 Density= 0.143864 ETOT(band)= 0.005023 trlgG= -0.014469 logG= -0.016297 TDE= -0.136291 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009617 tlogG= -0.008784 logG= -0.018400 Density= 0.151307 ETOT(band)= 0.010699 trlgG= -0.011048 logG= -0.018400 TDE= -0.137911 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009576 tlogG= -0.007787 logG= -0.017363 Density= 0.150106 ETOT(band)= 0.011126 trlgG= -0.009578 logG= -0.017363 TDE= -0.136326 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019178 tlogG= -0.014750 logG= -0.033929 Density= 0.299614 ETOT(band)= 0.021397 trlgG= -0.019087 logG= -0.033929 TDE= -0.272807 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019202 tlogG= -0.015867 logG= -0.035069 Density= 0.301543 ETOT(band)= 0.021251 trlgG= -0.020568 logG= -0.035069 TDE= -0.275000 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009613 tlogG= -0.006626 logG= -0.016240 Density= 0.147463 ETOT(band)= 0.008672 trlgG= -0.010836 logG= -0.016240 TDE= -0.136171 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003125 tlogG= -0.002527 logG= -0.005652 Density= 0.045378 ETOT(band)= -0.000324 trlgG= -0.006909 logG= -0.005652 TDE= -0.044823 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003107 tlogG= -0.002553 logG= -0.005660 Density= 0.045604 ETOT(band)= 0.000077 trlgG= -0.006441 logG= -0.005660 TDE= -0.044564 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003079 tlogG= -0.002603 logG= -0.005681 Density= 0.045871 ETOT(band)= 0.000579 trlgG= -0.005882 logG= -0.005681 TDE= -0.044239 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009386 tlogG= -0.007456 logG= -0.016842 Density= 0.136737 ETOT(band)= -0.000661 trlgG= -0.020330 logG= -0.016842 TDE= -0.134766 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009379 tlogG= -0.007370 logG= -0.016749 Density= 0.136614 ETOT(band)= -0.000598 trlgG= -0.020192 logG= -0.016749 TDE= -0.134601 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009307 tlogG= -0.007361 logG= -0.016668 Density= 0.137310 ETOT(band)= 0.001078 trlgG= -0.018156 logG= -0.016668 TDE= -0.133314 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009363 tlogG= -0.007293 logG= -0.016656 Density= 0.136661 ETOT(band)= -0.000206 trlgG= -0.019675 logG= -0.016656 TDE= -0.134223 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009395 tlogG= -0.006657 logG= -0.016052 Density= 0.137871 ETOT(band)= 0.000735 trlgG= -0.018259 logG= -0.016052 TDE= -0.134573 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009618 tlogG= -0.007550 logG= -0.017168 Density= 0.149121 ETOT(band)= 0.010965 trlgG= -0.009522 logG= -0.017168 TDE= -0.135519 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009490 tlogG= -0.006361 logG= -0.015851 Density= 0.140233 ETOT(band)= 0.003350 trlgG= -0.015314 logG= -0.015851 TDE= -0.134096 logGD-logG0= -0.009656 tlogG= -0.006511 logG= -0.016167 Density= 0.142414 ETOT(band)= 0.004267 trlgG= -0.014968 logG= -0.016167 TDE= -0.135528 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009679 tlogG= -0.007136 logG= -0.016815 Density= 0.147724 ETOT(band)= 0.009293 trlgG= -0.010814 logG= -0.016815 TDE= -0.135824 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009370 tlogG= -0.006529 logG= -0.015900 Density= 0.137651 ETOT(band)= 0.001012 trlgG= -0.017776 logG= -0.015900 TDE= -0.134030 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009391 tlogG= -0.006841 logG= -0.016232 Density= 0.138425 ETOT(band)= 0.001663 trlgG= -0.017292 logG= -0.016232 TDE= -0.133957 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009339 tlogG= -0.006818 logG= -0.016157 Density= 0.138989 ETOT(band)= 0.002946 trlgG= -0.015817 logG= -0.016157 TDE= -0.133098 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009450 tlogG= -0.005940 logG= -0.015390 Density= 0.138064 ETOT(band)= 0.001042 trlgG= -0.017284 logG= -0.015390 TDE= -0.134445 logGD-logG0= -0.009467 tlogG= -0.006139 logG= -0.015605 Density= 0.138617 ETOT(band)= 0.001562 trlgG= -0.016901 logG= -0.015605 TDE= -0.134377 logGD-logG0= -0.004742 tlogG= -0.003098 logG= -0.007841 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.067617 ETOT(band)= -0.001190 trlgG= -0.010458 logG= -0.007841 TDE= -0.067533 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009559 tlogG= -0.006573 logG= -0.016132 Density= 0.143412 ETOT(band)= 0.006717 trlgG= -0.012314 logG= -0.016132 TDE= -0.133868 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009404 tlogG= -0.006625 logG= -0.016029 Density= 0.137821 ETOT(band)= 0.000765 trlgG= -0.018240 logG= -0.016029 TDE= -0.134528 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009429 tlogG= -0.005618 logG= -0.015048 Density= 0.136944 ETOT(band)= 0.000458 trlgG= -0.017528 logG= -0.015048 TDE= -0.133955 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009388 tlogG= -0.006855 logG= -0.016243 Density= 0.137485 ETOT(band)= 0.000283 trlgG= -0.018917 logG= -0.016243 TDE= -0.134669 logGD-logG0= -0.004755 tlogG= -0.002574 logG= -0.007329 logGD-logG0= -0.009342 tlogG= -0.007327 logG= -0.016669 Density= 0.136881 ETOT(band)= 0.000191 trlgG= -0.019205 logG= -0.016669 TDE= -0.133951 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.065336 ETOT(band)= -0.002709 trlgG= -0.011314 logG= -0.007329 TDE= -0.066712 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009474 tlogG= -0.005630 logG= -0.015103 Density= 0.133881 ETOT(band)= -0.002936 trlgG= -0.020846 logG= -0.015103 TDE= -0.134278 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009494 tlogG= -0.006018 logG= -0.015511 Density= 0.135898 ETOT(band)= -0.001384 trlgG= -0.019759 logG= -0.015511 TDE= -0.134718 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018872 tlogG= -0.011967 logG= -0.030839 Density= 0.277878 ETOT(band)= 0.004046 trlgG= -0.032758 logG= -0.030839 TDE= -0.268699 logGD-logG0= -0.009700 tlogG= -0.006520 logG= -0.016220 Density= 0.143082 ETOT(band)= 0.004396 trlgG= -0.015000 logG= -0.016220 TDE= -0.136148 logGD-logG0= -0.019363 tlogG= -0.012770 logG= -0.032133 Density= 0.285043 ETOT(band)= 0.008241 trlgG= -0.030142 logG= -0.032133 TDE= -0.271669 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018766 tlogG= -0.013708 logG= -0.032474 Density= 0.275138 ETOT(band)= 0.001191 trlgG= -0.037065 logG= -0.032474 TDE= -0.268742 logGD-logG0= -0.019126 tlogG= -0.012065 logG= -0.031192 Density= 0.281376 ETOT(band)= 0.006877 trlgG= -0.030300 logG= -0.031192 TDE= -0.269247 logGD-logG0= -0.018892 tlogG= -0.012118 logG= -0.031010 logGD-logG0= -0.018972 tlogG= -0.010847 logG= -0.029820 Density= 0.271643 ETOT(band)= -0.001790 trlgG= -0.037420 logG= -0.029820 TDE= -0.268395 Density= 0.278181 ETOT(band)= 0.004051 trlgG= -0.032966 logG= -0.031010 TDE= -0.269027 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018995 tlogG= -0.011458 logG= -0.030453 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018874 tlogG= -0.012263 logG= -0.031137 Density= 0.277999 ETOT(band)= 0.004458 trlgG= -0.032482 logG= -0.031137 TDE= -0.268242 Density= 0.275439 ETOT(band)= 0.001330 trlgG= -0.034898 logG= -0.030453 TDE= -0.268884 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019062 tlogG= -0.010174 logG= -0.029236 Density= 0.263866 ETOT(band)= -0.008471 trlgG= -0.043185 logG= -0.029236 TDE= -0.267278 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004833 tlogG= -0.003570 logG= -0.008404 Density= 0.074877 ETOT(band)= 0.005153 trlgG= -0.004900 logG= -0.008404 TDE= -0.068383 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018806 tlogG= -0.012351 logG= -0.031157 Density= 0.278865 ETOT(band)= 0.006472 trlgG= -0.030289 logG= -0.031157 TDE= -0.266860 logGD-logG0= -0.018698 tlogG= -0.013756 logG= -0.032454 Density= 0.275772 ETOT(band)= 0.002989 trlgG= -0.034854 logG= -0.032454 TDE= -0.267160 logGD-logG0= -0.018798 tlogG= -0.011642 logG= -0.030440 Density= 0.276574 ETOT(band)= 0.004064 trlgG= -0.032154 logG= -0.030440 TDE= -0.267243 logGD-logG0= -0.019011 tlogG= -0.011685 logG= -0.030697 Density= 0.270289 ETOT(band)= -0.004307 trlgG= -0.040750 logG= -0.030697 TDE= -0.269549 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009580 tlogG= -0.004873 logG= -0.014453 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.130766 ETOT(band)= -0.005385 trlgG= -0.022553 logG= -0.014453 TDE= -0.133644 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000384 tlogG= 0.008633 logG= 0.008248 Density= 0.005716 ETOT(band)= 0.000063 trlgG= 0.008208 logG= 0.008248 TDE= -0.005529 logGD-logG0= -0.009498 tlogG= -0.005456 logG= -0.014954 Density= 0.133143 ETOT(band)= -0.003631 trlgG= -0.021326 logG= -0.014954 TDE= -0.134198 logGD-logG0= -0.019403 tlogG= -0.012756 logG= -0.032159 Density= 0.289540 ETOT(band)= 0.014883 trlgG= -0.023389 logG= -0.032159 TDE= -0.269207 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009568 tlogG= -0.005200 logG= -0.014767 Density= 0.140026 ETOT(band)= 0.003025 trlgG= -0.014723 logG= -0.014767 TDE= -0.134390 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019084 tlogG= -0.010457 logG= -0.029542 logGD-logG0= -0.019020 tlogG= -0.010537 logG= -0.029558 Density= 0.274836 ETOT(band)= 0.002423 trlgG= -0.032894 logG= -0.029558 TDE= -0.267197 Density= 0.278316 ETOT(band)= 0.004909 trlgG= -0.030481 logG= -0.029542 TDE= -0.268142 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019104 tlogG= -0.010085 logG= -0.029189 Density= 0.267224 ETOT(band)= -0.005994 trlgG= -0.040726 logG= -0.029189 TDE= -0.268089 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019227 tlogG= -0.011913 logG= -0.031141 logGD-logG0= -0.009717 tlogG= -0.005976 logG= -0.015693 Density= 0.280184 ETOT(band)= 0.004425 trlgG= -0.032800 logG= -0.031141 TDE= -0.270654 Density= 0.144030 ETOT(band)= 0.006485 trlgG= -0.012261 logG= -0.015693 TDE= -0.134847 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019058 tlogG= -0.010607 logG= -0.029665 Density= 0.272551 ETOT(band)= -0.001495 trlgG= -0.036808 logG= -0.029665 TDE= -0.268810 logGD-logG0= -0.019163 tlogG= -0.011147 logG= -0.030310 Density= 0.278279 ETOT(band)= 0.003907 trlgG= -0.032313 logG= -0.030310 TDE= -0.269169 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009526 tlogG= -0.005273 logG= -0.014800 Density= 0.137000 ETOT(band)= 0.000033 trlgG= -0.017544 logG= -0.014800 TDE= -0.134273 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009516 tlogG= -0.005494 logG= -0.015010 Density= 0.135949 ETOT(band)= -0.001177 trlgG= -0.018900 logG= -0.015010 TDE= -0.134410 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009507 tlogG= -0.005138 logG= -0.014644 Density= 0.136516 ETOT(band)= -0.000326 trlgG= -0.017655 logG= -0.014644 TDE= -0.134075 logGD-logG0= -0.004762 tlogG= -0.002655 logG= -0.007417 Density= 0.068649 ETOT(band)= 0.000105 trlgG= -0.008748 logG= -0.007417 TDE= -0.067238 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002418 tlogG= -0.001868 logG= -0.004286 Density= 0.036971 ETOT(band)= 0.002627 trlgG= -0.002448 logG= -0.004286 TDE= -0.033656 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002318 tlogG= -0.002345 logG= -0.004663 Density= 0.034869 ETOT(band)= 0.000932 trlgG= -0.004368 logG= -0.004663 TDE= -0.033181 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009360 tlogG= -0.007407 logG= -0.016767 Density= 0.137548 ETOT(band)= 0.001628 trlgG= -0.017663 logG= -0.016767 TDE= -0.132951 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004649 tlogG= -0.004021 logG= -0.008671 Density= 0.069918 ETOT(band)= 0.002133 trlgG= -0.007777 logG= -0.008671 TDE= -0.066231 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009329 tlogG= -0.008434 logG= -0.017763 Density= 0.140804 ETOT(band)= 0.005008 trlgG= -0.015319 logG= -0.017763 TDE= -0.132738 logGD-logG0= -0.009296 tlogG= -0.007980 logG= -0.017277 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.138804 ETOT(band)= 0.003244 trlgG= -0.016454 logG= -0.017277 TDE= -0.132438 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009315 tlogG= -0.007752 logG= -0.017067 Density= 0.138543 ETOT(band)= 0.002870 trlgG= -0.016569 logG= -0.017067 TDE= -0.132512 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009381 tlogG= -0.007328 logG= -0.016709 Density= 0.140935 ETOT(band)= 0.005205 trlgG= -0.014170 logG= -0.016709 TDE= -0.132768 logGD-logG0= -0.009611 tlogG= -0.007183 logG= -0.016794 Density= 0.144763 ETOT(band)= 0.008303 trlgG= -0.011294 logG= -0.016794 TDE= -0.133481 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002365 tlogG= -0.001971 logG= -0.004336 Density= 0.035778 ETOT(band)= 0.001747 trlgG= -0.003250 logG= -0.004336 TDE= -0.033264 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009265 tlogG= -0.008817 logG= -0.018082 Density= 0.139383 ETOT(band)= 0.003662 trlgG= -0.016848 logG= -0.018082 TDE= -0.132583 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009369 tlogG= -0.006889 logG= -0.016258 Density= 0.139328 ETOT(band)= 0.003920 trlgG= -0.014923 logG= -0.016258 TDE= -0.132428 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009417 tlogG= -0.006352 logG= -0.015769 Density= 0.137453 ETOT(band)= 0.001729 trlgG= -0.016855 logG= -0.015769 TDE= -0.133050 logGD-logG0= -0.009529 tlogG= -0.005324 logG= -0.014853 Density= 0.133834 ETOT(band)= -0.001814 trlgG= -0.019445 logG= -0.014853 TDE= -0.133082 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004740 tlogG= -0.002826 logG= -0.007565 Density= 0.068483 ETOT(band)= 0.000876 trlgG= -0.008077 logG= -0.007565 TDE= -0.066260 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018977 tlogG= -0.013240 logG= -0.032218 Density= 0.284551 ETOT(band)= 0.012608 trlgG= -0.025305 logG= -0.032218 TDE= -0.266274 logGD-logG0= -0.009264 tlogG= -0.009047 logG= -0.018311 Density= 0.139576 ETOT(band)= 0.003851 trlgG= -0.016956 logG= -0.018311 TDE= -0.132646 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018638 tlogG= -0.015766 logG= -0.034404 Density= 0.280306 ETOT(band)= 0.009030 trlgG= -0.030371 logG= -0.034404 TDE= -0.265080 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018748 tlogG= -0.013981 logG= -0.032729 Density= 0.277514 ETOT(band)= 0.006234 trlgG= -0.031572 logG= -0.032729 TDE= -0.265275 logGD-logG0= -0.009591 tlogG= -0.005696 logG= -0.015287 Density= 0.141505 ETOT(band)= 0.005471 trlgG= -0.012835 logG= -0.015287 TDE= -0.133402 logGD-logG0= -0.009726 tlogG= -0.006721 logG= -0.016446 Density= 0.145727 ETOT(band)= 0.008849 trlgG= -0.010717 logG= -0.016446 TDE= -0.134177 logGD-logG0= -0.009425 tlogG= -0.007531 logG= -0.016956 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.142390 ETOT(band)= 0.006472 trlgG= -0.013149 logG= -0.016956 TDE= -0.132896 logGD-logG0= -0.009567 tlogG= -0.005007 logG= -0.014574 Density= 0.130562 ETOT(band)= -0.004878 trlgG= -0.022150 logG= -0.014574 TDE= -0.132924 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018913 tlogG= -0.011697 logG= -0.030609 Density= 0.277106 ETOT(band)= 0.006091 trlgG= -0.030180 logG= -0.030609 TDE= -0.265611 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009404 tlogG= -0.006669 logG= -0.016073 Density= 0.140775 ETOT(band)= 0.005294 trlgG= -0.013554 logG= -0.016073 TDE= -0.132634 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003089 tlogG= 0.069472 logG= 0.066383 Density= 0.046194 ETOT(band)= 0.000949 trlgG= 0.066515 logG= 0.066383 TDE= -0.044217 logGD-logG0= -0.003078 tlogG= 0.069187 logG= 0.066109 Density= 0.045846 ETOT(band)= 0.000630 trlgG= 0.065897 logG= 0.066109 TDE= -0.044227 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003108 tlogG= 0.069870 logG= 0.066763 Density= 0.046265 ETOT(band)= 0.001049 trlgG= 0.067011 logG= 0.066763 TDE= -0.044170 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002309 tlogG= 0.051910 logG= 0.049601 Density= 0.034447 ETOT(band)= 0.000522 trlgG= 0.049498 logG= 0.049601 TDE= -0.033174 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009296 tlogG= 0.209134 logG= 0.199838 Density= 0.139056 ETOT(band)= 0.003403 trlgG= 0.200745 logG= 0.199838 TDE= -0.132595 logGD-logG0= -0.004621 tlogG= 0.104034 logG= 0.099413 Density= 0.069134 ETOT(band)= 0.001273 trlgG= 0.099446 logG= 0.099413 TDE= -0.066339 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009260 tlogG= 0.208433 logG= 0.199173 Density= 0.138557 ETOT(band)= 0.002881 trlgG= 0.199523 logG= 0.199173 TDE= -0.132674 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.57450864090319 eV TrLogG= -13.7266531605171 eV Ratio to renormalize= 0.999999999719 rho-rho_expected= 0.000000004498 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 80) Finished k-point number 81 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 88) Finished k-point number 89 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 41) Finished k-point number 42 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 55) Finished k-point number 56 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 57) Finished k-point number 58 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 103) Finished k-point number 104 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 96) Finished k-point number 97 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931380512809913 0.928011191426085 87) Finished k-point number 88 1 with #bands= 18 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 7) Finished k-point number 8 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 43) Finished k-point number 44 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 25) Finished k-point number 26 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 57) Finished k-point number 58 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 59) Finished k-point number 60 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0623450477940 Density= 16.0084170424355 16.0000000000000 EF 12.7902312156804 Density= 15.3862331780070 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96006474 0.94006474 0.841704E-02 -0.613767 1 0.95979417 0.94006474 0.121989E-02 -0.613767 2 0.95974841 0.95979417 -0.177795E-06 0.121989E-02 3 0.95974841 0.95974841 0.553371E-10 -0.177795E-06 Absolute convergence of |F(X)|. Difference in EF= -0.0043038406 EF set to : 13.0580412072 new EF (no-mixing): 13.0580412072 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001200 tlogG= -0.001246 logG= -0.002446 Density= 0.018984 ETOT(band)= 0.001240 trlgG= -0.001611 logG= -0.002446 TDE= -0.017385 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009575 tlogG= -0.009508 logG= -0.019083 Density= 0.151775 ETOT(band)= 0.010184 trlgG= -0.012145 logG= -0.019083 TDE= -0.138728 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002392 tlogG= -0.002398 logG= -0.004790 Density= 0.037921 ETOT(band)= 0.002578 trlgG= -0.003026 logG= -0.004790 TDE= -0.034631 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004783 tlogG= -0.004607 logG= -0.009390 Density= 0.075865 ETOT(band)= 0.005175 trlgG= -0.005839 logG= -0.009390 TDE= -0.069260 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002396 tlogG= -0.002075 logG= -0.004471 Density= 0.037497 ETOT(band)= 0.002639 trlgG= -0.002694 logG= -0.004471 TDE= -0.034211 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009604 tlogG= -0.008650 logG= -0.018254 Density= 0.150915 ETOT(band)= 0.010723 trlgG= -0.010916 logG= -0.018254 TDE= -0.137503 logGD-logG0= -0.004803 tlogG= -0.004184 logG= -0.008987 Density= 0.075549 ETOT(band)= 0.005234 trlgG= -0.005444 logG= -0.008987 TDE= -0.068965 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001565 tlogG= -0.001317 logG= -0.002882 Density= 0.022776 ETOT(band)= -0.000171 trlgG= -0.003498 logG= -0.002882 TDE= -0.022474 logGD-logG0= -0.009601 tlogG= -0.008044 logG= -0.017645 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.150729 ETOT(band)= 0.010656 trlgG= -0.010357 logG= -0.017645 TDE= -0.137374 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009622 tlogG= -0.006673 logG= -0.016295 Density= 0.143825 ETOT(band)= 0.004946 trlgG= -0.014539 logG= -0.016295 TDE= -0.136280 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009615 tlogG= -0.008782 logG= -0.018398 logGD-logG0= -0.009575 tlogG= -0.007785 logG= -0.017360 Density= 0.151335 ETOT(band)= 0.010685 trlgG= -0.011054 logG= -0.018398 TDE= -0.137899 Density= 0.150138 ETOT(band)= 0.011117 trlgG= -0.009580 logG= -0.017360 TDE= -0.136315 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019177 tlogG= -0.014747 logG= -0.033923 Density= 0.299670 ETOT(band)= 0.021369 trlgG= -0.019101 logG= -0.033923 TDE= -0.272785 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019200 tlogG= -0.015864 logG= -0.035064 Density= 0.301604 ETOT(band)= 0.021228 trlgG= -0.020577 logG= -0.035064 TDE= -0.274976 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009613 tlogG= -0.006625 logG= -0.016238 Density= 0.147480 ETOT(band)= 0.008648 trlgG= -0.010854 logG= -0.016238 TDE= -0.136160 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003079 tlogG= -0.002603 logG= -0.005682 Density= 0.045875 ETOT(band)= 0.000569 trlgG= -0.005891 logG= -0.005682 TDE= -0.044238 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003124 tlogG= -0.002528 logG= -0.005652 Density= 0.045384 ETOT(band)= -0.000333 trlgG= -0.006916 logG= -0.005652 TDE= -0.044821 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003107 tlogG= -0.002554 logG= -0.005661 logGD-logG0= -0.009385 tlogG= -0.007459 logG= -0.016844 Density= 0.136752 ETOT(band)= -0.000688 trlgG= -0.020356 logG= -0.016844 TDE= -0.134760 Density= 0.045609 ETOT(band)= 0.000068 trlgG= -0.006450 logG= -0.005661 TDE= -0.044562 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009378 tlogG= -0.007371 logG= -0.016749 Density= 0.136630 ETOT(band)= -0.000625 trlgG= -0.020214 logG= -0.016749 TDE= -0.134595 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009363 tlogG= -0.007298 logG= -0.016661 Density= 0.136675 ETOT(band)= -0.000234 trlgG= -0.019703 logG= -0.016661 TDE= -0.134217 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009395 tlogG= -0.006659 logG= -0.016053 Density= 0.137881 ETOT(band)= 0.000703 trlgG= -0.018288 logG= -0.016053 TDE= -0.134565 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009307 tlogG= -0.007364 logG= -0.016671 Density= 0.137323 ETOT(band)= 0.001047 trlgG= -0.018184 logG= -0.016671 TDE= -0.133309 logGD-logG0= -0.009391 tlogG= -0.006836 logG= -0.016226 Density= 0.138431 ETOT(band)= 0.001627 trlgG= -0.017317 logG= -0.016226 TDE= -0.133950 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009678 tlogG= -0.007135 logG= -0.016813 Density= 0.147743 ETOT(band)= 0.009271 trlgG= -0.010830 logG= -0.016813 TDE= -0.135813 logGD-logG0= -0.009342 tlogG= -0.007330 logG= -0.016673 Density= 0.136896 ETOT(band)= 0.000163 trlgG= -0.019233 logG= -0.016673 TDE= -0.133946 logGD-logG0= -0.009616 tlogG= -0.007548 logG= -0.017165 Density= 0.149151 ETOT(band)= 0.010953 trlgG= -0.009526 logG= -0.017165 TDE= -0.135509 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009368 tlogG= -0.006528 logG= -0.015896 Density= 0.137662 ETOT(band)= 0.000979 trlgG= -0.017799 logG= -0.015896 TDE= -0.134023 logGD-logG0= -0.009490 tlogG= -0.006360 logG= -0.015850 Density= 0.140222 ETOT(band)= 0.003300 trlgG= -0.015359 logG= -0.015850 TDE= -0.134087 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009403 tlogG= -0.006627 logG= -0.016030 Density= 0.137828 ETOT(band)= 0.000729 trlgG= -0.018271 logG= -0.016030 TDE= -0.134521 logGD-logG0= -0.009654 tlogG= -0.006513 logG= -0.016167 Density= 0.142387 ETOT(band)= 0.004200 trlgG= -0.015029 logG= -0.016167 TDE= -0.135518 logGD-logG0= -0.009450 tlogG= -0.005942 logG= -0.015392 Density= 0.138065 ETOT(band)= 0.001002 trlgG= -0.017321 logG= -0.015392 TDE= -0.134437 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009338 tlogG= -0.006818 logG= -0.016157 Density= 0.138993 ETOT(band)= 0.002909 trlgG= -0.015849 logG= -0.016157 TDE= -0.133091 logGD-logG0= -0.004754 tlogG= -0.002575 logG= -0.007329 Density= 0.065332 ETOT(band)= -0.002733 trlgG= -0.011336 logG= -0.007329 TDE= -0.066709 logGD-logG0= -0.004742 tlogG= -0.003099 logG= -0.007841 Density= 0.067621 ETOT(band)= -0.001206 trlgG= -0.010471 logG= -0.007841 TDE= -0.067530 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009429 tlogG= -0.005619 logG= -0.015048 logGD-logG0= -0.009466 tlogG= -0.006140 logG= -0.015606 Density= 0.138615 ETOT(band)= 0.001519 trlgG= -0.016940 logG= -0.015606 TDE= -0.134369 Density= 0.136947 ETOT(band)= 0.000421 trlgG= -0.017561 logG= -0.015048 TDE= -0.133947 logGD-logG0= -0.009558 tlogG= -0.006575 logG= -0.016133 Density= 0.143402 ETOT(band)= 0.006667 trlgG= -0.012362 logG= -0.016133 TDE= -0.133859 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009493 tlogG= -0.006020 logG= -0.015513 Density= 0.135905 ETOT(band)= -0.001417 trlgG= -0.019790 logG= -0.015513 TDE= -0.134712 logGD-logG0= -0.009473 tlogG= -0.005632 logG= -0.015104 Density= 0.133894 ETOT(band)= -0.002965 trlgG= -0.020871 logG= -0.015104 TDE= -0.134272 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009388 tlogG= -0.006858 logG= -0.016246 Density= 0.137497 ETOT(band)= 0.000253 trlgG= -0.018945 logG= -0.016246 TDE= -0.134662 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019359 tlogG= -0.012772 logG= -0.032131 Density= 0.284976 ETOT(band)= 0.008098 trlgG= -0.030274 logG= -0.032131 TDE= -0.271648 logGD-logG0= -0.009699 tlogG= -0.006520 logG= -0.016219 Density= 0.143047 ETOT(band)= 0.004323 trlgG= -0.015067 logG= -0.016219 TDE= -0.136138 logGD-logG0= -0.018873 tlogG= -0.011968 logG= -0.030842 Density= 0.277883 ETOT(band)= 0.003971 trlgG= -0.032828 logG= -0.030842 TDE= -0.268683 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018765 tlogG= -0.013716 logG= -0.032481 Density= 0.275156 ETOT(band)= 0.001125 trlgG= -0.037128 logG= -0.032481 TDE= -0.268728 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019124 tlogG= -0.012066 logG= -0.031190 Density= 0.281339 ETOT(band)= 0.006762 trlgG= -0.030405 logG= -0.031190 TDE= -0.269229 logGD-logG0= -0.018872 tlogG= -0.012267 logG= -0.031139 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278000 ETOT(band)= 0.004377 trlgG= -0.032555 logG= -0.031139 TDE= -0.268227 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018993 tlogG= -0.011462 logG= -0.030455 Density= 0.275425 ETOT(band)= 0.001235 trlgG= -0.034984 logG= -0.030455 TDE= -0.268868 logGD-logG0= -0.018892 tlogG= -0.012118 logG= -0.031010 Density= 0.278184 ETOT(band)= 0.003974 trlgG= -0.033034 logG= -0.031010 TDE= -0.269011 logGD-logG0= -0.018697 tlogG= -0.013757 logG= -0.032453 Density= 0.275792 ETOT(band)= 0.002923 trlgG= -0.034910 logG= -0.032453 TDE= -0.267147 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019020 tlogG= -0.010537 logG= -0.029557 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.274752 ETOT(band)= 0.002263 trlgG= -0.033044 logG= -0.029557 TDE= -0.267179 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019084 tlogG= -0.010462 logG= -0.029546 Density= 0.278256 ETOT(band)= 0.004772 trlgG= -0.030615 logG= -0.029546 TDE= -0.268125 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019065 tlogG= -0.010180 logG= -0.029245 Density= 0.263827 ETOT(band)= -0.008585 trlgG= -0.043301 logG= -0.029245 TDE= -0.267264 logGD-logG0= -0.000384 tlogG= 0.008629 logG= 0.008245 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.005717 ETOT(band)= 0.000062 trlgG= 0.008203 logG= 0.008245 TDE= -0.005528 logGD-logG0= -0.018971 tlogG= -0.010852 logG= -0.029823 logGD-logG0= -0.009498 tlogG= -0.005462 logG= -0.014960 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.271635 ETOT(band)= -0.001878 trlgG= -0.037502 logG= -0.029823 TDE= -0.268380 Density= 0.133170 ETOT(band)= -0.003645 trlgG= -0.021343 logG= -0.014960 TDE= -0.134192 logGD-logG0= -0.004833 tlogG= -0.003569 logG= -0.008402 Density= 0.074889 ETOT(band)= 0.005143 trlgG= -0.004906 logG= -0.008402 TDE= -0.068377 logGD-logG0= -0.009577 tlogG= -0.004874 logG= -0.014452 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.130721 ETOT(band)= -0.005468 trlgG= -0.022628 logG= -0.014452 TDE= -0.133636 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019402 tlogG= -0.012754 logG= -0.032156 logGD-logG0= -0.018797 tlogG= -0.011640 logG= -0.030437 Density= 0.276578 ETOT(band)= 0.003987 trlgG= -0.032220 logG= -0.030437 TDE= -0.267228 Density= 0.289533 ETOT(band)= 0.014796 trlgG= -0.023466 logG= -0.032156 TDE= -0.269188 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019104 tlogG= -0.010093 logG= -0.029197 Density= 0.267178 ETOT(band)= -0.006119 trlgG= -0.040848 logG= -0.029197 TDE= -0.268074 logGD-logG0= -0.018806 tlogG= -0.012355 logG= -0.031161 logGD-logG0= -0.019007 tlogG= -0.011684 logG= -0.030691 Density= 0.270311 ETOT(band)= -0.004371 trlgG= -0.040796 logG= -0.030691 TDE= -0.269536 Density= 0.278860 ETOT(band)= 0.006385 trlgG= -0.030370 logG= -0.031161 TDE= -0.266844 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009716 tlogG= -0.005975 logG= -0.015691 Density= 0.144019 ETOT(band)= 0.006434 trlgG= -0.012307 logG= -0.015691 TDE= -0.134837 logGD-logG0= -0.009567 tlogG= -0.005201 logG= -0.014768 Density= 0.140007 ETOT(band)= 0.002966 trlgG= -0.014777 logG= -0.014768 TDE= -0.134381 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019224 tlogG= -0.011915 logG= -0.031140 Density= 0.280143 ETOT(band)= 0.004306 trlgG= -0.032907 logG= -0.031140 TDE= -0.270635 logGD-logG0= -0.019160 tlogG= -0.011147 logG= -0.030308 Density= 0.278233 ETOT(band)= 0.003784 trlgG= -0.032426 logG= -0.030308 TDE= -0.269151 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019058 tlogG= -0.010611 logG= -0.029670 Density= 0.272531 ETOT(band)= -0.001595 trlgG= -0.036903 logG= -0.029670 TDE= -0.268794 logGD-logG0= -0.009514 tlogG= -0.005495 logG= -0.015009 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.135955 ETOT(band)= -0.001213 trlgG= -0.018930 logG= -0.015009 TDE= -0.134403 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009508 tlogG= -0.005141 logG= -0.014649 Density= 0.136521 ETOT(band)= -0.000361 trlgG= -0.017691 logG= -0.014649 TDE= -0.134068 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009526 tlogG= -0.005275 logG= -0.014801 Density= 0.136994 ETOT(band)= -0.000013 trlgG= -0.017587 logG= -0.014801 TDE= -0.134266 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004762 tlogG= -0.002656 logG= -0.007418 Density= 0.068650 ETOT(band)= 0.000086 trlgG= -0.008765 logG= -0.007418 TDE= -0.067234 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002318 tlogG= -0.002346 logG= -0.004663 Density= 0.034870 ETOT(band)= 0.000923 trlgG= -0.004377 logG= -0.004663 TDE= -0.033180 logGD-logG0= -0.002418 tlogG= -0.001867 logG= -0.004285 Density= 0.036975 ETOT(band)= 0.002621 trlgG= -0.002452 logG= -0.004285 TDE= -0.033654 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009265 tlogG= -0.008819 logG= -0.018084 Density= 0.139390 ETOT(band)= 0.003626 trlgG= -0.016881 logG= -0.018084 TDE= -0.132577 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009315 tlogG= -0.007755 logG= -0.017070 Density= 0.138551 ETOT(band)= 0.002836 trlgG= -0.016602 logG= -0.017070 TDE= -0.132506 logGD-logG0= -0.009360 tlogG= -0.007409 logG= -0.016769 Density= 0.137559 ETOT(band)= 0.001595 trlgG= -0.017693 logG= -0.016769 TDE= -0.132946 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009296 tlogG= -0.007981 logG= -0.017277 Density= 0.138812 ETOT(band)= 0.003209 trlgG= -0.016484 logG= -0.017277 TDE= -0.132432 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009329 tlogG= -0.008435 logG= -0.017764 Density= 0.140804 ETOT(band)= 0.004966 trlgG= -0.015358 logG= -0.017764 TDE= -0.132731 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004650 tlogG= -0.004023 logG= -0.008672 Density= 0.069920 ETOT(band)= 0.002114 trlgG= -0.007795 logG= -0.008672 TDE= -0.066228 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009611 tlogG= -0.007182 logG= -0.016793 Density= 0.144759 ETOT(band)= 0.008259 trlgG= -0.011333 logG= -0.016793 TDE= -0.133472 logGD-logG0= -0.009381 tlogG= -0.007330 logG= -0.016710 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.140931 ETOT(band)= 0.005160 trlgG= -0.014212 logG= -0.016710 TDE= -0.132760 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009369 tlogG= -0.006892 logG= -0.016261 logGD-logG0= -0.002365 tlogG= -0.001971 logG= -0.004336 Density= 0.139331 ETOT(band)= 0.003880 trlgG= -0.014961 logG= -0.016261 TDE= -0.132422 Density= 0.035777 ETOT(band)= 0.001736 trlgG= -0.003261 logG= -0.004336 TDE= -0.033262 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009417 tlogG= -0.006356 logG= -0.015774 Density= 0.137463 ETOT(band)= 0.001697 trlgG= -0.016887 logG= -0.015774 TDE= -0.133044 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018638 tlogG= -0.015767 logG= -0.034406 Density= 0.280310 ETOT(band)= 0.008949 trlgG= -0.030445 logG= -0.034406 TDE= -0.265067 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004740 tlogG= -0.002825 logG= -0.007565 Density= 0.068477 ETOT(band)= 0.000849 trlgG= -0.008102 logG= -0.007565 TDE= -0.066257 logGD-logG0= -0.009264 tlogG= -0.009048 logG= -0.018312 Density= 0.139581 ETOT(band)= 0.003813 trlgG= -0.016989 logG= -0.018312 TDE= -0.132640 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009725 tlogG= -0.006719 logG= -0.016444 logGD-logG0= -0.018976 tlogG= -0.013241 logG= -0.032218 Density= 0.284529 ETOT(band)= 0.012506 trlgG= -0.025398 logG= -0.032218 TDE= -0.266257 Density= 0.145731 ETOT(band)= 0.008813 trlgG= -0.010747 logG= -0.016444 TDE= -0.134168 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009424 tlogG= -0.007531 logG= -0.016956 Density= 0.142385 ETOT(band)= 0.006426 trlgG= -0.013191 logG= -0.016956 TDE= -0.132889 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009566 tlogG= -0.005014 logG= -0.014580 Density= 0.130519 ETOT(band)= -0.004958 trlgG= -0.022231 logG= -0.014580 TDE= -0.132917 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018747 tlogG= -0.013982 logG= -0.032729 Density= 0.277527 ETOT(band)= 0.006161 trlgG= -0.031636 logG= -0.032729 TDE= -0.265263 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009590 tlogG= -0.005696 logG= -0.015286 Density= 0.141483 ETOT(band)= 0.005410 trlgG= -0.012891 logG= -0.015286 TDE= -0.133393 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009531 tlogG= -0.005331 logG= -0.014862 Density= 0.133839 ETOT(band)= -0.001846 trlgG= -0.019485 logG= -0.014862 TDE= -0.133075 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018913 tlogG= -0.011702 logG= -0.030615 Density= 0.277105 ETOT(band)= 0.006009 trlgG= -0.030260 logG= -0.030615 TDE= -0.265596 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009404 tlogG= -0.006669 logG= -0.016073 Density= 0.140771 ETOT(band)= 0.005249 trlgG= -0.013596 logG= -0.016073 TDE= -0.132627 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003108 tlogG= 0.069846 logG= 0.066738 Density= 0.046269 ETOT(band)= 0.001038 trlgG= 0.066976 logG= 0.066738 TDE= -0.044168 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003078 tlogG= 0.069162 logG= 0.066084 Density= 0.045851 ETOT(band)= 0.000620 trlgG= 0.065863 logG= 0.066084 TDE= -0.044226 logGD-logG0= -0.003088 tlogG= 0.069448 logG= 0.066359 Density= 0.046198 ETOT(band)= 0.000937 trlgG= 0.066482 logG= 0.066359 TDE= -0.044215 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002309 tlogG= 0.051892 logG= 0.049583 Density= 0.034450 ETOT(band)= 0.000514 trlgG= 0.049473 logG= 0.049583 TDE= -0.033173 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004622 tlogG= 0.103997 logG= 0.099375 Density= 0.069139 ETOT(band)= 0.001257 trlgG= 0.099395 logG= 0.099375 TDE= -0.066337 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009260 tlogG= 0.208360 logG= 0.199100 Density= 0.138567 ETOT(band)= 0.002846 trlgG= 0.199420 logG= 0.199100 TDE= -0.132669 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009297 tlogG= 0.209061 logG= 0.199764 Density= 0.139064 ETOT(band)= 0.003368 trlgG= 0.200641 logG= 0.199764 TDE= -0.132589 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.51077318037707 eV TrLogG= -13.7876718646613 eV Ratio to renormalize= 0.999999999716 rho-rho_expected= 0.000000004549 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 23) Finished k-point number 24 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 34) Finished k-point number 35 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 42) Finished k-point number 43 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 49) Finished k-point number 50 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 72) Finished k-point number 73 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 74) Finished k-point number 75 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 45) Finished k-point number 46 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 78) Finished k-point number 79 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 96) Finished k-point number 97 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931327345286562 0.928032835416303 56) Finished k-point number 57 1 with #bands= 18 7) Finished k-point number 8 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 5) Finished k-point number 6 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 15) Finished k-point number 16 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 16) Finished k-point number 17 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 26) Finished k-point number 27 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 25) Finished k-point number 26 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 103) Finished k-point number 104 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 64) Finished k-point number 65 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 34) Finished k-point number 35 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 88) Finished k-point number 89 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 33) Finished k-point number 34 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0580412071947 Density= 16.0102341695936 16.0000000000000 EF 12.7859273750811 Density= 15.3696421664436 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95974841 0.93974841 0.102342E-01 -0.630358 1 0.95942889 0.93974841 0.145785E-02 -0.630358 2 0.95937594 0.95942889 -0.565709E-06 0.145785E-02 3 0.95937596 0.95937594 0.218595E-09 -0.565709E-06 4 0.95937596 0.95937596 -0.253660E-08 0.218595E-09 5 0.95937596 0.95937596 -0.253660E-08 0.218595E-09 Absolute convergence of the X interval. Difference in EF= -0.0050675169 EF set to : 13.0529736903 new EF (no-mixing): 13.0529736903 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001208 tlogG= -0.001233 logG= -0.002441 Density= 0.018986 ETOT(band)= 0.001243 trlgG= -0.001607 logG= -0.002441 TDE= -0.017380 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009640 tlogG= -0.009407 logG= -0.019046 Density= 0.151777 ETOT(band)= 0.010193 trlgG= -0.012124 logG= -0.019046 TDE= -0.138689 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002408 tlogG= -0.002373 logG= -0.004781 Density= 0.037918 ETOT(band)= 0.002578 trlgG= -0.003024 logG= -0.004781 TDE= -0.034621 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004816 tlogG= -0.004556 logG= -0.009372 Density= 0.075861 ETOT(band)= 0.005175 trlgG= -0.005833 logG= -0.009372 TDE= -0.069241 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002413 tlogG= -0.002049 logG= -0.004462 Density= 0.037434 ETOT(band)= 0.002577 trlgG= -0.002750 logG= -0.004462 TDE= -0.034201 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009671 tlogG= -0.008548 logG= -0.018219 Density= 0.150794 ETOT(band)= 0.010606 trlgG= -0.011015 logG= -0.018219 TDE= -0.137464 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009692 tlogG= -0.006574 logG= -0.016266 Density= 0.143686 ETOT(band)= 0.004812 trlgG= -0.014658 logG= -0.016266 TDE= -0.136241 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009667 tlogG= -0.007942 logG= -0.017609 Density= 0.150563 ETOT(band)= 0.010494 trlgG= -0.010497 logG= -0.017609 TDE= -0.137335 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004836 tlogG= -0.004135 logG= -0.008971 Density= 0.075502 ETOT(band)= 0.005191 trlgG= -0.005480 logG= -0.008971 TDE= -0.068945 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001576 tlogG= -0.001301 logG= -0.002878 Density= 0.022795 ETOT(band)= -0.000149 trlgG= -0.003476 logG= -0.002878 TDE= -0.022468 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.019332 tlogG= -0.015662 logG= -0.034994 Density= 0.301296 ETOT(band)= 0.020930 trlgG= -0.020836 logG= -0.034994 TDE= -0.274898 logGD-logG0= -0.009643 tlogG= -0.007684 logG= -0.017327 Density= 0.149876 ETOT(band)= 0.010857 trlgG= -0.009815 logG= -0.017327 TDE= -0.136276 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009681 tlogG= -0.008681 logG= -0.018362 Density= 0.151272 ETOT(band)= 0.010629 trlgG= -0.011095 logG= -0.018362 TDE= -0.137860 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019313 tlogG= -0.014544 logG= -0.033857 Density= 0.299085 ETOT(band)= 0.020790 trlgG= -0.019630 logG= -0.033857 TDE= -0.272707 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009683 tlogG= -0.006524 logG= -0.016207 Density= 0.147110 ETOT(band)= 0.008281 trlgG= -0.011194 logG= -0.016207 TDE= -0.136121 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003145 tlogG= -0.002498 logG= -0.005643 Density= 0.045416 ETOT(band)= -0.000298 trlgG= -0.006880 logG= -0.005643 TDE= -0.044808 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003099 tlogG= -0.002573 logG= -0.005673 Density= 0.045921 ETOT(band)= 0.000617 trlgG= -0.005842 logG= -0.005673 TDE= -0.044225 logGD-logG0= -0.003127 tlogG= -0.002523 logG= -0.005651 Density= 0.045650 ETOT(band)= 0.000111 trlgG= -0.006405 logG= -0.005651 TDE= -0.044549 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009440 tlogG= -0.007278 logG= -0.016717 Density= 0.136726 ETOT(band)= -0.000521 trlgG= -0.020102 logG= -0.016717 TDE= -0.134556 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009447 tlogG= -0.007365 logG= -0.016812 Density= 0.136858 ETOT(band)= -0.000575 trlgG= -0.020235 logG= -0.016812 TDE= -0.134720 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009424 tlogG= -0.007206 logG= -0.016631 Density= 0.136773 ETOT(band)= -0.000128 trlgG= -0.019591 logG= -0.016631 TDE= -0.134178 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009454 tlogG= -0.006567 logG= -0.016021 Density= 0.137972 ETOT(band)= 0.000801 trlgG= -0.018180 logG= -0.016021 TDE= -0.134526 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009368 tlogG= -0.007273 logG= -0.016641 Density= 0.137444 ETOT(band)= 0.001176 trlgG= -0.018050 logG= -0.016641 TDE= -0.133270 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009749 tlogG= -0.007034 logG= -0.016783 Density= 0.147470 ETOT(band)= 0.009002 trlgG= -0.011078 logG= -0.016783 TDE= -0.135774 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009404 tlogG= -0.007239 logG= -0.016643 logGD-logG0= -0.009464 tlogG= -0.006536 logG= -0.015999 Density= 0.137004 ETOT(band)= 0.000279 trlgG= -0.019112 logG= -0.016643 TDE= -0.133906 Density= 0.137920 ETOT(band)= 0.000831 trlgG= -0.018164 logG= -0.015999 TDE= -0.134482 logGD-logG0= -0.009686 tlogG= -0.007447 logG= -0.017133 Density= 0.148842 ETOT(band)= 0.010646 trlgG= -0.009807 logG= -0.017133 TDE= -0.135470 logGD-logG0= -0.009713 tlogG= -0.006425 logG= -0.016138 Density= 0.142497 ETOT(band)= 0.004319 trlgG= -0.014908 logG= -0.016138 TDE= -0.135479 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009547 tlogG= -0.006272 logG= -0.015818 Density= 0.140316 ETOT(band)= 0.003402 trlgG= -0.015250 logG= -0.015818 TDE= -0.134048 logGD-logG0= -0.009509 tlogG= -0.005852 logG= -0.015361 Density= 0.138122 ETOT(band)= 0.001068 trlgG= -0.017247 logG= -0.015361 TDE= -0.134398 logGD-logG0= -0.009428 tlogG= -0.006437 logG= -0.015865 Density= 0.137737 ETOT(band)= 0.001062 trlgG= -0.017708 logG= -0.015865 TDE= -0.133984 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009451 tlogG= -0.006752 logG= -0.016202 Density= 0.138551 ETOT(band)= 0.001754 trlgG= -0.017191 logG= -0.016202 TDE= -0.133911 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009538 tlogG= -0.005539 logG= -0.015078 logGD-logG0= -0.004789 tlogG= -0.002529 logG= -0.007317 Density= 0.065345 ETOT(band)= -0.002716 trlgG= -0.011319 logG= -0.007317 TDE= -0.066692 Density= 0.133715 ETOT(band)= -0.003139 trlgG= -0.021033 logG= -0.015078 TDE= -0.134239 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004774 tlogG= -0.003053 logG= -0.007827 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009397 tlogG= -0.006730 logG= -0.016127 Density= 0.139108 ETOT(band)= 0.003032 trlgG= -0.015716 logG= -0.016127 TDE= -0.133046 Density= 0.067609 ETOT(band)= -0.001215 trlgG= -0.010477 logG= -0.007827 TDE= -0.067513 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009492 tlogG= -0.005531 logG= -0.015023 Density= 0.136839 ETOT(band)= 0.000321 trlgG= -0.017651 logG= -0.015023 TDE= -0.133908 logGD-logG0= -0.009613 tlogG= -0.006490 logG= -0.016103 Density= 0.143517 ETOT(band)= 0.006791 trlgG= -0.012236 logG= -0.016103 TDE= -0.133820 logGD-logG0= -0.009555 tlogG= -0.005928 logG= -0.015483 Density= 0.135889 ETOT(band)= -0.001425 trlgG= -0.019793 logG= -0.015483 TDE= -0.134679 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009448 tlogG= -0.006765 logG= -0.016213 Density= 0.137591 ETOT(band)= 0.000355 trlgG= -0.018834 logG= -0.016213 TDE= -0.134623 logGD-logG0= -0.009525 tlogG= -0.006050 logG= -0.015575 Density= 0.138710 ETOT(band)= 0.001623 trlgG= -0.016830 logG= -0.015575 TDE= -0.134330 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018989 tlogG= -0.011791 logG= -0.030779 Density= 0.277993 ETOT(band)= 0.004096 trlgG= -0.032685 logG= -0.030779 TDE= -0.268605 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009763 tlogG= -0.006427 logG= -0.016191 Density= 0.143003 ETOT(band)= 0.004285 trlgG= -0.015096 logG= -0.016191 TDE= -0.136099 logGD-logG0= -0.019480 tlogG= -0.012594 logG= -0.032074 Density= 0.285065 ETOT(band)= 0.008201 trlgG= -0.030160 logG= -0.032074 TDE= -0.271570 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019008 tlogG= -0.011939 logG= -0.030947 Density= 0.278350 ETOT(band)= 0.004157 trlgG= -0.032837 logG= -0.030947 TDE= -0.268933 logGD-logG0= -0.019238 tlogG= -0.011891 logG= -0.031129 Density= 0.281462 ETOT(band)= 0.006901 trlgG= -0.030253 logG= -0.031129 TDE= -0.269151 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018920 tlogG= -0.012178 logG= -0.031098 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278991 ETOT(band)= 0.006532 trlgG= -0.030194 logG= -0.031098 TDE= -0.266753 logGD-logG0= -0.019098 tlogG= -0.010671 logG= -0.029769 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.271323 ETOT(band)= -0.002172 trlgG= -0.037770 logG= -0.029769 TDE= -0.268302 logGD-logG0= -0.018989 tlogG= -0.012089 logG= -0.031078 Density= 0.278166 ETOT(band)= 0.004560 trlgG= -0.032361 logG= -0.031078 TDE= -0.268148 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004867 tlogG= -0.003519 logG= -0.008385 Density= 0.074738 ETOT(band)= 0.004995 trlgG= -0.005042 logG= -0.008385 TDE= -0.068358 logGD-logG0= -0.009567 tlogG= -0.005364 logG= -0.014931 logGD-logG0= -0.018886 tlogG= -0.013530 logG= -0.032416 Density= 0.132974 ETOT(band)= -0.003833 trlgG= -0.021519 logG= -0.014931 TDE= -0.134159 Density= 0.275349 ETOT(band)= 0.001335 trlgG= -0.036902 logG= -0.032416 TDE= -0.268650 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019111 tlogG= -0.011278 logG= -0.030388 logGD-logG0= -0.019199 tlogG= -0.009999 logG= -0.029198 Density= 0.263887 ETOT(band)= -0.008506 trlgG= -0.043217 logG= -0.029198 TDE= -0.267186 Density= 0.275458 ETOT(band)= 0.001285 trlgG= -0.034910 logG= -0.030388 TDE= -0.268790 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018816 tlogG= -0.013573 logG= -0.032389 Density= 0.276010 ETOT(band)= 0.003155 trlgG= -0.034661 logG= -0.032389 TDE= -0.267069 logGD-logG0= -0.019529 tlogG= -0.012572 logG= -0.032101 Density= 0.289500 ETOT(band)= 0.014779 trlgG= -0.023471 logG= -0.032101 TDE= -0.269110 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000387 tlogG= 0.008630 logG= 0.008243 Density= 0.005722 ETOT(band)= 0.000068 trlgG= 0.008206 logG= 0.008243 TDE= -0.005527 logGD-logG0= -0.009629 tlogG= -0.004798 logG= -0.014427 Density= 0.130897 ETOT(band)= -0.005284 trlgG= -0.022438 logG= -0.014427 TDE= -0.133591 logGD-logG0= -0.018917 tlogG= -0.011460 logG= -0.030377 Density= 0.276538 ETOT(band)= 0.003962 trlgG= -0.032222 logG= -0.030377 TDE= -0.267150 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019136 tlogG= -0.011505 logG= -0.030641 Density= 0.270155 ETOT(band)= -0.004511 trlgG= -0.040931 logG= -0.030641 TDE= -0.269470 logGD-logG0= -0.019203 tlogG= -0.010286 logG= -0.029490 Density= 0.277942 ETOT(band)= 0.004484 trlgG= -0.030886 logG= -0.029490 TDE= -0.268047 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019344 tlogG= -0.011739 logG= -0.031083 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.280269 ETOT(band)= 0.004447 trlgG= -0.032757 logG= -0.031083 TDE= -0.270557 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019235 tlogG= -0.009908 logG= -0.029143 Density= 0.266877 ETOT(band)= -0.006394 trlgG= -0.041104 logG= -0.029143 TDE= -0.267996 logGD-logG0= -0.019143 tlogG= -0.010365 logG= -0.029509 Density= 0.274346 ETOT(band)= 0.001879 trlgG= -0.033396 logG= -0.029509 TDE= -0.267088 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009784 tlogG= -0.005880 logG= -0.015664 Density= 0.143856 ETOT(band)= 0.006278 trlgG= -0.012450 logG= -0.015664 TDE= -0.134798 logGD-logG0= -0.019282 tlogG= -0.010969 logG= -0.030251 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278024 ETOT(band)= 0.003589 trlgG= -0.032595 logG= -0.030251 TDE= -0.269073 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009627 tlogG= -0.005113 logG= -0.014740 Density= 0.139896 ETOT(band)= 0.002870 trlgG= -0.014869 logG= -0.014740 TDE= -0.134342 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019183 tlogG= -0.010430 logG= -0.029613 Density= 0.272232 ETOT(band)= -0.001872 trlgG= -0.037156 logG= -0.029613 TDE= -0.268716 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009587 tlogG= -0.005185 logG= -0.014772 logGD-logG0= -0.009577 tlogG= -0.005404 logG= -0.014981 Density= 0.135892 ETOT(band)= -0.001266 trlgG= -0.018980 logG= -0.014981 TDE= -0.134370 Density= 0.136888 ETOT(band)= -0.000109 trlgG= -0.017671 logG= -0.014772 TDE= -0.134227 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004792 tlogG= -0.002611 logG= -0.007403 Density= 0.068653 ETOT(band)= 0.000094 trlgG= -0.008753 logG= -0.007403 TDE= -0.067214 logGD-logG0= -0.009567 tlogG= -0.005048 logG= -0.014615 Density= 0.136464 ETOT(band)= -0.000408 trlgG= -0.017724 logG= -0.014615 TDE= -0.134029 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002436 tlogG= -0.001842 logG= -0.004278 Density= 0.036940 ETOT(band)= 0.002588 trlgG= -0.002482 logG= -0.004278 TDE= -0.033644 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002333 tlogG= -0.002323 logG= -0.004656 Density= 0.034906 ETOT(band)= 0.000961 trlgG= -0.004338 logG= -0.004656 TDE= -0.033170 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009374 tlogG= -0.007665 logG= -0.017039 Density= 0.138692 ETOT(band)= 0.002984 trlgG= -0.016448 logG= -0.017039 TDE= -0.132467 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002379 tlogG= -0.001949 logG= -0.004328 Density= 0.035817 ETOT(band)= 0.001777 trlgG= -0.003218 logG= -0.004328 TDE= -0.033252 logGD-logG0= -0.009421 tlogG= -0.007318 logG= -0.016739 Density= 0.137685 ETOT(band)= 0.001730 trlgG= -0.017553 logG= -0.016739 TDE= -0.132907 logGD-logG0= -0.009665 tlogG= -0.007100 logG= -0.016764 Density= 0.144906 ETOT(band)= 0.008415 trlgG= -0.011178 logG= -0.016764 TDE= -0.133433 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009386 tlogG= -0.008348 logG= -0.017735 Density= 0.140951 ETOT(band)= 0.005121 trlgG= -0.015200 logG= -0.017735 TDE= -0.132691 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009437 tlogG= -0.007243 logG= -0.016680 logGD-logG0= -0.009355 tlogG= -0.007892 logG= -0.017247 Density= 0.138954 ETOT(band)= 0.003358 trlgG= -0.016331 logG= -0.017247 TDE= -0.132393 Density= 0.141071 ETOT(band)= 0.005308 trlgG= -0.014054 logG= -0.016680 TDE= -0.132715 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009426 tlogG= -0.006800 logG= -0.016226 Density= 0.139445 ETOT(band)= 0.004002 trlgG= -0.014823 logG= -0.016226 TDE= -0.132377 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009477 tlogG= -0.006267 logG= -0.015744 Density= 0.137491 ETOT(band)= 0.001732 trlgG= -0.016844 logG= -0.015744 TDE= -0.133004 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009594 tlogG= -0.005238 logG= -0.014831 Density= 0.133719 ETOT(band)= -0.001961 trlgG= -0.019580 logG= -0.014831 TDE= -0.133036 logGD-logG0= -0.004679 tlogG= -0.003978 logG= -0.008657 Density= 0.069991 ETOT(band)= 0.002189 trlgG= -0.007718 logG= -0.008657 TDE= -0.066209 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009324 tlogG= -0.008730 logG= -0.018054 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.139537 ETOT(band)= 0.003780 trlgG= -0.016723 logG= -0.018054 TDE= -0.132538 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004771 tlogG= -0.002781 logG= -0.007552 Density= 0.068356 ETOT(band)= 0.000731 trlgG= -0.008207 logG= -0.007552 TDE= -0.066234 logGD-logG0= -0.018754 tlogG= -0.015592 logG= -0.034346 Density= 0.280596 ETOT(band)= 0.009251 trlgG= -0.030132 logG= -0.034346 TDE= -0.264983 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019087 tlogG= -0.013069 logG= -0.032156 Density= 0.284782 ETOT(band)= 0.012774 trlgG= -0.025109 logG= -0.032156 TDE= -0.266166 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009323 tlogG= -0.008960 logG= -0.018283 Density= 0.139727 ETOT(band)= 0.003966 trlgG= -0.016833 logG= -0.018283 TDE= -0.132601 logGD-logG0= -0.009793 tlogG= -0.006621 logG= -0.016414 Density= 0.145740 ETOT(band)= 0.008831 trlgG= -0.010723 logG= -0.016414 TDE= -0.134129 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009648 tlogG= -0.005610 logG= -0.015258 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.141363 ETOT(band)= 0.005298 trlgG= -0.012985 logG= -0.015258 TDE= -0.133348 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009617 tlogG= -0.004935 logG= -0.014552 Density= 0.130708 ETOT(band)= -0.004760 trlgG= -0.022025 logG= -0.014552 TDE= -0.132871 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009480 tlogG= -0.007446 logG= -0.016926 Density= 0.142536 ETOT(band)= 0.006585 trlgG= -0.013024 logG= -0.016926 TDE= -0.132844 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019030 tlogG= -0.011524 logG= -0.030554 Density= 0.276942 ETOT(band)= 0.005858 trlgG= -0.030367 logG= -0.030554 TDE= -0.265505 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018863 tlogG= -0.013802 logG= -0.032665 Density= 0.277766 ETOT(band)= 0.006416 trlgG= -0.031355 logG= -0.032665 TDE= -0.265172 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009460 tlogG= -0.006582 logG= -0.016042 Density= 0.140881 ETOT(band)= 0.005367 trlgG= -0.013465 logG= -0.016042 TDE= -0.132581 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003109 tlogG= 0.069449 logG= 0.066340 Density= 0.046247 ETOT(band)= 0.000989 trlgG= 0.066506 logG= 0.066340 TDE= -0.044202 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003099 tlogG= 0.069165 logG= 0.066066 Density= 0.045896 ETOT(band)= 0.000668 trlgG= 0.065885 logG= 0.066066 TDE= -0.044213 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003127 tlogG= 0.069847 logG= 0.066720 Density= 0.046318 ETOT(band)= 0.001089 trlgG= 0.067001 logG= 0.066720 TDE= -0.044155 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002324 tlogG= 0.051893 logG= 0.049569 Density= 0.034485 ETOT(band)= 0.000551 trlgG= 0.049490 logG= 0.049569 TDE= -0.033163 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009356 tlogG= 0.209065 logG= 0.199709 Density= 0.139210 ETOT(band)= 0.003521 trlgG= 0.200713 logG= 0.199709 TDE= -0.132550 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009320 tlogG= 0.208365 logG= 0.199045 Density= 0.138709 ETOT(band)= 0.002997 trlgG= 0.199489 logG= 0.199045 TDE= -0.132630 logGD-logG0= -0.004653 tlogG= 0.104000 logG= 0.099347 Density= 0.069212 ETOT(band)= 0.001333 trlgG= 0.099430 logG= 0.099347 TDE= -0.066317 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.52290612493042 eV TrLogG= -13.7646089452331 eV Ratio to renormalize= 0.999999999873 rho-rho_expected= 0.000000002027 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 49) Finished k-point number 50 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 62) Finished k-point number 63 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 71) Finished k-point number 72 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 73) Finished k-point number 74 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 98) Finished k-point number 99 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931371458496381 0.927989195524854 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 1) Finished k-point number 2 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 19) Finished k-point number 20 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 44) Finished k-point number 45 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0529736902939 Density= 15.9985411192283 16.0000000000000 EF 13.3250875224075 Density= 16.5006162409510 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97937596 0.95937596 0.500616 -0.145888E-02 1 0.96937596 0.95937598 0.259160 -0.145888E-02 2 0.96437597 0.95937620 0.132043 -0.145888E-02 3 0.96187609 0.95937633 0.663115E-01 -0.145888E-02 4 0.96062621 0.95937603 0.327171E-01 -0.145888E-02 5 0.96000112 0.95937594 0.157054E-01 -0.145888E-02 6 0.95968853 0.95937598 0.714231E-02 -0.145888E-02 7 0.95953226 0.95937620 0.284697E-02 -0.145888E-02 8 0.95945423 0.95937633 0.698625E-03 -0.145888E-02 9 0.95942897 0.95937633 0.260089E-05 -0.145888E-02 10 0.95942887 0.95937633 0.593553E-08 -0.145888E-02 11 0.95942887 0.95937633 0.710543E-13 -0.145888E-02 Absolute convergence of |F(X)|. Difference in EF= 0.0007199653 EF set to : 13.0536936556 new EF (no-mixing): 13.0536936556 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001208 tlogG= -0.001233 logG= -0.002441 Density= 0.018985 ETOT(band)= 0.001243 trlgG= -0.001607 logG= -0.002441 TDE= -0.017380 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009640 tlogG= -0.009407 logG= -0.019047 Density= 0.151774 ETOT(band)= 0.010196 trlgG= -0.012122 logG= -0.019047 TDE= -0.138691 logGD-logG0= -0.002408 tlogG= -0.002373 logG= -0.004781 Density= 0.037917 ETOT(band)= 0.002578 trlgG= -0.003024 logG= -0.004781 TDE= -0.034622 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004816 tlogG= -0.004556 logG= -0.009372 Density= 0.075859 ETOT(band)= 0.005176 trlgG= -0.005833 logG= -0.009372 TDE= -0.069242 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002413 tlogG= -0.002049 logG= -0.004463 Density= 0.037433 ETOT(band)= 0.002577 trlgG= -0.002750 logG= -0.004463 TDE= -0.034201 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001576 tlogG= -0.001301 logG= -0.002877 Density= 0.022795 ETOT(band)= -0.000148 trlgG= -0.003475 logG= -0.002877 TDE= -0.022468 logGD-logG0= -0.009667 tlogG= -0.007942 logG= -0.017609 Density= 0.150558 ETOT(band)= 0.010497 trlgG= -0.010496 logG= -0.017609 TDE= -0.137337 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009671 tlogG= -0.008548 logG= -0.018219 Density= 0.150788 ETOT(band)= 0.010607 trlgG= -0.011015 logG= -0.018219 TDE= -0.137466 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004836 tlogG= -0.004134 logG= -0.008970 Density= 0.075499 ETOT(band)= 0.005191 trlgG= -0.005480 logG= -0.008970 TDE= -0.068946 logGD-logG0= -0.009692 tlogG= -0.006576 logG= -0.016268 Density= 0.143689 ETOT(band)= 0.004821 trlgG= -0.014652 logG= -0.016268 TDE= -0.136243 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009681 tlogG= -0.008681 logG= -0.018362 Density= 0.151268 ETOT(band)= 0.010631 trlgG= -0.011094 logG= -0.018362 TDE= -0.137862 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009643 tlogG= -0.007684 logG= -0.017327 Density= 0.149871 ETOT(band)= 0.010859 trlgG= -0.009814 logG= -0.017327 TDE= -0.136278 logGD-logG0= -0.019333 tlogG= -0.015662 logG= -0.034994 Density= 0.301289 ETOT(band)= 0.020936 trlgG= -0.020831 logG= -0.034994 TDE= -0.274903 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019313 tlogG= -0.014545 logG= -0.033858 Density= 0.299079 ETOT(band)= 0.020798 trlgG= -0.019624 logG= -0.033858 TDE= -0.272711 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009684 tlogG= -0.006524 logG= -0.016207 Density= 0.147108 ETOT(band)= 0.008286 trlgG= -0.011191 logG= -0.016207 TDE= -0.136123 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003145 tlogG= -0.002497 logG= -0.005642 Density= 0.045415 ETOT(band)= -0.000297 trlgG= -0.006878 logG= -0.005642 TDE= -0.044808 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009448 tlogG= -0.007364 logG= -0.016812 Density= 0.136856 ETOT(band)= -0.000569 trlgG= -0.020231 logG= -0.016812 TDE= -0.134722 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003099 tlogG= -0.002572 logG= -0.005671 Density= 0.045920 ETOT(band)= 0.000619 trlgG= -0.005839 logG= -0.005671 TDE= -0.044225 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003128 tlogG= -0.002523 logG= -0.005650 Density= 0.045649 ETOT(band)= 0.000113 trlgG= -0.006403 logG= -0.005650 TDE= -0.044550 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009440 tlogG= -0.007276 logG= -0.016716 Density= 0.136724 ETOT(band)= -0.000515 trlgG= -0.020096 logG= -0.016716 TDE= -0.134558 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009424 tlogG= -0.007207 logG= -0.016631 Density= 0.136771 ETOT(band)= -0.000123 trlgG= -0.019588 logG= -0.016631 TDE= -0.134179 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009713 tlogG= -0.006425 logG= -0.016138 Density= 0.142502 ETOT(band)= 0.004329 trlgG= -0.014898 logG= -0.016138 TDE= -0.135480 logGD-logG0= -0.009368 tlogG= -0.007272 logG= -0.016640 Density= 0.137443 ETOT(band)= 0.001182 trlgG= -0.018045 logG= -0.016640 TDE= -0.133271 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009456 tlogG= -0.006569 logG= -0.016025 Density= 0.137972 ETOT(band)= 0.000809 trlgG= -0.018178 logG= -0.016025 TDE= -0.134528 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009749 tlogG= -0.007034 logG= -0.016783 Density= 0.147462 ETOT(band)= 0.009000 trlgG= -0.011080 logG= -0.016783 TDE= -0.135776 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004774 tlogG= -0.003052 logG= -0.007826 Density= 0.067608 ETOT(band)= -0.001213 trlgG= -0.010474 logG= -0.007826 TDE= -0.067514 logGD-logG0= -0.009509 tlogG= -0.005850 logG= -0.015359 Density= 0.138123 ETOT(band)= 0.001074 trlgG= -0.017240 logG= -0.015359 TDE= -0.134399 logGD-logG0= -0.009547 tlogG= -0.006272 logG= -0.015818 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.140319 ETOT(band)= 0.003411 trlgG= -0.015241 logG= -0.015818 TDE= -0.134049 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009613 tlogG= -0.006489 logG= -0.016102 Density= 0.143519 ETOT(band)= 0.006799 trlgG= -0.012227 logG= -0.016102 TDE= -0.133822 logGD-logG0= -0.009451 tlogG= -0.006754 logG= -0.016205 Density= 0.138549 ETOT(band)= 0.001759 trlgG= -0.017189 logG= -0.016205 TDE= -0.133912 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009403 tlogG= -0.007236 logG= -0.016639 Density= 0.137002 ETOT(band)= 0.000284 trlgG= -0.019103 logG= -0.016639 TDE= -0.133908 logGD-logG0= -0.009555 tlogG= -0.005930 logG= -0.015485 logGD-logG0= -0.004788 tlogG= -0.002530 logG= -0.007318 Density= 0.135889 ETOT(band)= -0.001419 trlgG= -0.019789 logG= -0.015485 TDE= -0.134680 Density= 0.065353 ETOT(band)= -0.002705 trlgG= -0.011310 logG= -0.007318 TDE= -0.066693 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009491 tlogG= -0.005530 logG= -0.015021 Density= 0.136838 ETOT(band)= 0.000326 trlgG= -0.017645 logG= -0.015021 TDE= -0.133910 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009463 tlogG= -0.006537 logG= -0.016000 Density= 0.137918 ETOT(band)= 0.000835 trlgG= -0.018162 logG= -0.016000 TDE= -0.134483 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009539 tlogG= -0.005538 logG= -0.015077 Density= 0.133708 ETOT(band)= -0.003139 trlgG= -0.021033 logG= -0.015077 TDE= -0.134240 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009448 tlogG= -0.006762 logG= -0.016211 Density= 0.137590 ETOT(band)= 0.000361 trlgG= -0.018827 logG= -0.016211 TDE= -0.134624 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019007 tlogG= -0.011936 logG= -0.030943 Density= 0.278350 ETOT(band)= 0.004168 trlgG= -0.032822 logG= -0.030943 TDE= -0.268936 logGD-logG0= -0.019479 tlogG= -0.012589 logG= -0.032068 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.285076 ETOT(band)= 0.008223 trlgG= -0.030132 logG= -0.032068 TDE= -0.271574 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009763 tlogG= -0.006427 logG= -0.016190 Density= 0.143007 ETOT(band)= 0.004295 trlgG= -0.015085 logG= -0.016190 TDE= -0.136101 logGD-logG0= -0.019098 tlogG= -0.010672 logG= -0.029770 Density= 0.271332 ETOT(band)= -0.002150 trlgG= -0.037752 logG= -0.029770 TDE= -0.268305 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000387 tlogG= 0.008630 logG= 0.008243 Density= 0.005722 ETOT(band)= 0.000068 trlgG= 0.008207 logG= 0.008243 TDE= -0.005527 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019113 tlogG= -0.011280 logG= -0.030393 Density= 0.275456 ETOT(band)= 0.001298 trlgG= -0.034905 logG= -0.030393 TDE= -0.268793 logGD-logG0= -0.019239 tlogG= -0.011889 logG= -0.031128 Density= 0.281472 ETOT(band)= 0.006922 trlgG= -0.030231 logG= -0.031128 TDE= -0.269155 logGD-logG0= -0.019529 tlogG= -0.012571 logG= -0.032101 Density= 0.289497 ETOT(band)= 0.014789 trlgG= -0.023462 logG= -0.032101 TDE= -0.269114 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018886 tlogG= -0.013531 logG= -0.032417 logGD-logG0= -0.004867 tlogG= -0.003519 logG= -0.008386 Density= 0.275347 ETOT(band)= 0.001346 trlgG= -0.036893 logG= -0.032417 TDE= -0.268653 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.074736 ETOT(band)= 0.004997 trlgG= -0.005041 logG= -0.008386 TDE= -0.068359 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018921 tlogG= -0.012178 logG= -0.031099 Density= 0.278992 ETOT(band)= 0.006547 trlgG= -0.030183 logG= -0.031099 TDE= -0.266756 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018917 tlogG= -0.011467 logG= -0.030384 Density= 0.276539 ETOT(band)= 0.003975 trlgG= -0.032217 logG= -0.030384 TDE= -0.267153 logGD-logG0= -0.019144 tlogG= -0.010363 logG= -0.029507 Density= 0.274339 ETOT(band)= 0.001884 trlgG= -0.033390 logG= -0.029507 TDE= -0.267092 logGD-logG0= -0.018818 tlogG= -0.013582 logG= -0.032400 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018989 tlogG= -0.012096 logG= -0.031084 Density= 0.278168 ETOT(band)= 0.004574 trlgG= -0.032354 logG= -0.031084 TDE= -0.268152 Density= 0.276003 ETOT(band)= 0.003164 trlgG= -0.034666 logG= -0.032400 TDE= -0.267072 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019203 tlogG= -0.010289 logG= -0.029492 Density= 0.277957 ETOT(band)= 0.004512 trlgG= -0.030862 logG= -0.029492 TDE= -0.268050 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009629 tlogG= -0.004798 logG= -0.014427 Density= 0.130905 ETOT(band)= -0.005270 trlgG= -0.022426 logG= -0.014427 TDE= -0.133593 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009566 tlogG= -0.005366 logG= -0.014932 Density= 0.132979 ETOT(band)= -0.003822 trlgG= -0.021509 logG= -0.014932 TDE= -0.134161 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009784 tlogG= -0.005880 logG= -0.015664 logGD-logG0= -0.009427 tlogG= -0.006437 logG= -0.015864 Density= 0.137735 ETOT(band)= 0.001066 trlgG= -0.017703 logG= -0.015864 TDE= -0.133986 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.143859 ETOT(band)= 0.006287 trlgG= -0.012442 logG= -0.015664 TDE= -0.134800 logGD-logG0= -0.019235 tlogG= -0.009906 logG= -0.029141 logGD-logG0= -0.009626 tlogG= -0.005114 logG= -0.014740 Density= 0.139905 ETOT(band)= 0.002884 trlgG= -0.014855 logG= -0.014740 TDE= -0.134344 logGD-logG0= -0.019344 tlogG= -0.011736 logG= -0.031080 Density= 0.266876 ETOT(band)= -0.006382 trlgG= -0.041091 logG= -0.029141 TDE= -0.267999 Density= 0.280270 ETOT(band)= 0.004460 trlgG= -0.032741 logG= -0.031080 TDE= -0.270561 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019183 tlogG= -0.010428 logG= -0.029611 Density= 0.272234 ETOT(band)= -0.001858 trlgG= -0.037141 logG= -0.029611 TDE= -0.268720 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009397 tlogG= -0.006729 logG= -0.016126 Density= 0.139108 ETOT(band)= 0.003039 trlgG= -0.015709 logG= -0.016126 TDE= -0.133047 logGD-logG0= -0.019282 tlogG= -0.010971 logG= -0.030253 Density= 0.278039 ETOT(band)= 0.003616 trlgG= -0.032571 logG= -0.030253 TDE= -0.269077 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009576 tlogG= -0.005401 logG= -0.014977 Density= 0.135892 ETOT(band)= -0.001260 trlgG= -0.018970 logG= -0.014977 TDE= -0.134371 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009587 tlogG= -0.005185 logG= -0.014771 Density= 0.136890 ETOT(band)= -0.000100 trlgG= -0.017663 logG= -0.014771 TDE= -0.134228 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004792 tlogG= -0.002611 logG= -0.007403 Density= 0.068653 ETOT(band)= 0.000097 trlgG= -0.008750 logG= -0.007403 TDE= -0.067215 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009567 tlogG= -0.005047 logG= -0.014614 logGD-logG0= -0.018991 tlogG= -0.011788 logG= -0.030778 Density= 0.136465 ETOT(band)= -0.000401 trlgG= -0.017717 logG= -0.014614 TDE= -0.134031 Density= 0.277992 ETOT(band)= 0.004109 trlgG= -0.032673 logG= -0.030778 TDE= -0.268609 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009686 tlogG= -0.007447 logG= -0.017133 Density= 0.148841 ETOT(band)= 0.010651 trlgG= -0.009803 logG= -0.017133 TDE= -0.135472 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019199 tlogG= -0.010000 logG= -0.029198 Density= 0.263877 ETOT(band)= -0.008503 trlgG= -0.043216 logG= -0.029198 TDE= -0.267189 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009324 tlogG= -0.008729 logG= -0.018053 Density= 0.139537 ETOT(band)= 0.003787 trlgG= -0.016717 logG= -0.018053 TDE= -0.132539 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002379 tlogG= -0.001949 logG= -0.004328 Density= 0.035817 ETOT(band)= 0.001779 trlgG= -0.003216 logG= -0.004328 TDE= -0.033252 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009421 tlogG= -0.007317 logG= -0.016738 Density= 0.137684 ETOT(band)= 0.001736 trlgG= -0.017548 logG= -0.016738 TDE= -0.132908 logGD-logG0= -0.009374 tlogG= -0.007662 logG= -0.017036 Density= 0.138692 ETOT(band)= 0.002991 trlgG= -0.016440 logG= -0.017036 TDE= -0.132468 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004679 tlogG= -0.003978 logG= -0.008657 Density= 0.069991 ETOT(band)= 0.002193 trlgG= -0.007715 logG= -0.008657 TDE= -0.066209 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009356 tlogG= -0.007894 logG= -0.017250 Density= 0.138952 ETOT(band)= 0.003365 trlgG= -0.016329 logG= -0.017250 TDE= -0.132394 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009386 tlogG= -0.008348 logG= -0.017734 Density= 0.140952 ETOT(band)= 0.005128 trlgG= -0.015193 logG= -0.017734 TDE= -0.132693 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002436 tlogG= -0.001842 logG= -0.004278 Density= 0.036940 ETOT(band)= 0.002589 trlgG= -0.002481 logG= -0.004278 TDE= -0.033644 logGD-logG0= -0.009665 tlogG= -0.007100 logG= -0.016764 Density= 0.144908 ETOT(band)= 0.008423 trlgG= -0.011171 logG= -0.016764 TDE= -0.133435 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009593 tlogG= -0.005237 logG= -0.014831 Density= 0.133719 ETOT(band)= -0.001956 trlgG= -0.019575 logG= -0.014831 TDE= -0.133038 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009323 tlogG= -0.008960 logG= -0.018282 Density= 0.139727 ETOT(band)= 0.003973 trlgG= -0.016827 logG= -0.018282 TDE= -0.132602 logGD-logG0= -0.019086 tlogG= -0.013070 logG= -0.032156 Density= 0.284785 ETOT(band)= 0.012789 trlgG= -0.025095 logG= -0.032156 TDE= -0.266169 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018754 tlogG= -0.015592 logG= -0.034346 Density= 0.280597 ETOT(band)= 0.009265 trlgG= -0.030119 logG= -0.034346 TDE= -0.264985 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009618 tlogG= -0.004938 logG= -0.014556 Density= 0.130712 ETOT(band)= -0.004750 trlgG= -0.022020 logG= -0.014556 TDE= -0.132873 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009793 tlogG= -0.006621 logG= -0.016415 Density= 0.145740 ETOT(band)= 0.008837 trlgG= -0.010718 logG= -0.016415 TDE= -0.134131 logGD-logG0= -0.009480 tlogG= -0.007446 logG= -0.016926 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.142537 ETOT(band)= 0.006593 trlgG= -0.013017 logG= -0.016926 TDE= -0.132845 logGD-logG0= -0.018865 tlogG= -0.013804 logG= -0.032668 Density= 0.277764 ETOT(band)= 0.006429 trlgG= -0.031348 logG= -0.032668 TDE= -0.265175 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019030 tlogG= -0.011525 logG= -0.030555 Density= 0.276935 ETOT(band)= 0.005863 trlgG= -0.030364 logG= -0.030555 TDE= -0.265508 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002333 tlogG= -0.002323 logG= -0.004656 Density= 0.034906 ETOT(band)= 0.000962 trlgG= -0.004337 logG= -0.004656 TDE= -0.033170 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009461 tlogG= -0.006584 logG= -0.016045 Density= 0.140883 ETOT(band)= 0.005376 trlgG= -0.013461 logG= -0.016045 TDE= -0.132583 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019135 tlogG= -0.011502 logG= -0.030638 Density= 0.270149 ETOT(band)= -0.004505 trlgG= -0.040922 logG= -0.030638 TDE= -0.269473 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009437 tlogG= -0.007244 logG= -0.016681 Density= 0.141072 ETOT(band)= 0.005315 trlgG= -0.014049 logG= -0.016681 TDE= -0.132716 logGD-logG0= -0.009427 tlogG= -0.006800 logG= -0.016227 Density= 0.139446 ETOT(band)= 0.004009 trlgG= -0.014817 logG= -0.016227 TDE= -0.132378 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003098 tlogG= 0.069169 logG= 0.066071 Density= 0.045896 ETOT(band)= 0.000669 trlgG= 0.065891 logG= 0.066071 TDE= -0.044213 logGD-logG0= -0.003109 tlogG= 0.069453 logG= 0.066345 Density= 0.046246 ETOT(band)= 0.000991 trlgG= 0.066512 logG= 0.066345 TDE= -0.044203 logGD-logG0= -0.003128 tlogG= 0.069851 logG= 0.066724 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Density= 0.046318 ETOT(band)= 0.001091 trlgG= 0.067007 logG= 0.066724 TDE= -0.044155 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002324 tlogG= 0.051896 logG= 0.049572 Density= 0.034484 ETOT(band)= 0.000552 trlgG= 0.049494 logG= 0.049572 TDE= -0.033163 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009477 tlogG= -0.006266 logG= -0.015743 Density= 0.137487 ETOT(band)= 0.001735 trlgG= -0.016840 logG= -0.015743 TDE= -0.133006 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009356 tlogG= 0.209077 logG= 0.199721 Density= 0.139209 ETOT(band)= 0.003527 trlgG= 0.200731 logG= 0.199721 TDE= -0.132551 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009320 tlogG= 0.208377 logG= 0.199057 Density= 0.138708 ETOT(band)= 0.003003 trlgG= 0.199507 logG= 0.199057 TDE= -0.132631 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004652 tlogG= 0.104006 logG= 0.099354 Density= 0.069211 ETOT(band)= 0.001336 trlgG= 0.099439 logG= 0.099354 TDE= -0.066318 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009648 tlogG= -0.005610 logG= -0.015258 Density= 0.141368 ETOT(band)= 0.005309 trlgG= -0.012975 logG= -0.015258 TDE= -0.133349 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009524 tlogG= -0.006050 logG= -0.015574 Density= 0.138712 ETOT(band)= 0.001631 trlgG= -0.016822 logG= -0.015574 TDE= -0.134332 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004771 tlogG= -0.002781 logG= -0.007552 Density= 0.068357 ETOT(band)= 0.000734 trlgG= -0.008203 logG= -0.007552 TDE= -0.066235 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Sum of eigenvalues= 4.53287715858927 eV TrLogG= -13.7551776651325 eV Ratio to renormalize= 0.999999999715 rho-rho_expected= 0.000000004563 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 32) Finished k-point number 33 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 45) Finished k-point number 46 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 47) Finished k-point number 48 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 58) Finished k-point number 59 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 88) Finished k-point number 89 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 85) Finished k-point number 86 1 with #bands= 20 89) Finished k-point number 90 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931338399059663 0.927975058563951 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 15) Finished k-point number 16 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 25) Finished k-point number 26 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 22) Finished k-point number 23 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 32) Finished k-point number 33 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 69) Finished k-point number 70 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0536936555937 Density= 16.0000712257022 16.0000000000000 EF 12.7815798234801 Density= 15.3559730101405 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95942887 0.93942887 0.712257E-04 -0.644027 1 0.95942666 0.93942887 0.102745E-04 -0.644027 2 0.95942629 0.95942666 -0.299671E-10 0.102745E-04 Absolute convergence of |F(X)|. Difference in EF= -0.0000351632 EF set to : 13.0536584924 new EF (no-mixing): 13.0536584924 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001208 tlogG= -0.001233 logG= -0.002441 Density= 0.018985 ETOT(band)= 0.001243 trlgG= -0.001607 logG= -0.002441 TDE= -0.017380 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009640 tlogG= -0.009407 logG= -0.019047 Density= 0.151774 ETOT(band)= 0.010195 trlgG= -0.012122 logG= -0.019047 TDE= -0.138691 logGD-logG0= -0.002408 tlogG= -0.002373 logG= -0.004781 Density= 0.037918 ETOT(band)= 0.002578 trlgG= -0.003024 logG= -0.004781 TDE= -0.034622 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004816 tlogG= -0.004556 logG= -0.009372 Density= 0.075859 ETOT(band)= 0.005176 trlgG= -0.005833 logG= -0.009372 TDE= -0.069242 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002413 tlogG= -0.002049 logG= -0.004463 Density= 0.037433 ETOT(band)= 0.002577 trlgG= -0.002750 logG= -0.004463 TDE= -0.034201 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001576 tlogG= -0.001301 logG= -0.002877 Density= 0.022795 ETOT(band)= -0.000149 trlgG= -0.003475 logG= -0.002877 TDE= -0.022468 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009692 tlogG= -0.006577 logG= -0.016269 Density= 0.143693 ETOT(band)= 0.004825 trlgG= -0.014649 logG= -0.016269 TDE= -0.136243 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009667 tlogG= -0.007942 logG= -0.017609 logGD-logG0= -0.009671 tlogG= -0.008549 logG= -0.018219 Density= 0.150789 ETOT(band)= 0.010608 trlgG= -0.011014 logG= -0.018219 TDE= -0.137466 Density= 0.150558 ETOT(band)= 0.010496 trlgG= -0.010497 logG= -0.017609 TDE= -0.137337 logGD-logG0= -0.004836 tlogG= -0.004135 logG= -0.008971 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.075500 ETOT(band)= 0.005192 trlgG= -0.005480 logG= -0.008971 TDE= -0.068946 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009681 tlogG= -0.008681 logG= -0.018362 Density= 0.151268 ETOT(band)= 0.010631 trlgG= -0.011094 logG= -0.018362 TDE= -0.137862 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009643 tlogG= -0.007684 logG= -0.017327 Density= 0.149872 ETOT(band)= 0.010859 trlgG= -0.009814 logG= -0.017327 TDE= -0.136278 logGD-logG0= -0.019313 tlogG= -0.014545 logG= -0.033858 Density= 0.299082 ETOT(band)= 0.020800 trlgG= -0.019622 logG= -0.033858 TDE= -0.272711 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019332 tlogG= -0.015661 logG= -0.034993 Density= 0.301289 ETOT(band)= 0.020935 trlgG= -0.020832 logG= -0.034993 TDE= -0.274903 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009684 tlogG= -0.006524 logG= -0.016208 Density= 0.147109 ETOT(band)= 0.008286 trlgG= -0.011191 logG= -0.016208 TDE= -0.136123 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003145 tlogG= -0.002497 logG= -0.005642 Density= 0.045415 ETOT(band)= -0.000297 trlgG= -0.006878 logG= -0.005642 TDE= -0.044808 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003099 tlogG= -0.002573 logG= -0.005673 Density= 0.045920 ETOT(band)= 0.000619 trlgG= -0.005841 logG= -0.005673 TDE= -0.044225 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003127 tlogG= -0.002523 logG= -0.005650 Density= 0.045649 ETOT(band)= 0.000112 trlgG= -0.006403 logG= -0.005650 TDE= -0.044550 logGD-logG0= -0.009447 tlogG= -0.007365 logG= -0.016812 Density= 0.136856 ETOT(band)= -0.000571 trlgG= -0.020231 logG= -0.016812 TDE= -0.134722 logGD-logG0= -0.009439 tlogG= -0.007279 logG= -0.016718 Density= 0.136725 ETOT(band)= -0.000516 trlgG= -0.020098 logG= -0.016718 TDE= -0.134558 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009424 tlogG= -0.007205 logG= -0.016630 Density= 0.136772 ETOT(band)= -0.000123 trlgG= -0.019586 logG= -0.016630 TDE= -0.134179 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009456 tlogG= -0.006571 logG= -0.016027 Density= 0.137971 ETOT(band)= 0.000808 trlgG= -0.018181 logG= -0.016027 TDE= -0.134528 logGD-logG0= -0.009368 tlogG= -0.007272 logG= -0.016640 Density= 0.137443 ETOT(band)= 0.001182 trlgG= -0.018044 logG= -0.016640 TDE= -0.133271 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009749 tlogG= -0.007034 logG= -0.016783 Density= 0.147466 ETOT(band)= 0.009004 trlgG= -0.011076 logG= -0.016783 TDE= -0.135776 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009463 tlogG= -0.006536 logG= -0.016000 Density= 0.137919 ETOT(band)= 0.000836 trlgG= -0.018160 logG= -0.016000 TDE= -0.134483 logGD-logG0= -0.009548 tlogG= -0.006272 logG= -0.015819 Density= 0.140318 ETOT(band)= 0.003410 trlgG= -0.015244 logG= -0.015819 TDE= -0.134049 logGD-logG0= -0.009686 tlogG= -0.007447 logG= -0.017134 Density= 0.148839 ETOT(band)= 0.010650 trlgG= -0.009805 logG= -0.017134 TDE= -0.135472 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009713 tlogG= -0.006425 logG= -0.016138 Density= 0.142501 ETOT(band)= 0.004328 trlgG= -0.014899 logG= -0.016138 TDE= -0.135480 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009428 tlogG= -0.006437 logG= -0.015865 logGD-logG0= -0.009404 tlogG= -0.007238 logG= -0.016641 Density= 0.137002 ETOT(band)= 0.000283 trlgG= -0.019106 logG= -0.016641 TDE= -0.133908 Density= 0.137735 ETOT(band)= 0.001067 trlgG= -0.017704 logG= -0.015865 TDE= -0.133986 logGD-logG0= -0.009449 tlogG= -0.006749 logG= -0.016199 Density= 0.138551 ETOT(band)= 0.001760 trlgG= -0.017181 logG= -0.016199 TDE= -0.133912 logGD-logG0= -0.009538 tlogG= -0.005538 logG= -0.015076 Density= 0.133704 ETOT(band)= -0.003145 trlgG= -0.021038 logG= -0.015076 TDE= -0.134240 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009509 tlogG= -0.005850 logG= -0.015359 Density= 0.138123 ETOT(band)= 0.001074 trlgG= -0.017239 logG= -0.015359 TDE= -0.134399 logGD-logG0= -0.004774 tlogG= -0.003052 logG= -0.007826 Density= 0.067608 ETOT(band)= -0.001214 trlgG= -0.010476 logG= -0.007826 TDE= -0.067514 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009397 tlogG= -0.006730 logG= -0.016127 logGD-logG0= -0.004789 tlogG= -0.002531 logG= -0.007320 Density= 0.139109 ETOT(band)= 0.003038 trlgG= -0.015709 logG= -0.016127 TDE= -0.133047 Density= 0.065355 ETOT(band)= -0.002703 trlgG= -0.011310 logG= -0.007320 TDE= -0.066693 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009526 tlogG= -0.006054 logG= -0.015580 Density= 0.138709 ETOT(band)= 0.001630 trlgG= -0.016830 logG= -0.015580 TDE= -0.134332 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009448 tlogG= -0.006767 logG= -0.016214 Density= 0.137590 ETOT(band)= 0.000359 trlgG= -0.018832 logG= -0.016214 TDE= -0.134624 logGD-logG0= -0.009492 tlogG= -0.005530 logG= -0.015022 Density= 0.136839 ETOT(band)= 0.000326 trlgG= -0.017645 logG= -0.015022 TDE= -0.133910 logGD-logG0= -0.009555 tlogG= -0.005928 logG= -0.015482 Density= 0.135889 ETOT(band)= -0.001420 trlgG= -0.019787 logG= -0.015482 TDE= -0.134680 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009613 tlogG= -0.006490 logG= -0.016103 Density= 0.143520 ETOT(band)= 0.006799 trlgG= -0.012228 logG= -0.016103 TDE= -0.133822 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019479 tlogG= -0.012593 logG= -0.032072 Density= 0.285061 ETOT(band)= 0.008207 trlgG= -0.030152 logG= -0.032072 TDE= -0.271574 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009764 tlogG= -0.006427 logG= -0.016190 Density= 0.143008 ETOT(band)= 0.004296 trlgG= -0.015085 logG= -0.016190 TDE= -0.136101 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018990 tlogG= -0.011787 logG= -0.030777 Density= 0.277995 ETOT(band)= 0.004111 trlgG= -0.032670 logG= -0.030777 TDE= -0.268609 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019112 tlogG= -0.011277 logG= -0.030389 Density= 0.275463 ETOT(band)= 0.001302 trlgG= -0.034896 logG= -0.030389 TDE= -0.268793 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019240 tlogG= -0.011891 logG= -0.031130 logGD-logG0= -0.019099 tlogG= -0.010674 logG= -0.029773 Density= 0.281464 ETOT(band)= 0.006915 trlgG= -0.030241 logG= -0.031130 TDE= -0.269155 Density= 0.271339 ETOT(band)= -0.002143 trlgG= -0.037748 logG= -0.029773 TDE= -0.268305 logGD-logG0= -0.018886 tlogG= -0.013530 logG= -0.032416 Density= 0.275347 ETOT(band)= 0.001345 trlgG= -0.036894 logG= -0.032416 TDE= -0.268653 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019198 tlogG= -0.009998 logG= -0.029196 Density= 0.263876 ETOT(band)= -0.008507 trlgG= -0.043216 logG= -0.029196 TDE= -0.267189 logGD-logG0= -0.019009 tlogG= -0.011937 logG= -0.030946 Density= 0.278353 ETOT(band)= 0.004172 trlgG= -0.032823 logG= -0.030946 TDE= -0.268936 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019529 tlogG= -0.012571 logG= -0.032100 Density= 0.289500 ETOT(band)= 0.014791 trlgG= -0.023460 logG= -0.032100 TDE= -0.269114 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004867 tlogG= -0.003519 logG= -0.008386 Density= 0.074737 ETOT(band)= 0.004997 trlgG= -0.005041 logG= -0.008386 TDE= -0.068359 logGD-logG0= -0.018920 tlogG= -0.012178 logG= -0.031098 logGD-logG0= -0.018988 tlogG= -0.012088 logG= -0.031076 Density= 0.278168 ETOT(band)= 0.004573 trlgG= -0.032347 logG= -0.031076 TDE= -0.268152 Density= 0.278996 ETOT(band)= 0.006549 trlgG= -0.030179 logG= -0.031098 TDE= -0.266756 logGD-logG0= -0.018818 tlogG= -0.013577 logG= -0.032395 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.276006 ETOT(band)= 0.003166 trlgG= -0.034660 logG= -0.032395 TDE= -0.267072 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018917 tlogG= -0.011470 logG= -0.030386 Density= 0.276540 ETOT(band)= 0.003975 trlgG= -0.032220 logG= -0.030386 TDE= -0.267153 logGD-logG0= -0.019202 tlogG= -0.010292 logG= -0.029494 Density= 0.277951 ETOT(band)= 0.004504 trlgG= -0.030871 logG= -0.029494 TDE= -0.268050 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019136 tlogG= -0.011504 logG= -0.030640 logGD-logG0= -0.000387 tlogG= 0.008630 logG= 0.008243 Density= 0.270151 ETOT(band)= -0.004504 trlgG= -0.040923 logG= -0.030640 TDE= -0.269473 Density= 0.005722 ETOT(band)= 0.000068 trlgG= 0.008207 logG= 0.008243 TDE= -0.005527 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009629 tlogG= -0.004798 logG= -0.014428 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 Density= 0.130906 ETOT(band)= -0.005270 trlgG= -0.022426 logG= -0.014428 TDE= -0.133593 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009566 tlogG= -0.005369 logG= -0.014935 Density= 0.132983 ETOT(band)= -0.003819 trlgG= -0.021508 logG= -0.014935 TDE= -0.134161 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019282 tlogG= -0.010971 logG= -0.030253 Density= 0.278042 ETOT(band)= 0.003618 trlgG= -0.032569 logG= -0.030253 TDE= -0.269077 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009626 tlogG= -0.005115 logG= -0.014741 Density= 0.139903 ETOT(band)= 0.002882 trlgG= -0.014858 logG= -0.014741 TDE= -0.134344 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019344 tlogG= -0.011736 logG= -0.031080 Density= 0.280271 ETOT(band)= 0.004460 trlgG= -0.032741 logG= -0.031080 TDE= -0.270561 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019143 tlogG= -0.010362 logG= -0.029505 Density= 0.274326 ETOT(band)= 0.001870 trlgG= -0.033401 logG= -0.029505 TDE= -0.267092 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009784 tlogG= -0.005880 logG= -0.015664 Density= 0.143860 ETOT(band)= 0.006287 trlgG= -0.012442 logG= -0.015664 TDE= -0.134800 logGD-logG0= -0.019183 tlogG= -0.010427 logG= -0.029609 Density= 0.272226 ETOT(band)= -0.001867 trlgG= -0.037148 logG= -0.029609 TDE= -0.268720 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019237 tlogG= -0.009905 logG= -0.029142 Density= 0.266879 ETOT(band)= -0.006379 trlgG= -0.041090 logG= -0.029142 TDE= -0.267999 logGD-logG0= -0.009577 tlogG= -0.005404 logG= -0.014982 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.135891 ETOT(band)= -0.001260 trlgG= -0.018975 logG= -0.014982 TDE= -0.134371 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009567 tlogG= -0.005047 logG= -0.014614 Density= 0.136464 ETOT(band)= -0.000402 trlgG= -0.017718 logG= -0.014614 TDE= -0.134031 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009587 tlogG= -0.005185 logG= -0.014772 Density= 0.136891 ETOT(band)= -0.000101 trlgG= -0.017663 logG= -0.014772 TDE= -0.134228 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004792 tlogG= -0.002611 logG= -0.007403 Density= 0.068653 ETOT(band)= 0.000097 trlgG= -0.008750 logG= -0.007403 TDE= -0.067215 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002436 tlogG= -0.001842 logG= -0.004278 Density= 0.036940 ETOT(band)= 0.002589 trlgG= -0.002481 logG= -0.004278 TDE= -0.033644 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002333 tlogG= -0.002323 logG= -0.004656 Density= 0.034906 ETOT(band)= 0.000962 trlgG= -0.004337 logG= -0.004656 TDE= -0.033170 logGD-logG0= -0.009374 tlogG= -0.007664 logG= -0.017038 Density= 0.138692 ETOT(band)= 0.002990 trlgG= -0.016442 logG= -0.017038 TDE= -0.132468 logGD-logG0= -0.009324 tlogG= -0.008730 logG= -0.018054 Density= 0.139537 ETOT(band)= 0.003786 trlgG= -0.016718 logG= -0.018054 TDE= -0.132539 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009436 tlogG= -0.007244 logG= -0.016680 Density= 0.141071 ETOT(band)= 0.005314 trlgG= -0.014049 logG= -0.016680 TDE= -0.132716 logGD-logG0= -0.002379 tlogG= -0.001949 logG= -0.004328 Density= 0.035817 ETOT(band)= 0.001779 trlgG= -0.003216 logG= -0.004328 TDE= -0.033252 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009421 tlogG= -0.007317 logG= -0.016738 Density= 0.137684 ETOT(band)= 0.001735 trlgG= -0.017549 logG= -0.016738 TDE= -0.132908 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009664 tlogG= -0.007099 logG= -0.016764 Density= 0.144908 ETOT(band)= 0.008422 trlgG= -0.011170 logG= -0.016764 TDE= -0.133435 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004679 tlogG= -0.003979 logG= -0.008657 Density= 0.069990 ETOT(band)= 0.002191 trlgG= -0.007716 logG= -0.008657 TDE= -0.066209 logGD-logG0= -0.009356 tlogG= -0.007893 logG= -0.017249 Density= 0.138953 ETOT(band)= 0.003364 trlgG= -0.016328 logG= -0.017249 TDE= -0.132394 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009386 tlogG= -0.008349 logG= -0.017735 Density= 0.140952 ETOT(band)= 0.005128 trlgG= -0.015195 logG= -0.017735 TDE= -0.132693 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009477 tlogG= -0.006265 logG= -0.015742 Density= 0.137488 ETOT(band)= 0.001735 trlgG= -0.016839 logG= -0.015742 TDE= -0.133006 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009593 tlogG= -0.005237 logG= -0.014830 Density= 0.133715 ETOT(band)= -0.001960 trlgG= -0.019578 logG= -0.014830 TDE= -0.133038 logGD-logG0= -0.004772 tlogG= -0.002782 logG= -0.007554 Density= 0.068360 ETOT(band)= 0.000738 trlgG= -0.008202 logG= -0.007554 TDE= -0.066235 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009426 tlogG= -0.006799 logG= -0.016225 Density= 0.139445 ETOT(band)= 0.004008 trlgG= -0.014816 logG= -0.016225 TDE= -0.132378 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019087 tlogG= -0.013070 logG= -0.032157 logGD-logG0= -0.009323 tlogG= -0.008960 logG= -0.018283 Density= 0.284785 ETOT(band)= 0.012789 trlgG= -0.025096 logG= -0.032157 TDE= -0.266169 Density= 0.139727 ETOT(band)= 0.003973 trlgG= -0.016827 logG= -0.018283 TDE= -0.132602 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018754 tlogG= -0.015592 logG= -0.034345 Density= 0.280597 ETOT(band)= 0.009264 trlgG= -0.030118 logG= -0.034345 TDE= -0.264986 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009616 tlogG= -0.004936 logG= -0.014552 Density= 0.130710 ETOT(band)= -0.004754 trlgG= -0.022018 logG= -0.014552 TDE= -0.132873 logGD-logG0= -0.009480 tlogG= -0.007446 logG= -0.016926 Density= 0.142537 ETOT(band)= 0.006592 trlgG= -0.013017 logG= -0.016926 TDE= -0.132845 logGD-logG0= -0.009648 tlogG= -0.005610 logG= -0.015258 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.141368 ETOT(band)= 0.005309 trlgG= -0.012975 logG= -0.015258 TDE= -0.133350 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009793 tlogG= -0.006621 logG= -0.016415 Density= 0.145741 ETOT(band)= 0.008837 trlgG= -0.010718 logG= -0.016415 TDE= -0.134130 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018864 tlogG= -0.013805 logG= -0.032669 Density= 0.277765 ETOT(band)= 0.006428 trlgG= -0.031349 logG= -0.032669 TDE= -0.265175 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019031 tlogG= -0.011521 logG= -0.030552 Density= 0.276933 ETOT(band)= 0.005862 trlgG= -0.030364 logG= -0.030552 TDE= -0.265508 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009461 tlogG= -0.006584 logG= -0.016045 Density= 0.140883 ETOT(band)= 0.005376 trlgG= -0.013461 logG= -0.016045 TDE= -0.132583 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003099 tlogG= 0.069169 logG= 0.066070 Density= 0.045896 ETOT(band)= 0.000670 trlgG= 0.065890 logG= 0.066070 TDE= -0.044213 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002324 tlogG= 0.051896 logG= 0.049572 Density= 0.034485 ETOT(band)= 0.000552 trlgG= 0.049494 logG= 0.049572 TDE= -0.033163 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003127 tlogG= 0.069851 logG= 0.066724 Density= 0.046318 ETOT(band)= 0.001091 trlgG= 0.067007 logG= 0.066724 TDE= -0.044155 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004652 tlogG= 0.104005 logG= 0.099353 Density= 0.069211 ETOT(band)= 0.001335 trlgG= 0.099438 logG= 0.099353 TDE= -0.066318 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009320 tlogG= 0.208376 logG= 0.199056 Density= 0.138709 ETOT(band)= 0.003002 trlgG= 0.199506 logG= 0.199056 TDE= -0.132631 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003109 tlogG= 0.069453 logG= 0.066344 Density= 0.046246 ETOT(band)= 0.000991 trlgG= 0.066511 logG= 0.066344 TDE= -0.044203 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009356 tlogG= 0.209077 logG= 0.199721 Density= 0.139209 ETOT(band)= 0.003527 trlgG= 0.200731 logG= 0.199721 TDE= -0.132551 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.53216116499546 eV TrLogG= -13.7559205157243 eV Ratio to renormalize= 0.999999999717 rho-rho_expected= 0.000000004533 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 23) Finished k-point number 24 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 61) Finished k-point number 62 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 34) Finished k-point number 35 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 36) Finished k-point number 37 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 78) Finished k-point number 79 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 91) Finished k-point number 92 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 92) Finished k-point number 93 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931365498026447 0.928002367354968 7) Finished k-point number 8 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 15) Finished k-point number 16 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 8) Finished k-point number 9 1 with #bands= 26 49) Finished k-point number 50 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 55) Finished k-point number 56 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 79) Finished k-point number 80 1 with #bands= 20 17) Finished k-point number 18 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 22) Finished k-point number 23 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 45) Finished k-point number 46 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 65) Finished k-point number 66 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 66) Finished k-point number 67 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0536584923732 Density= 16.0000435944035 16.0000000000000 EF 12.7815446602596 Density= 15.3559720556595 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95942629 0.93942629 0.435944E-04 -0.644028 1 0.95942493 0.93942629 0.628866E-05 -0.644028 2 0.95942471 0.95942493 -0.111786E-10 0.628866E-05 Absolute convergence of |F(X)|. Difference in EF= -0.0000215229 EF set to : 13.0536369694 new EF (no-mixing): 13.0536369694 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001208 tlogG= -0.001233 logG= -0.002441 Density= 0.018985 ETOT(band)= 0.001243 trlgG= -0.001606 logG= -0.002441 TDE= -0.017380 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002408 tlogG= -0.002373 logG= -0.004781 Density= 0.037918 ETOT(band)= 0.002578 trlgG= -0.003024 logG= -0.004781 TDE= -0.034622 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009640 tlogG= -0.009407 logG= -0.019047 Density= 0.151774 ETOT(band)= 0.010196 trlgG= -0.012122 logG= -0.019047 TDE= -0.138691 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004816 tlogG= -0.004556 logG= -0.009372 Density= 0.075860 ETOT(band)= 0.005176 trlgG= -0.005833 logG= -0.009372 TDE= -0.069242 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002413 tlogG= -0.002049 logG= -0.004463 Density= 0.037433 ETOT(band)= 0.002577 trlgG= -0.002750 logG= -0.004463 TDE= -0.034201 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001576 tlogG= -0.001301 logG= -0.002877 Density= 0.022795 ETOT(band)= -0.000149 trlgG= -0.003475 logG= -0.002877 TDE= -0.022468 logGD-logG0= -0.004836 tlogG= -0.004134 logG= -0.008970 Density= 0.075500 ETOT(band)= 0.005191 trlgG= -0.005480 logG= -0.008970 TDE= -0.068946 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009667 tlogG= -0.007942 logG= -0.017609 Density= 0.150559 ETOT(band)= 0.010496 trlgG= -0.010497 logG= -0.017609 TDE= -0.137337 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009671 tlogG= -0.008549 logG= -0.018220 Density= 0.150790 ETOT(band)= 0.010609 trlgG= -0.011014 logG= -0.018220 TDE= -0.137466 logGD-logG0= -0.009692 tlogG= -0.006574 logG= -0.016266 Density= 0.143706 ETOT(band)= 0.004838 trlgG= -0.014634 logG= -0.016266 TDE= -0.136243 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009643 tlogG= -0.007685 logG= -0.017327 Density= 0.149872 ETOT(band)= 0.010859 trlgG= -0.009814 logG= -0.017327 TDE= -0.136278 logGD-logG0= -0.009681 tlogG= -0.008681 logG= -0.018362 Density= 0.151269 ETOT(band)= 0.010631 trlgG= -0.011094 logG= -0.018362 TDE= -0.137862 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019332 tlogG= -0.015663 logG= -0.034996 Density= 0.301289 ETOT(band)= 0.020934 trlgG= -0.020834 logG= -0.034996 TDE= -0.274903 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019313 tlogG= -0.014546 logG= -0.033859 Density= 0.299081 ETOT(band)= 0.020798 trlgG= -0.019624 logG= -0.033859 TDE= -0.272711 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009684 tlogG= -0.006524 logG= -0.016208 Density= 0.147109 ETOT(band)= 0.008286 trlgG= -0.011191 logG= -0.016208 TDE= -0.136123 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003145 tlogG= -0.002497 logG= -0.005642 Density= 0.045415 ETOT(band)= -0.000297 trlgG= -0.006878 logG= -0.005642 TDE= -0.044808 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003099 tlogG= -0.002573 logG= -0.005672 Density= 0.045920 ETOT(band)= 0.000619 trlgG= -0.005840 logG= -0.005672 TDE= -0.044225 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003127 tlogG= -0.002523 logG= -0.005650 Density= 0.045649 ETOT(band)= 0.000112 trlgG= -0.006403 logG= -0.005650 TDE= -0.044550 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009447 tlogG= -0.007365 logG= -0.016812 Density= 0.136856 ETOT(band)= -0.000571 trlgG= -0.020231 logG= -0.016812 TDE= -0.134722 logGD-logG0= -0.009440 tlogG= -0.007279 logG= -0.016719 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136726 ETOT(band)= -0.000515 trlgG= -0.020099 logG= -0.016719 TDE= -0.134558 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009424 tlogG= -0.007205 logG= -0.016629 Density= 0.136772 ETOT(band)= -0.000123 trlgG= -0.019586 logG= -0.016629 TDE= -0.134179 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009455 tlogG= -0.006569 logG= -0.016025 Density= 0.137972 ETOT(band)= 0.000808 trlgG= -0.018179 logG= -0.016025 TDE= -0.134528 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009713 tlogG= -0.006425 logG= -0.016138 Density= 0.142502 ETOT(band)= 0.004328 trlgG= -0.014899 logG= -0.016138 TDE= -0.135480 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009749 tlogG= -0.007034 logG= -0.016783 Density= 0.147466 ETOT(band)= 0.009003 trlgG= -0.011077 logG= -0.016783 TDE= -0.135776 logGD-logG0= -0.009368 tlogG= -0.007274 logG= -0.016642 Density= 0.137443 ETOT(band)= 0.001181 trlgG= -0.018047 logG= -0.016642 TDE= -0.133271 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009686 tlogG= -0.007447 logG= -0.017134 Density= 0.148839 ETOT(band)= 0.010649 trlgG= -0.009806 logG= -0.017134 TDE= -0.135472 logGD-logG0= -0.009508 tlogG= -0.005850 logG= -0.015359 Density= 0.138123 ETOT(band)= 0.001074 trlgG= -0.017240 logG= -0.015359 TDE= -0.134399 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009464 tlogG= -0.006535 logG= -0.015999 logGD-logG0= -0.009548 tlogG= -0.006271 logG= -0.015819 Density= 0.137920 ETOT(band)= 0.000836 trlgG= -0.018159 logG= -0.015999 TDE= -0.134483 Density= 0.140319 ETOT(band)= 0.003411 trlgG= -0.015243 logG= -0.015819 TDE= -0.134049 logGD-logG0= -0.009404 tlogG= -0.007238 logG= -0.016641 Density= 0.137003 ETOT(band)= 0.000283 trlgG= -0.019105 logG= -0.016641 TDE= -0.133908 logGD-logG0= -0.009428 tlogG= -0.006438 logG= -0.015866 Density= 0.137735 ETOT(band)= 0.001066 trlgG= -0.017705 logG= -0.015866 TDE= -0.133986 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004774 tlogG= -0.003053 logG= -0.007826 Density= 0.067608 ETOT(band)= -0.001214 trlgG= -0.010475 logG= -0.007826 TDE= -0.067514 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009450 tlogG= -0.006750 logG= -0.016201 Density= 0.138551 ETOT(band)= 0.001760 trlgG= -0.017184 logG= -0.016201 TDE= -0.133913 logGD-logG0= -0.009397 tlogG= -0.006729 logG= -0.016126 Density= 0.139109 ETOT(band)= 0.003039 trlgG= -0.015709 logG= -0.016126 TDE= -0.133047 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009554 tlogG= -0.005929 logG= -0.015483 Density= 0.135889 ETOT(band)= -0.001420 trlgG= -0.019788 logG= -0.015483 TDE= -0.134680 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009613 tlogG= -0.006490 logG= -0.016103 Density= 0.143519 ETOT(band)= 0.006798 trlgG= -0.012229 logG= -0.016103 TDE= -0.133822 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004789 tlogG= -0.002529 logG= -0.007318 Density= 0.065345 ETOT(band)= -0.002713 trlgG= -0.011317 logG= -0.007318 TDE= -0.066693 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009448 tlogG= -0.006764 logG= -0.016213 Density= 0.137591 ETOT(band)= 0.000361 trlgG= -0.018829 logG= -0.016213 TDE= -0.134624 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009491 tlogG= -0.005529 logG= -0.015021 logGD-logG0= -0.009524 tlogG= -0.006052 logG= -0.015576 Density= 0.138711 ETOT(band)= 0.001630 trlgG= -0.016825 logG= -0.015576 TDE= -0.134332 Density= 0.136840 ETOT(band)= 0.000326 trlgG= -0.017643 logG= -0.015021 TDE= -0.133910 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009538 tlogG= -0.005538 logG= -0.015077 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.133710 ETOT(band)= -0.003139 trlgG= -0.021033 logG= -0.015077 TDE= -0.134240 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018920 tlogG= -0.012176 logG= -0.031096 Density= 0.278993 ETOT(band)= 0.006546 trlgG= -0.030180 logG= -0.031096 TDE= -0.266756 logGD-logG0= -0.009764 tlogG= -0.006427 logG= -0.016190 Density= 0.143008 ETOT(band)= 0.004295 trlgG= -0.015086 logG= -0.016190 TDE= -0.136101 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019009 tlogG= -0.011939 logG= -0.030948 Density= 0.278352 ETOT(band)= 0.004170 trlgG= -0.032827 logG= -0.030948 TDE= -0.268936 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019479 tlogG= -0.012591 logG= -0.032070 Density= 0.285073 ETOT(band)= 0.008219 trlgG= -0.030138 logG= -0.032070 TDE= -0.271574 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018991 tlogG= -0.011787 logG= -0.030778 Density= 0.277995 ETOT(band)= 0.004111 trlgG= -0.032671 logG= -0.030778 TDE= -0.268609 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018887 tlogG= -0.013532 logG= -0.032419 Density= 0.275348 ETOT(band)= 0.001346 trlgG= -0.036895 logG= -0.032419 TDE= -0.268653 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019094 tlogG= -0.010665 logG= -0.029760 Density= 0.271320 ETOT(band)= -0.002167 trlgG= -0.037754 logG= -0.029760 TDE= -0.268305 logGD-logG0= -0.018990 tlogG= -0.012090 logG= -0.031080 Density= 0.278168 ETOT(band)= 0.004574 trlgG= -0.032351 logG= -0.031080 TDE= -0.268152 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018917 tlogG= -0.011466 logG= -0.030383 Density= 0.276536 ETOT(band)= 0.003970 trlgG= -0.032221 logG= -0.030383 TDE= -0.267153 logGD-logG0= -0.019113 tlogG= -0.011282 logG= -0.030396 Density= 0.275460 ETOT(band)= 0.001300 trlgG= -0.034906 logG= -0.030396 TDE= -0.268793 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004867 tlogG= -0.003519 logG= -0.008386 logGD-logG0= -0.019198 tlogG= -0.009995 logG= -0.029193 Density= 0.074737 ETOT(band)= 0.004997 trlgG= -0.005040 logG= -0.008386 TDE= -0.068359 Density= 0.263850 ETOT(band)= -0.008533 trlgG= -0.043237 logG= -0.029193 TDE= -0.267189 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019239 tlogG= -0.011891 logG= -0.031130 Density= 0.281469 ETOT(band)= 0.006919 trlgG= -0.030236 logG= -0.031130 TDE= -0.269155 logGD-logG0= -0.019529 tlogG= -0.012571 logG= -0.032100 Density= 0.289487 ETOT(band)= 0.014778 trlgG= -0.023472 logG= -0.032100 TDE= -0.269114 logGD-logG0= -0.009630 tlogG= -0.004800 logG= -0.014431 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.130905 ETOT(band)= -0.005271 trlgG= -0.022430 logG= -0.014431 TDE= -0.133593 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019135 tlogG= -0.011503 logG= -0.030638 Density= 0.270148 ETOT(band)= -0.004508 trlgG= -0.040924 logG= -0.030638 TDE= -0.269473 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019203 tlogG= -0.010282 logG= -0.029485 Density= 0.277942 ETOT(band)= 0.004495 trlgG= -0.030871 logG= -0.029485 TDE= -0.268050 logGD-logG0= -0.000387 tlogG= 0.008630 logG= 0.008243 Density= 0.005722 ETOT(band)= 0.000068 trlgG= 0.008207 logG= 0.008243 TDE= -0.005527 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009566 tlogG= -0.005369 logG= -0.014935 Density= 0.132985 ETOT(band)= -0.003817 trlgG= -0.021507 logG= -0.014935 TDE= -0.134161 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.018817 tlogG= -0.013581 logG= -0.032398 logGD-logG0= -0.009784 tlogG= -0.005880 logG= -0.015665 Density= 0.276004 ETOT(band)= 0.003162 trlgG= -0.034664 logG= -0.032398 TDE= -0.267072 logGD-logG0= -0.019343 tlogG= -0.011736 logG= -0.031079 logGD-logG0= -0.019283 tlogG= -0.010971 logG= -0.030255 Density= 0.278043 ETOT(band)= 0.003619 trlgG= -0.032570 logG= -0.030255 TDE= -0.269077 Density= 0.143860 ETOT(band)= 0.006287 trlgG= -0.012442 logG= -0.015665 TDE= -0.134800 Density= 0.280270 ETOT(band)= 0.004458 trlgG= -0.032742 logG= -0.031079 TDE= -0.270561 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009626 tlogG= -0.005114 logG= -0.014740 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.139904 ETOT(band)= 0.002883 trlgG= -0.014856 logG= -0.014740 TDE= -0.134344 logGD-logG0= -0.019145 tlogG= -0.010364 logG= -0.029509 Density= 0.274310 ETOT(band)= 0.001854 trlgG= -0.033421 logG= -0.029509 TDE= -0.267092 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019183 tlogG= -0.010426 logG= -0.029609 Density= 0.272237 ETOT(band)= -0.001857 trlgG= -0.037138 logG= -0.029609 TDE= -0.268720 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019236 tlogG= -0.009909 logG= -0.029145 Density= 0.266898 ETOT(band)= -0.006362 trlgG= -0.041076 logG= -0.029145 TDE= -0.267999 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009568 tlogG= -0.005049 logG= -0.014617 Density= 0.136465 ETOT(band)= -0.000401 trlgG= -0.017720 logG= -0.014617 TDE= -0.134031 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004792 tlogG= -0.002611 logG= -0.007403 Density= 0.068653 ETOT(band)= 0.000097 trlgG= -0.008750 logG= -0.007403 TDE= -0.067215 logGD-logG0= -0.009587 tlogG= -0.005185 logG= -0.014772 Density= 0.136891 ETOT(band)= -0.000101 trlgG= -0.017664 logG= -0.014772 TDE= -0.134229 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009577 tlogG= -0.005404 logG= -0.014980 Density= 0.135893 ETOT(band)= -0.001260 trlgG= -0.018973 logG= -0.014980 TDE= -0.134371 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002436 tlogG= -0.001842 logG= -0.004278 logGD-logG0= -0.002333 tlogG= -0.002323 logG= -0.004656 Density= 0.036940 ETOT(band)= 0.002589 trlgG= -0.002481 logG= -0.004278 TDE= -0.033644 Density= 0.034906 ETOT(band)= 0.000962 trlgG= -0.004337 logG= -0.004656 TDE= -0.033170 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009324 tlogG= -0.008730 logG= -0.018054 Density= 0.139537 ETOT(band)= 0.003786 trlgG= -0.016718 logG= -0.018054 TDE= -0.132539 logGD-logG0= -0.009374 tlogG= -0.007664 logG= -0.017038 Density= 0.138692 ETOT(band)= 0.002990 trlgG= -0.016442 logG= -0.017038 TDE= -0.132468 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009421 tlogG= -0.007317 logG= -0.016738 Density= 0.137685 ETOT(band)= 0.001736 trlgG= -0.017547 logG= -0.016738 TDE= -0.132908 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009665 tlogG= -0.007100 logG= -0.016764 Density= 0.144908 ETOT(band)= 0.008423 trlgG= -0.011171 logG= -0.016764 TDE= -0.133435 logGD-logG0= -0.009386 tlogG= -0.008348 logG= -0.017734 Density= 0.140953 ETOT(band)= 0.005128 trlgG= -0.015193 logG= -0.017734 TDE= -0.132693 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009436 tlogG= -0.007243 logG= -0.016679 Density= 0.141072 ETOT(band)= 0.005315 trlgG= -0.014047 logG= -0.016679 TDE= -0.132717 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002379 tlogG= -0.001949 logG= -0.004328 Density= 0.035817 ETOT(band)= 0.001779 trlgG= -0.003217 logG= -0.004328 TDE= -0.033252 logGD-logG0= -0.009355 tlogG= -0.007893 logG= -0.017248 Density= 0.138953 ETOT(band)= 0.003364 trlgG= -0.016327 logG= -0.017248 TDE= -0.132394 logGD-logG0= -0.004679 tlogG= -0.003979 logG= -0.008657 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.069991 ETOT(band)= 0.002192 trlgG= -0.007716 logG= -0.008657 TDE= -0.066209 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009593 tlogG= -0.005236 logG= -0.014829 logGD-logG0= -0.009477 tlogG= -0.006266 logG= -0.015743 Density= 0.133711 ETOT(band)= -0.001965 trlgG= -0.019582 logG= -0.014829 TDE= -0.133038 Density= 0.137488 ETOT(band)= 0.001735 trlgG= -0.016839 logG= -0.015743 TDE= -0.133006 logGD-logG0= -0.009427 tlogG= -0.006801 logG= -0.016228 Density= 0.139447 ETOT(band)= 0.004009 trlgG= -0.014817 logG= -0.016228 TDE= -0.132378 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004771 tlogG= -0.002781 logG= -0.007552 Density= 0.068356 ETOT(band)= 0.000733 trlgG= -0.008204 logG= -0.007552 TDE= -0.066235 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018754 tlogG= -0.015593 logG= -0.034347 Density= 0.280597 ETOT(band)= 0.009263 trlgG= -0.030120 logG= -0.034347 TDE= -0.264986 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019086 tlogG= -0.013069 logG= -0.032155 Density= 0.284786 ETOT(band)= 0.012788 trlgG= -0.025094 logG= -0.032155 TDE= -0.266170 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009323 tlogG= -0.008960 logG= -0.018283 Density= 0.139727 ETOT(band)= 0.003972 trlgG= -0.016827 logG= -0.018283 TDE= -0.132602 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009618 tlogG= -0.004939 logG= -0.014556 Density= 0.130711 ETOT(band)= -0.004752 trlgG= -0.022022 logG= -0.014556 TDE= -0.132873 logGD-logG0= -0.009480 tlogG= -0.007446 logG= -0.016926 Density= 0.142537 ETOT(band)= 0.006592 trlgG= -0.013017 logG= -0.016926 TDE= -0.132845 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009793 tlogG= -0.006621 logG= -0.016415 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.145741 ETOT(band)= 0.008837 trlgG= -0.010718 logG= -0.016415 TDE= -0.134131 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018865 tlogG= -0.013806 logG= -0.032671 Density= 0.277765 ETOT(band)= 0.006428 trlgG= -0.031351 logG= -0.032671 TDE= -0.265175 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009461 tlogG= -0.006584 logG= -0.016045 Density= 0.140883 ETOT(band)= 0.005375 trlgG= -0.013461 logG= -0.016045 TDE= -0.132583 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009648 tlogG= -0.005611 logG= -0.015258 Density= 0.141368 ETOT(band)= 0.005308 trlgG= -0.012976 logG= -0.015258 TDE= -0.133350 logGD-logG0= -0.019034 tlogG= -0.011530 logG= -0.030564 Density= 0.276957 ETOT(band)= 0.005886 trlgG= -0.030353 logG= -0.030564 TDE= -0.265509 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003098 tlogG= 0.069169 logG= 0.066070 Density= 0.045896 ETOT(band)= 0.000669 trlgG= 0.065891 logG= 0.066070 TDE= -0.044213 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003109 tlogG= 0.069453 logG= 0.066344 Density= 0.046246 ETOT(band)= 0.000991 trlgG= 0.066511 logG= 0.066344 TDE= -0.044203 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003128 tlogG= 0.069851 logG= 0.066723 Density= 0.046318 ETOT(band)= 0.001091 trlgG= 0.067006 logG= 0.066723 TDE= -0.044155 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002324 tlogG= 0.051896 logG= 0.049571 Density= 0.034485 ETOT(band)= 0.000552 trlgG= 0.049494 logG= 0.049571 TDE= -0.033163 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009320 tlogG= 0.208376 logG= 0.199055 Density= 0.138709 ETOT(band)= 0.003002 trlgG= 0.199505 logG= 0.199055 TDE= -0.132631 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004653 tlogG= 0.104005 logG= 0.099352 Density= 0.069211 ETOT(band)= 0.001335 trlgG= 0.099437 logG= 0.099352 TDE= -0.066318 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009357 tlogG= 0.209076 logG= 0.199719 Density= 0.139209 ETOT(band)= 0.003527 trlgG= 0.200728 logG= 0.199719 TDE= -0.132552 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.53164260487705 eV TrLogG= -13.7564739911161 eV Ratio to renormalize= 0.999999999716 rho-rho_expected= 0.000000004552 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 96) Finished k-point number 97 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 98) Finished k-point number 99 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 67) Finished k-point number 68 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 81) Finished k-point number 82 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 85) Finished k-point number 86 1 with #bands= 20 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931365319152476 0.927941043125448 7) Finished k-point number 8 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 25) Finished k-point number 26 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 24) Finished k-point number 25 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 85) Finished k-point number 86 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 42) Finished k-point number 43 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 58) Finished k-point number 59 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 63) Finished k-point number 64 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0536369694292 Density= 16.0001211393210 16.0000000000000 EF 12.7815231373156 Density= 15.3560575584125 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95942471 0.93942471 0.121139E-03 -0.643942 1 0.95942094 0.93942471 0.174858E-04 -0.643942 2 0.95942031 0.95942094 -0.864144E-10 0.174858E-04 Absolute convergence of |F(X)|. Difference in EF= -0.0000598145 EF set to : 13.0535771549 new EF (no-mixing): 13.0535771549 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001208 tlogG= -0.001233 logG= -0.002441 Density= 0.018985 ETOT(band)= 0.001243 trlgG= -0.001607 logG= -0.002441 TDE= -0.017380 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002408 tlogG= -0.002373 logG= -0.004781 Density= 0.037918 ETOT(band)= 0.002578 trlgG= -0.003024 logG= -0.004781 TDE= -0.034622 logGD-logG0= -0.009640 tlogG= -0.009407 logG= -0.019046 Density= 0.151774 ETOT(band)= 0.010195 trlgG= -0.012122 logG= -0.019046 TDE= -0.138691 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004816 tlogG= -0.004556 logG= -0.009372 Density= 0.075860 ETOT(band)= 0.005176 trlgG= -0.005833 logG= -0.009372 TDE= -0.069242 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002413 tlogG= -0.002049 logG= -0.004462 Density= 0.037433 ETOT(band)= 0.002577 trlgG= -0.002750 logG= -0.004462 TDE= -0.034201 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004836 tlogG= -0.004134 logG= -0.008969 Density= 0.075498 ETOT(band)= 0.005189 trlgG= -0.005481 logG= -0.008969 TDE= -0.068946 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001576 tlogG= -0.001301 logG= -0.002877 Density= 0.022795 ETOT(band)= -0.000149 trlgG= -0.003475 logG= -0.002877 TDE= -0.022468 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009667 tlogG= -0.007943 logG= -0.017610 Density= 0.150558 ETOT(band)= 0.010495 trlgG= -0.010498 logG= -0.017610 TDE= -0.137337 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009671 tlogG= -0.008549 logG= -0.018220 Density= 0.150790 ETOT(band)= 0.010608 trlgG= -0.011014 logG= -0.018220 TDE= -0.137466 logGD-logG0= -0.009692 tlogG= -0.006575 logG= -0.016267 Density= 0.143691 ETOT(band)= 0.004823 trlgG= -0.014649 logG= -0.016267 TDE= -0.136243 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009681 tlogG= -0.008681 logG= -0.018362 Density= 0.151269 ETOT(band)= 0.010631 trlgG= -0.011094 logG= -0.018362 TDE= -0.137862 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009643 tlogG= -0.007684 logG= -0.017327 Density= 0.149872 ETOT(band)= 0.010858 trlgG= -0.009814 logG= -0.017327 TDE= -0.136278 logGD-logG0= -0.019313 tlogG= -0.014545 logG= -0.033858 Density= 0.299080 ETOT(band)= 0.020796 trlgG= -0.019625 logG= -0.033858 TDE= -0.272711 logGD-logG0= -0.019332 tlogG= -0.015662 logG= -0.034994 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.301287 ETOT(band)= 0.020932 trlgG= -0.020835 logG= -0.034994 TDE= -0.274902 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009683 tlogG= -0.006524 logG= -0.016207 Density= 0.147108 ETOT(band)= 0.008285 trlgG= -0.011191 logG= -0.016207 TDE= -0.136123 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003145 tlogG= -0.002497 logG= -0.005642 Density= 0.045415 ETOT(band)= -0.000297 trlgG= -0.006878 logG= -0.005642 TDE= -0.044808 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003099 tlogG= -0.002573 logG= -0.005672 Density= 0.045920 ETOT(band)= 0.000619 trlgG= -0.005840 logG= -0.005672 TDE= -0.044225 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003127 tlogG= -0.002523 logG= -0.005650 Density= 0.045649 ETOT(band)= 0.000112 trlgG= -0.006403 logG= -0.005650 TDE= -0.044550 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009440 tlogG= -0.007278 logG= -0.016718 Density= 0.136725 ETOT(band)= -0.000516 trlgG= -0.020098 logG= -0.016718 TDE= -0.134557 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009448 tlogG= -0.007364 logG= -0.016812 Density= 0.136856 ETOT(band)= -0.000571 trlgG= -0.020232 logG= -0.016812 TDE= -0.134722 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009424 tlogG= -0.007205 logG= -0.016629 Density= 0.136772 ETOT(band)= -0.000124 trlgG= -0.019587 logG= -0.016629 TDE= -0.134179 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009686 tlogG= -0.007447 logG= -0.017133 Density= 0.148839 ETOT(band)= 0.010649 trlgG= -0.009805 logG= -0.017133 TDE= -0.135471 logGD-logG0= -0.009456 tlogG= -0.006571 logG= -0.016026 Density= 0.137972 ETOT(band)= 0.000808 trlgG= -0.018181 logG= -0.016026 TDE= -0.134528 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009749 tlogG= -0.007035 logG= -0.016783 Density= 0.147466 ETOT(band)= 0.009003 trlgG= -0.011078 logG= -0.016783 TDE= -0.135776 logGD-logG0= -0.009713 tlogG= -0.006425 logG= -0.016137 Density= 0.142501 ETOT(band)= 0.004328 trlgG= -0.014899 logG= -0.016137 TDE= -0.135480 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009428 tlogG= -0.006437 logG= -0.015865 Density= 0.137735 ETOT(band)= 0.001066 trlgG= -0.017705 logG= -0.015865 TDE= -0.133985 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009547 tlogG= -0.006272 logG= -0.015819 Density= 0.140318 ETOT(band)= 0.003409 trlgG= -0.015244 logG= -0.015819 TDE= -0.134049 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004774 tlogG= -0.003053 logG= -0.007827 Density= 0.067612 ETOT(band)= -0.001210 trlgG= -0.010473 logG= -0.007827 TDE= -0.067514 logGD-logG0= -0.009368 tlogG= -0.007274 logG= -0.016642 Density= 0.137443 ETOT(band)= 0.001181 trlgG= -0.018048 logG= -0.016642 TDE= -0.133271 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009539 tlogG= -0.005547 logG= -0.015086 Density= 0.133712 ETOT(band)= -0.003137 trlgG= -0.021040 logG= -0.015086 TDE= -0.134240 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009509 tlogG= -0.005851 logG= -0.015360 logGD-logG0= -0.009403 tlogG= -0.007237 logG= -0.016641 Density= 0.138124 ETOT(band)= 0.001074 trlgG= -0.017240 logG= -0.015360 TDE= -0.134399 Density= 0.137002 ETOT(band)= 0.000283 trlgG= -0.019105 logG= -0.016641 TDE= -0.133908 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009463 tlogG= -0.006537 logG= -0.016000 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137919 ETOT(band)= 0.000835 trlgG= -0.018161 logG= -0.016000 TDE= -0.134483 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009451 tlogG= -0.006753 logG= -0.016204 Density= 0.138550 ETOT(band)= 0.001759 trlgG= -0.017188 logG= -0.016204 TDE= -0.133912 logGD-logG0= -0.009397 tlogG= -0.006729 logG= -0.016126 Density= 0.139109 ETOT(band)= 0.003038 trlgG= -0.015709 logG= -0.016126 TDE= -0.133047 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009525 tlogG= -0.006053 logG= -0.015578 Density= 0.138712 ETOT(band)= 0.001630 trlgG= -0.016826 logG= -0.015578 TDE= -0.134331 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004789 tlogG= -0.002529 logG= -0.007318 Density= 0.065346 ETOT(band)= -0.002712 trlgG= -0.011316 logG= -0.007318 TDE= -0.066693 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009613 tlogG= -0.006490 logG= -0.016103 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.143520 ETOT(band)= 0.006799 trlgG= -0.012228 logG= -0.016103 TDE= -0.133821 logGD-logG0= -0.009491 tlogG= -0.005530 logG= -0.015021 Density= 0.136839 ETOT(band)= 0.000326 trlgG= -0.017644 logG= -0.015021 TDE= -0.133910 logGD-logG0= -0.009448 tlogG= -0.006767 logG= -0.016215 Density= 0.137590 ETOT(band)= 0.000360 trlgG= -0.018832 logG= -0.016215 TDE= -0.134624 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009555 tlogG= -0.005929 logG= -0.015483 Density= 0.135890 ETOT(band)= -0.001419 trlgG= -0.019788 logG= -0.015483 TDE= -0.134680 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009763 tlogG= -0.006427 logG= -0.016190 Density= 0.143006 ETOT(band)= 0.004293 trlgG= -0.015087 logG= -0.016190 TDE= -0.136100 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019480 tlogG= -0.012593 logG= -0.032073 Density= 0.285068 ETOT(band)= 0.008214 trlgG= -0.030147 logG= -0.032073 TDE= -0.271574 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018991 tlogG= -0.011788 logG= -0.030779 Density= 0.277997 ETOT(band)= 0.004113 trlgG= -0.032671 logG= -0.030779 TDE= -0.268608 logGD-logG0= -0.019007 tlogG= -0.011938 logG= -0.030945 Density= 0.278350 ETOT(band)= 0.004166 trlgG= -0.032827 logG= -0.030945 TDE= -0.268936 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018886 tlogG= -0.013530 logG= -0.032417 Density= 0.275348 ETOT(band)= 0.001345 trlgG= -0.036894 logG= -0.032417 TDE= -0.268652 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004867 tlogG= -0.003519 logG= -0.008386 logGD-logG0= -0.019113 tlogG= -0.011281 logG= -0.030394 logGD-logG0= -0.019098 tlogG= -0.010671 logG= -0.029769 Density= 0.271331 ETOT(band)= -0.002154 trlgG= -0.037753 logG= -0.029769 TDE= -0.268305 Density= 0.074736 ETOT(band)= 0.004996 trlgG= -0.005041 logG= -0.008386 TDE= -0.068359 Density= 0.275458 ETOT(band)= 0.001297 trlgG= -0.034906 logG= -0.030394 TDE= -0.268793 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019198 tlogG= -0.009998 logG= -0.029196 Density= 0.263876 ETOT(band)= -0.008508 trlgG= -0.043217 logG= -0.029196 TDE= -0.267189 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019239 tlogG= -0.011889 logG= -0.031128 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.281467 ETOT(band)= 0.006916 trlgG= -0.030237 logG= -0.031128 TDE= -0.269154 logGD-logG0= -0.000387 tlogG= 0.008630 logG= 0.008243 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.005722 ETOT(band)= 0.000068 trlgG= 0.008207 logG= 0.008243 TDE= -0.005527 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.018818 tlogG= -0.013577 logG= -0.032394 Density= 0.276003 ETOT(band)= 0.003161 trlgG= -0.034663 logG= -0.032394 TDE= -0.267071 logGD-logG0= -0.018921 tlogG= -0.012172 logG= -0.031093 Density= 0.278994 ETOT(band)= 0.006547 trlgG= -0.030176 logG= -0.031093 TDE= -0.266756 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009563 tlogG= -0.005361 logG= -0.014925 Density= 0.132971 ETOT(band)= -0.003834 trlgG= -0.021510 logG= -0.014925 TDE= -0.134160 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018989 tlogG= -0.012090 logG= -0.031079 Density= 0.278168 ETOT(band)= 0.004573 trlgG= -0.032350 logG= -0.031079 TDE= -0.268151 logGD-logG0= -0.018917 tlogG= -0.011467 logG= -0.030384 Density= 0.276537 ETOT(band)= 0.003971 trlgG= -0.032222 logG= -0.030384 TDE= -0.267153 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009784 tlogG= -0.005880 logG= -0.015664 Density= 0.143859 ETOT(band)= 0.006286 trlgG= -0.012443 logG= -0.015664 TDE= -0.134800 logGD-logG0= -0.019204 tlogG= -0.010285 logG= -0.029489 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.277955 ETOT(band)= 0.004508 trlgG= -0.030863 logG= -0.029489 TDE= -0.268050 logGD-logG0= -0.009630 tlogG= -0.004801 logG= -0.014431 Density= 0.130902 ETOT(band)= -0.005273 trlgG= -0.022434 logG= -0.014431 TDE= -0.133592 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019142 tlogG= -0.010364 logG= -0.029507 Density= 0.274345 ETOT(band)= 0.001887 trlgG= -0.033386 logG= -0.029507 TDE= -0.267091 logGD-logG0= -0.019529 tlogG= -0.012571 logG= -0.032099 Density= 0.289488 ETOT(band)= 0.014777 trlgG= -0.023472 logG= -0.032099 TDE= -0.269113 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009626 tlogG= -0.005113 logG= -0.014739 Density= 0.139898 ETOT(band)= 0.002877 trlgG= -0.014861 logG= -0.014739 TDE= -0.134344 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019343 tlogG= -0.011735 logG= -0.031078 logGD-logG0= -0.019282 tlogG= -0.010970 logG= -0.030252 Density= 0.280269 ETOT(band)= 0.004456 trlgG= -0.032743 logG= -0.031078 TDE= -0.270560 Density= 0.278034 ETOT(band)= 0.003608 trlgG= -0.032578 logG= -0.030252 TDE= -0.269076 logGD-logG0= -0.019135 tlogG= -0.011504 logG= -0.030639 Density= 0.270155 ETOT(band)= -0.004501 trlgG= -0.040919 logG= -0.030639 TDE= -0.269472 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019183 tlogG= -0.010427 logG= -0.029610 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.272238 ETOT(band)= -0.001856 trlgG= -0.037139 logG= -0.029610 TDE= -0.268719 logGD-logG0= -0.019236 tlogG= -0.009903 logG= -0.029139 Density= 0.266861 ETOT(band)= -0.006399 trlgG= -0.041106 logG= -0.029139 TDE= -0.267999 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009587 tlogG= -0.005185 logG= -0.014771 Density= 0.136890 ETOT(band)= -0.000102 trlgG= -0.017664 logG= -0.014771 TDE= -0.134228 logGD-logG0= -0.009567 tlogG= -0.005048 logG= -0.014614 Density= 0.136468 ETOT(band)= -0.000400 trlgG= -0.017715 logG= -0.014614 TDE= -0.134031 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009577 tlogG= -0.005403 logG= -0.014980 Density= 0.135893 ETOT(band)= -0.001260 trlgG= -0.018973 logG= -0.014980 TDE= -0.134371 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004792 tlogG= -0.002611 logG= -0.007403 Density= 0.068653 ETOT(band)= 0.000097 trlgG= -0.008750 logG= -0.007403 TDE= -0.067215 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002436 tlogG= -0.001842 logG= -0.004278 Density= 0.036940 ETOT(band)= 0.002589 trlgG= -0.002481 logG= -0.004278 TDE= -0.033644 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002333 tlogG= -0.002323 logG= -0.004656 Density= 0.034906 ETOT(band)= 0.000962 trlgG= -0.004337 logG= -0.004656 TDE= -0.033170 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009324 tlogG= -0.008729 logG= -0.018053 Density= 0.139537 ETOT(band)= 0.003786 trlgG= -0.016717 logG= -0.018053 TDE= -0.132539 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009421 tlogG= -0.007317 logG= -0.016738 Density= 0.137684 ETOT(band)= 0.001735 trlgG= -0.017548 logG= -0.016738 TDE= -0.132908 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009375 tlogG= -0.007664 logG= -0.017038 Density= 0.138692 ETOT(band)= 0.002990 trlgG= -0.016443 logG= -0.017038 TDE= -0.132468 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009437 tlogG= -0.007243 logG= -0.016680 Density= 0.141072 ETOT(band)= 0.005314 trlgG= -0.014049 logG= -0.016680 TDE= -0.132716 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002379 tlogG= -0.001949 logG= -0.004328 Density= 0.035817 ETOT(band)= 0.001779 trlgG= -0.003217 logG= -0.004328 TDE= -0.033252 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009356 tlogG= -0.007893 logG= -0.017250 logGD-logG0= -0.009664 tlogG= -0.007099 logG= -0.016764 Density= 0.138953 ETOT(band)= 0.003364 trlgG= -0.016329 logG= -0.017250 TDE= -0.132394 Density= 0.144908 ETOT(band)= 0.008422 trlgG= -0.011171 logG= -0.016764 TDE= -0.133435 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009386 tlogG= -0.008347 logG= -0.017733 logGD-logG0= -0.004678 tlogG= -0.003981 logG= -0.008659 Density= 0.069989 ETOT(band)= 0.002189 trlgG= -0.007720 logG= -0.008659 TDE= -0.066209 Density= 0.140952 ETOT(band)= 0.005127 trlgG= -0.015193 logG= -0.017733 TDE= -0.132693 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009426 tlogG= -0.006798 logG= -0.016224 Density= 0.139445 ETOT(band)= 0.004007 trlgG= -0.014816 logG= -0.016224 TDE= -0.132378 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009477 tlogG= -0.006266 logG= -0.015743 Density= 0.137489 ETOT(band)= 0.001735 trlgG= -0.016839 logG= -0.015743 TDE= -0.133006 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009593 tlogG= -0.005238 logG= -0.014831 Density= 0.133718 ETOT(band)= -0.001958 trlgG= -0.019577 logG= -0.014831 TDE= -0.133038 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004771 tlogG= -0.002781 logG= -0.007552 Density= 0.068362 ETOT(band)= 0.000739 trlgG= -0.008199 logG= -0.007552 TDE= -0.066234 logGD-logG0= -0.018754 tlogG= -0.015592 logG= -0.034346 Density= 0.280597 ETOT(band)= 0.009262 trlgG= -0.030121 logG= -0.034346 TDE= -0.264985 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009480 tlogG= -0.007446 logG= -0.016925 Density= 0.142537 ETOT(band)= 0.006592 trlgG= -0.013017 logG= -0.016925 TDE= -0.132845 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019086 tlogG= -0.013069 logG= -0.032155 Density= 0.284785 ETOT(band)= 0.012787 trlgG= -0.025096 logG= -0.032155 TDE= -0.266169 logGD-logG0= -0.009322 tlogG= -0.008960 logG= -0.018282 logGD-logG0= -0.009618 tlogG= -0.004938 logG= -0.014556 Density= 0.139727 ETOT(band)= 0.003972 trlgG= -0.016827 logG= -0.018282 TDE= -0.132602 Density= 0.130711 ETOT(band)= -0.004752 trlgG= -0.022021 logG= -0.014556 TDE= -0.132873 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009793 tlogG= -0.006621 logG= -0.016414 Density= 0.145740 ETOT(band)= 0.008836 trlgG= -0.010718 logG= -0.016414 TDE= -0.134130 logGD-logG0= -0.018864 tlogG= -0.013804 logG= -0.032669 Density= 0.277765 ETOT(band)= 0.006427 trlgG= -0.031350 logG= -0.032669 TDE= -0.265174 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009648 tlogG= -0.005610 logG= -0.015258 Density= 0.141367 ETOT(band)= 0.005307 trlgG= -0.012977 logG= -0.015258 TDE= -0.133349 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019035 tlogG= -0.011531 logG= -0.030566 Density= 0.276952 ETOT(band)= 0.005882 trlgG= -0.030361 logG= -0.030566 TDE= -0.265508 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009461 tlogG= -0.006584 logG= -0.016044 Density= 0.140882 ETOT(band)= 0.005373 trlgG= -0.013462 logG= -0.016044 TDE= -0.132583 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003108 tlogG= 0.069453 logG= 0.066345 Density= 0.046246 ETOT(band)= 0.000990 trlgG= 0.066512 logG= 0.066345 TDE= -0.044203 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002324 tlogG= 0.051896 logG= 0.049571 Density= 0.034485 ETOT(band)= 0.000552 trlgG= 0.049493 logG= 0.049571 TDE= -0.033163 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003128 tlogG= 0.069851 logG= 0.066723 Density= 0.046318 ETOT(band)= 0.001091 trlgG= 0.067006 logG= 0.066723 TDE= -0.044155 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009320 tlogG= 0.208375 logG= 0.199055 Density= 0.138709 ETOT(band)= 0.003002 trlgG= 0.199504 logG= 0.199055 TDE= -0.132631 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004652 tlogG= 0.104005 logG= 0.099353 Density= 0.069211 ETOT(band)= 0.001335 trlgG= 0.099438 logG= 0.099353 TDE= -0.066318 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003098 tlogG= 0.069169 logG= 0.066070 Density= 0.045896 ETOT(band)= 0.000669 trlgG= 0.065890 logG= 0.066070 TDE= -0.044213 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009356 tlogG= 0.209076 logG= 0.199720 Density= 0.139209 ETOT(band)= 0.003526 trlgG= 0.200729 logG= 0.199720 TDE= -0.132551 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.53115277329354 eV TrLogG= -13.7568479177756 eV Ratio to renormalize= 0.999999999720 rho-rho_expected= 0.000000004477 nargs= 1 argi=dmft2.def 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 28) Finished k-point number 29 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 44) Finished k-point number 45 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 57) Finished k-point number 58 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 61) Finished k-point number 62 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 60) Finished k-point number 61 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 84) Finished k-point number 85 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 75) Finished k-point number 76 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 77) Finished k-point number 78 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931387585164040 0.927972139239735 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 47) Finished k-point number 48 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 33) Finished k-point number 34 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 32) Finished k-point number 33 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 39) Finished k-point number 40 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 40) Finished k-point number 41 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 52) Finished k-point number 53 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 62) Finished k-point number 63 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0535771549168 Density= 16.0001550120613 16.0000000000000 EF 12.7814633228033 Density= 15.3560854856764 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95942031 0.93942031 0.155012E-03 -0.643915 1 0.95941550 0.93942031 0.223745E-04 -0.643915 2 0.95941468 0.95941550 -0.143315E-09 0.223745E-04 3 0.95941468 0.95941468 0.261234E-08 -0.143315E-09 4 0.95941468 0.95941468 0.261234E-08 -0.143315E-09 Absolute convergence of the X interval. Difference in EF= -0.0000765372 EF set to : 13.0535006177 new EF (no-mixing): 13.0535006177 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001208 tlogG= -0.001233 logG= -0.002441 Density= 0.018985 ETOT(band)= 0.001243 trlgG= -0.001607 logG= -0.002441 TDE= -0.017380 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002408 tlogG= -0.002373 logG= -0.004781 Density= 0.037918 ETOT(band)= 0.002578 trlgG= -0.003024 logG= -0.004781 TDE= -0.034622 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009640 tlogG= -0.009406 logG= -0.019046 Density= 0.151774 ETOT(band)= 0.010194 trlgG= -0.012123 logG= -0.019046 TDE= -0.138691 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004816 tlogG= -0.004556 logG= -0.009372 Density= 0.075860 ETOT(band)= 0.005176 trlgG= -0.005833 logG= -0.009372 TDE= -0.069242 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002413 tlogG= -0.002049 logG= -0.004462 Density= 0.037433 ETOT(band)= 0.002577 trlgG= -0.002750 logG= -0.004462 TDE= -0.034201 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009667 tlogG= -0.007942 logG= -0.017609 Density= 0.150558 ETOT(band)= 0.010495 trlgG= -0.010498 logG= -0.017609 TDE= -0.137336 logGD-logG0= -0.009692 tlogG= -0.006574 logG= -0.016266 Density= 0.143691 ETOT(band)= 0.004821 trlgG= -0.014649 logG= -0.016266 TDE= -0.136243 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001576 tlogG= -0.001301 logG= -0.002877 Density= 0.022795 ETOT(band)= -0.000149 trlgG= -0.003475 logG= -0.002877 TDE= -0.022468 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004836 tlogG= -0.004134 logG= -0.008970 Density= 0.075499 ETOT(band)= 0.005190 trlgG= -0.005480 logG= -0.008970 TDE= -0.068946 logGD-logG0= -0.009671 tlogG= -0.008549 logG= -0.018219 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.150789 ETOT(band)= 0.010607 trlgG= -0.011015 logG= -0.018219 TDE= -0.137466 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019332 tlogG= -0.015662 logG= -0.034995 Density= 0.301287 ETOT(band)= 0.020930 trlgG= -0.020837 logG= -0.034995 TDE= -0.274901 logGD-logG0= -0.009643 tlogG= -0.007684 logG= -0.017326 Density= 0.149872 ETOT(band)= 0.010857 trlgG= -0.009815 logG= -0.017326 TDE= -0.136277 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009681 tlogG= -0.008681 logG= -0.018362 Density= 0.151268 ETOT(band)= 0.010630 trlgG= -0.011094 logG= -0.018362 TDE= -0.137862 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019313 tlogG= -0.014544 logG= -0.033857 Density= 0.299084 ETOT(band)= 0.020799 trlgG= -0.019622 logG= -0.033857 TDE= -0.272710 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009684 tlogG= -0.006524 logG= -0.016207 Density= 0.147108 ETOT(band)= 0.008284 trlgG= -0.011192 logG= -0.016207 TDE= -0.136123 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003145 tlogG= -0.002497 logG= -0.005642 Density= 0.045415 ETOT(band)= -0.000297 trlgG= -0.006879 logG= -0.005642 TDE= -0.044808 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003099 tlogG= -0.002572 logG= -0.005671 Density= 0.045921 ETOT(band)= 0.000619 trlgG= -0.005839 logG= -0.005671 TDE= -0.044225 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003127 tlogG= -0.002523 logG= -0.005650 Density= 0.045649 ETOT(band)= 0.000112 trlgG= -0.006403 logG= -0.005650 TDE= -0.044550 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009447 tlogG= -0.007365 logG= -0.016813 logGD-logG0= -0.009440 tlogG= -0.007279 logG= -0.016719 Density= 0.136856 ETOT(band)= -0.000571 trlgG= -0.020232 logG= -0.016813 TDE= -0.134721 Density= 0.136726 ETOT(band)= -0.000516 trlgG= -0.020099 logG= -0.016719 TDE= -0.134557 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009425 tlogG= -0.007204 logG= -0.016629 Density= 0.136770 ETOT(band)= -0.000125 trlgG= -0.019588 logG= -0.016629 TDE= -0.134178 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009455 tlogG= -0.006568 logG= -0.016023 Density= 0.137972 ETOT(band)= 0.000807 trlgG= -0.018178 logG= -0.016023 TDE= -0.134527 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009686 tlogG= -0.007447 logG= -0.017133 Density= 0.148838 ETOT(band)= 0.010647 trlgG= -0.009807 logG= -0.017133 TDE= -0.135471 logGD-logG0= -0.009368 tlogG= -0.007273 logG= -0.016641 Density= 0.137443 ETOT(band)= 0.001180 trlgG= -0.018047 logG= -0.016641 TDE= -0.133271 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009712 tlogG= -0.006423 logG= -0.016135 Density= 0.142486 ETOT(band)= 0.004313 trlgG= -0.014911 logG= -0.016135 TDE= -0.135480 logGD-logG0= -0.009749 tlogG= -0.007034 logG= -0.016782 Density= 0.147466 ETOT(band)= 0.009003 trlgG= -0.011077 logG= -0.016782 TDE= -0.135776 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009464 tlogG= -0.006535 logG= -0.015999 Density= 0.137919 ETOT(band)= 0.000835 trlgG= -0.018160 logG= -0.015999 TDE= -0.134483 logGD-logG0= -0.009404 tlogG= -0.007235 logG= -0.016638 Density= 0.137002 ETOT(band)= 0.000283 trlgG= -0.019103 logG= -0.016638 TDE= -0.133907 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009547 tlogG= -0.006272 logG= -0.015820 Density= 0.140319 ETOT(band)= 0.003410 trlgG= -0.015244 logG= -0.015820 TDE= -0.134049 logGD-logG0= -0.009509 tlogG= -0.005852 logG= -0.015361 Density= 0.138124 ETOT(band)= 0.001075 trlgG= -0.017242 logG= -0.015361 TDE= -0.134399 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009539 tlogG= -0.005539 logG= -0.015078 Density= 0.133708 ETOT(band)= -0.003141 trlgG= -0.021036 logG= -0.015078 TDE= -0.134240 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009428 tlogG= -0.006440 logG= -0.015868 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137735 ETOT(band)= 0.001066 trlgG= -0.017708 logG= -0.015868 TDE= -0.133985 logGD-logG0= -0.009555 tlogG= -0.005928 logG= -0.015482 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.135887 ETOT(band)= -0.001422 trlgG= -0.019790 logG= -0.015482 TDE= -0.134680 logGD-logG0= -0.009525 tlogG= -0.006051 logG= -0.015576 Density= 0.138711 ETOT(band)= 0.001629 trlgG= -0.016826 logG= -0.015576 TDE= -0.134331 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009450 tlogG= -0.006750 logG= -0.016201 Density= 0.138550 ETOT(band)= 0.001758 trlgG= -0.017185 logG= -0.016201 TDE= -0.133912 logGD-logG0= -0.009613 tlogG= -0.006489 logG= -0.016102 Density= 0.143519 ETOT(band)= 0.006797 trlgG= -0.012229 logG= -0.016102 TDE= -0.133821 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004789 tlogG= -0.002532 logG= -0.007320 Density= 0.065357 ETOT(band)= -0.002701 trlgG= -0.011309 logG= -0.007320 TDE= -0.066693 logGD-logG0= -0.004774 tlogG= -0.003052 logG= -0.007826 Density= 0.067609 ETOT(band)= -0.001214 trlgG= -0.010475 logG= -0.007826 TDE= -0.067514 logGD-logG0= -0.009397 tlogG= -0.006731 logG= -0.016128 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.139108 ETOT(band)= 0.003037 trlgG= -0.015712 logG= -0.016128 TDE= -0.133047 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009490 tlogG= -0.005529 logG= -0.015019 Density= 0.136835 ETOT(band)= 0.000320 trlgG= -0.017647 logG= -0.015019 TDE= -0.133909 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009448 tlogG= -0.006763 logG= -0.016212 Density= 0.137590 ETOT(band)= 0.000359 trlgG= -0.018830 logG= -0.016212 TDE= -0.134624 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009763 tlogG= -0.006426 logG= -0.016189 logGD-logG0= -0.019479 tlogG= -0.012595 logG= -0.032074 Density= 0.285055 ETOT(band)= 0.008199 trlgG= -0.030161 logG= -0.032074 TDE= -0.271573 Density= 0.143010 ETOT(band)= 0.004297 trlgG= -0.015083 logG= -0.016189 TDE= -0.136100 logGD-logG0= -0.019008 tlogG= -0.011940 logG= -0.030948 Density= 0.278353 ETOT(band)= 0.004168 trlgG= -0.032828 logG= -0.030948 TDE= -0.268935 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018887 tlogG= -0.013530 logG= -0.032417 Density= 0.275347 ETOT(band)= 0.001343 trlgG= -0.036897 logG= -0.032417 TDE= -0.268652 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019096 tlogG= -0.010668 logG= -0.029765 Density= 0.271327 ETOT(band)= -0.002159 trlgG= -0.037753 logG= -0.029765 TDE= -0.268304 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018989 tlogG= -0.012088 logG= -0.031076 Density= 0.278168 ETOT(band)= 0.004571 trlgG= -0.032349 logG= -0.031076 TDE= -0.268151 logGD-logG0= -0.018989 tlogG= -0.011788 logG= -0.030777 Density= 0.277988 ETOT(band)= 0.004102 trlgG= -0.032678 logG= -0.030777 TDE= -0.268608 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019239 tlogG= -0.011890 logG= -0.031129 Density= 0.281466 ETOT(band)= 0.006914 trlgG= -0.030241 logG= -0.031129 TDE= -0.269154 logGD-logG0= -0.019198 tlogG= -0.010001 logG= -0.029200 Density= 0.263882 ETOT(band)= -0.008502 trlgG= -0.043215 logG= -0.029200 TDE= -0.267188 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000387 tlogG= 0.008630 logG= 0.008243 logGD-logG0= -0.019113 tlogG= -0.011282 logG= -0.030394 Density= 0.275457 ETOT(band)= 0.001295 trlgG= -0.034909 logG= -0.030394 TDE= -0.268792 Density= 0.005722 ETOT(band)= 0.000068 trlgG= 0.008207 logG= 0.008243 TDE= -0.005527 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018921 tlogG= -0.012178 logG= -0.031099 Density= 0.278991 ETOT(band)= 0.006542 trlgG= -0.030186 logG= -0.031099 TDE= -0.266755 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.004867 tlogG= -0.003519 logG= -0.008385 logGD-logG0= -0.018817 tlogG= -0.013581 logG= -0.032398 Density= 0.074736 ETOT(band)= 0.004996 trlgG= -0.005041 logG= -0.008385 TDE= -0.068359 Density= 0.276004 ETOT(band)= 0.003160 trlgG= -0.034667 logG= -0.032398 TDE= -0.267071 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018916 tlogG= -0.011453 logG= -0.030369 Density= 0.276540 ETOT(band)= 0.003973 trlgG= -0.032204 logG= -0.030369 TDE= -0.267152 logGD-logG0= -0.009630 tlogG= -0.004800 logG= -0.014430 Density= 0.130903 ETOT(band)= -0.005273 trlgG= -0.022432 logG= -0.014430 TDE= -0.133592 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019142 tlogG= -0.010364 logG= -0.029506 Density= 0.274370 ETOT(band)= 0.001911 trlgG= -0.033362 logG= -0.029506 TDE= -0.267091 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019203 tlogG= -0.010285 logG= -0.029488 logGD-logG0= -0.009566 tlogG= -0.005367 logG= -0.014933 Density= 0.132978 ETOT(band)= -0.003825 trlgG= -0.021512 logG= -0.014933 TDE= -0.134160 Density= 0.277952 ETOT(band)= 0.004503 trlgG= -0.030866 logG= -0.029488 TDE= -0.268049 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019137 tlogG= -0.011507 logG= -0.030644 Density= 0.270156 ETOT(band)= -0.004501 trlgG= -0.040925 logG= -0.030644 TDE= -0.269472 logGD-logG0= -0.019529 tlogG= -0.012569 logG= -0.032098 Density= 0.289494 ETOT(band)= 0.014783 trlgG= -0.023466 logG= -0.032098 TDE= -0.269113 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019344 tlogG= -0.011737 logG= -0.031081 Density= 0.280272 ETOT(band)= 0.004459 trlgG= -0.032743 logG= -0.031081 TDE= -0.270559 logGD-logG0= -0.009626 tlogG= -0.005113 logG= -0.014739 Density= 0.139902 ETOT(band)= 0.002880 trlgG= -0.014859 logG= -0.014739 TDE= -0.134343 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019282 tlogG= -0.010970 logG= -0.030252 Density= 0.278042 ETOT(band)= 0.003616 trlgG= -0.032571 logG= -0.030252 TDE= -0.269076 logGD-logG0= -0.019184 tlogG= -0.010432 logG= -0.029616 logGD-logG0= -0.019235 tlogG= -0.009907 logG= -0.029142 Density= 0.272241 ETOT(band)= -0.001854 trlgG= -0.037142 logG= -0.029616 TDE= -0.268719 Density= 0.266881 ETOT(band)= -0.006380 trlgG= -0.041091 logG= -0.029142 TDE= -0.267998 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009784 tlogG= -0.005880 logG= -0.015664 Density= 0.143857 ETOT(band)= 0.006284 trlgG= -0.012445 logG= -0.015664 TDE= -0.134800 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009577 tlogG= -0.005403 logG= -0.014981 Density= 0.135890 ETOT(band)= -0.001262 trlgG= -0.018977 logG= -0.014981 TDE= -0.134371 logGD-logG0= -0.009568 tlogG= -0.005049 logG= -0.014617 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136466 ETOT(band)= -0.000401 trlgG= -0.017720 logG= -0.014617 TDE= -0.134030 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009587 tlogG= -0.005184 logG= -0.014771 Density= 0.136889 ETOT(band)= -0.000103 trlgG= -0.017665 logG= -0.014771 TDE= -0.134228 logGD-logG0= -0.004792 tlogG= -0.002611 logG= -0.007402 Density= 0.068653 ETOT(band)= 0.000096 trlgG= -0.008751 logG= -0.007402 TDE= -0.067215 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002436 tlogG= -0.001842 logG= -0.004278 Density= 0.036940 ETOT(band)= 0.002588 trlgG= -0.002481 logG= -0.004278 TDE= -0.033644 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002333 tlogG= -0.002323 logG= -0.004656 Density= 0.034906 ETOT(band)= 0.000962 trlgG= -0.004337 logG= -0.004656 TDE= -0.033170 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009420 tlogG= -0.007318 logG= -0.016738 Density= 0.137684 ETOT(band)= 0.001734 trlgG= -0.017549 logG= -0.016738 TDE= -0.132908 logGD-logG0= -0.009375 tlogG= -0.007665 logG= -0.017040 Density= 0.138691 ETOT(band)= 0.002989 trlgG= -0.016445 logG= -0.017040 TDE= -0.132468 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009665 tlogG= -0.007099 logG= -0.016764 Density= 0.144907 ETOT(band)= 0.008421 trlgG= -0.011172 logG= -0.016764 TDE= -0.133435 logGD-logG0= -0.004679 tlogG= -0.003978 logG= -0.008657 Density= 0.069991 ETOT(band)= 0.002191 trlgG= -0.007716 logG= -0.008657 TDE= -0.066209 logGD-logG0= -0.009386 tlogG= -0.008347 logG= -0.017733 Density= 0.140952 ETOT(band)= 0.005126 trlgG= -0.015194 logG= -0.017733 TDE= -0.132692 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009437 tlogG= -0.007243 logG= -0.016680 Density= 0.141071 ETOT(band)= 0.005313 trlgG= -0.014050 logG= -0.016680 TDE= -0.132716 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009324 tlogG= -0.008729 logG= -0.018053 logGD-logG0= -0.002379 tlogG= -0.001949 logG= -0.004328 Density= 0.035817 ETOT(band)= 0.001779 trlgG= -0.003217 logG= -0.004328 TDE= -0.033252 Density= 0.139537 ETOT(band)= 0.003785 trlgG= -0.016718 logG= -0.018053 TDE= -0.132539 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009594 tlogG= -0.005238 logG= -0.014832 Density= 0.133714 ETOT(band)= -0.001962 trlgG= -0.019583 logG= -0.014832 TDE= -0.133037 logGD-logG0= -0.009427 tlogG= -0.006800 logG= -0.016228 Density= 0.139445 ETOT(band)= 0.004007 trlgG= -0.014820 logG= -0.016228 TDE= -0.132378 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009355 tlogG= -0.007892 logG= -0.017247 Density= 0.138953 ETOT(band)= 0.003363 trlgG= -0.016327 logG= -0.017247 TDE= -0.132394 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009477 tlogG= -0.006265 logG= -0.015742 Density= 0.137489 ETOT(band)= 0.001735 trlgG= -0.016839 logG= -0.015742 TDE= -0.133005 logGD-logG0= -0.018754 tlogG= -0.015592 logG= -0.034346 Density= 0.280597 ETOT(band)= 0.009261 trlgG= -0.030122 logG= -0.034346 TDE= -0.264985 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004771 tlogG= -0.002781 logG= -0.007552 Density= 0.068360 ETOT(band)= 0.000737 trlgG= -0.008201 logG= -0.007552 TDE= -0.066234 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009323 tlogG= -0.008960 logG= -0.018282 Density= 0.139727 ETOT(band)= 0.003971 trlgG= -0.016828 logG= -0.018282 TDE= -0.132602 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009618 tlogG= -0.004940 logG= -0.014558 logGD-logG0= -0.019087 tlogG= -0.013067 logG= -0.032154 Density= 0.284788 ETOT(band)= 0.012790 trlgG= -0.025093 logG= -0.032154 TDE= -0.266168 Density= 0.130713 ETOT(band)= -0.004750 trlgG= -0.022022 logG= -0.014558 TDE= -0.132872 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009793 tlogG= -0.006621 logG= -0.016414 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.145740 ETOT(band)= 0.008835 trlgG= -0.010719 logG= -0.016414 TDE= -0.134130 logGD-logG0= -0.009480 tlogG= -0.007446 logG= -0.016925 Density= 0.142537 ETOT(band)= 0.006591 trlgG= -0.013018 logG= -0.016925 TDE= -0.132845 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009648 tlogG= -0.005610 logG= -0.015258 Density= 0.141366 ETOT(band)= 0.005305 trlgG= -0.012978 logG= -0.015258 TDE= -0.133349 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018864 tlogG= -0.013799 logG= -0.032663 Density= 0.277766 ETOT(band)= 0.006427 trlgG= -0.031344 logG= -0.032663 TDE= -0.265174 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019032 tlogG= -0.011524 logG= -0.030556 Density= 0.276928 ETOT(band)= 0.005855 trlgG= -0.030375 logG= -0.030556 TDE= -0.265507 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009461 tlogG= -0.006583 logG= -0.016044 Density= 0.140882 ETOT(band)= 0.005373 trlgG= -0.013462 logG= -0.016044 TDE= -0.132582 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003098 tlogG= 0.069168 logG= 0.066070 Density= 0.045896 ETOT(band)= 0.000669 trlgG= 0.065890 logG= 0.066070 TDE= -0.044213 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003127 tlogG= 0.069851 logG= 0.066723 Density= 0.046318 ETOT(band)= 0.001091 trlgG= 0.067006 logG= 0.066723 TDE= -0.044155 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003109 tlogG= 0.069452 logG= 0.066344 Density= 0.046246 ETOT(band)= 0.000990 trlgG= 0.066510 logG= 0.066344 TDE= -0.044203 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002324 tlogG= 0.051895 logG= 0.049571 Density= 0.034485 ETOT(band)= 0.000552 trlgG= 0.049493 logG= 0.049571 TDE= -0.033163 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004652 tlogG= 0.104004 logG= 0.099352 Density= 0.069211 ETOT(band)= 0.001335 trlgG= 0.099436 logG= 0.099352 TDE= -0.066318 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009320 tlogG= 0.208374 logG= 0.199054 Density= 0.138709 ETOT(band)= 0.003001 trlgG= 0.199502 logG= 0.199054 TDE= -0.132631 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009356 tlogG= 0.209075 logG= 0.199719 Density= 0.139209 ETOT(band)= 0.003526 trlgG= 0.200727 logG= 0.199719 TDE= -0.132551 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.53041666501889 eV TrLogG= -13.7573994825310 eV Ratio to renormalize= 0.999999999552 rho-rho_expected= 0.000000007176 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 42) Finished k-point number 43 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 57) Finished k-point number 58 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 60) Finished k-point number 61 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 94) Finished k-point number 95 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 85) Finished k-point number 86 1 with #bands= 20 92) Finished k-point number 93 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 102) Finished k-point number 103 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931342822406717 0.927985596850488 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 17) Finished k-point number 18 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 31) Finished k-point number 32 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0535006177349 Density= 16.0005298520772 16.0000000000000 EF 12.7813867856214 Density= 15.3567234591286 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95941468 0.93941469 0.529852E-03 -0.643277 1 0.95939823 0.93941469 0.764434E-04 -0.643277 2 0.95939545 0.95939823 -0.166219E-08 0.764434E-04 3 0.95939545 0.95939545 0.109286E-08 -0.166219E-08 4 0.95939545 0.95939545 -0.166219E-08 0.109286E-08 5 0.95939545 0.95939545 -0.166219E-08 0.109286E-08 Absolute convergence of the X interval. Difference in EF= -0.0002617022 EF set to : 13.0532389156 new EF (no-mixing): 13.0532389156 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001208 tlogG= -0.001233 logG= -0.002441 Density= 0.018986 ETOT(band)= 0.001243 trlgG= -0.001606 logG= -0.002441 TDE= -0.017380 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009640 tlogG= -0.009407 logG= -0.019047 Density= 0.151777 ETOT(band)= 0.010195 trlgG= -0.012122 logG= -0.019047 TDE= -0.138689 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002408 tlogG= -0.002373 logG= -0.004781 Density= 0.037918 ETOT(band)= 0.002578 trlgG= -0.003024 logG= -0.004781 TDE= -0.034621 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004816 tlogG= -0.004556 logG= -0.009372 Density= 0.075861 ETOT(band)= 0.005176 trlgG= -0.005833 logG= -0.009372 TDE= -0.069241 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002413 tlogG= -0.002049 logG= -0.004462 Density= 0.037434 ETOT(band)= 0.002577 trlgG= -0.002750 logG= -0.004462 TDE= -0.034201 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001576 tlogG= -0.001301 logG= -0.002877 Density= 0.022796 ETOT(band)= -0.000149 trlgG= -0.003475 logG= -0.002877 TDE= -0.022468 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009667 tlogG= -0.007943 logG= -0.017609 Density= 0.150561 ETOT(band)= 0.010495 trlgG= -0.010497 logG= -0.017609 TDE= -0.137335 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004836 tlogG= -0.004134 logG= -0.008970 Density= 0.075501 ETOT(band)= 0.005191 trlgG= -0.005480 logG= -0.008970 TDE= -0.068945 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009692 tlogG= -0.006575 logG= -0.016267 Density= 0.143685 ETOT(band)= 0.004813 trlgG= -0.014658 logG= -0.016267 TDE= -0.136242 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009670 tlogG= -0.008548 logG= -0.018219 Density= 0.150792 ETOT(band)= 0.010607 trlgG= -0.011014 logG= -0.018219 TDE= -0.137464 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009681 tlogG= -0.008681 logG= -0.018362 Density= 0.151272 ETOT(band)= 0.010630 trlgG= -0.011093 logG= -0.018362 TDE= -0.137861 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009642 tlogG= -0.007684 logG= -0.017327 Density= 0.149875 ETOT(band)= 0.010859 trlgG= -0.009813 logG= -0.017327 TDE= -0.136276 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019332 tlogG= -0.015661 logG= -0.034993 Density= 0.301294 ETOT(band)= 0.020933 trlgG= -0.020833 logG= -0.034993 TDE= -0.274899 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019313 tlogG= -0.014545 logG= -0.033858 Density= 0.299090 ETOT(band)= 0.020800 trlgG= -0.019621 logG= -0.033858 TDE= -0.272708 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009683 tlogG= -0.006524 logG= -0.016207 Density= 0.147110 ETOT(band)= 0.008284 trlgG= -0.011192 logG= -0.016207 TDE= -0.136122 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003145 tlogG= -0.002496 logG= -0.005641 Density= 0.045415 ETOT(band)= -0.000298 trlgG= -0.006879 logG= -0.005641 TDE= -0.044808 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003099 tlogG= -0.002573 logG= -0.005672 Density= 0.045921 ETOT(band)= 0.000618 trlgG= -0.005841 logG= -0.005672 TDE= -0.044225 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009440 tlogG= -0.007279 logG= -0.016719 Density= 0.136727 ETOT(band)= -0.000518 trlgG= -0.020100 logG= -0.016719 TDE= -0.134557 logGD-logG0= -0.009447 tlogG= -0.007365 logG= -0.016812 Density= 0.136857 ETOT(band)= -0.000573 trlgG= -0.020233 logG= -0.016812 TDE= -0.134721 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003128 tlogG= -0.002523 logG= -0.005650 Density= 0.045650 ETOT(band)= 0.000112 trlgG= -0.006404 logG= -0.005650 TDE= -0.044549 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009456 tlogG= -0.006570 logG= -0.016026 Density= 0.137973 ETOT(band)= 0.000806 trlgG= -0.018182 logG= -0.016026 TDE= -0.134527 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009368 tlogG= -0.007272 logG= -0.016640 Density= 0.137444 ETOT(band)= 0.001179 trlgG= -0.018048 logG= -0.016640 TDE= -0.133270 logGD-logG0= -0.009424 tlogG= -0.007202 logG= -0.016626 Density= 0.136771 ETOT(band)= -0.000128 trlgG= -0.019587 logG= -0.016626 TDE= -0.134178 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009547 tlogG= -0.006272 logG= -0.015819 Density= 0.140318 ETOT(band)= 0.003406 trlgG= -0.015247 logG= -0.015819 TDE= -0.134048 logGD-logG0= -0.009749 tlogG= -0.007034 logG= -0.016783 Density= 0.147463 ETOT(band)= 0.008997 trlgG= -0.011082 logG= -0.016783 TDE= -0.135775 logGD-logG0= -0.009686 tlogG= -0.007447 logG= -0.017133 Density= 0.148842 ETOT(band)= 0.010649 trlgG= -0.009805 logG= -0.017133 TDE= -0.135470 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009404 tlogG= -0.007238 logG= -0.016642 Density= 0.137004 ETOT(band)= 0.000282 trlgG= -0.019108 logG= -0.016642 TDE= -0.133907 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009713 tlogG= -0.006423 logG= -0.016136 Density= 0.142498 ETOT(band)= 0.004322 trlgG= -0.014903 logG= -0.016136 TDE= -0.135479 logGD-logG0= -0.009397 tlogG= -0.006730 logG= -0.016127 logGD-logG0= -0.009427 tlogG= -0.006437 logG= -0.015864 Density= 0.137736 ETOT(band)= 0.001064 trlgG= -0.017705 logG= -0.015864 TDE= -0.133985 logGD-logG0= -0.009463 tlogG= -0.006535 logG= -0.015998 Density= 0.137920 ETOT(band)= 0.000833 trlgG= -0.018161 logG= -0.015998 TDE= -0.134482 Density= 0.139109 ETOT(band)= 0.003035 trlgG= -0.015713 logG= -0.016127 TDE= -0.133046 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009451 tlogG= -0.006754 logG= -0.016205 Density= 0.138551 ETOT(band)= 0.001756 trlgG= -0.017191 logG= -0.016205 TDE= -0.133911 logGD-logG0= -0.004774 tlogG= -0.003052 logG= -0.007826 logGD-logG0= -0.009555 tlogG= -0.005929 logG= -0.015484 Density= 0.067610 ETOT(band)= -0.001214 trlgG= -0.010475 logG= -0.007826 TDE= -0.067513 logGD-logG0= -0.009613 tlogG= -0.006491 logG= -0.016104 Density= 0.135890 ETOT(band)= -0.001422 trlgG= -0.019791 logG= -0.015484 TDE= -0.134679 logGD-logG0= -0.004789 tlogG= -0.002529 logG= -0.007318 Density= 0.143518 ETOT(band)= 0.006794 trlgG= -0.012234 logG= -0.016104 TDE= -0.133820 Density= 0.065342 ETOT(band)= -0.002717 trlgG= -0.011322 logG= -0.007318 TDE= -0.066693 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009509 tlogG= -0.005851 logG= -0.015360 logGD-logG0= -0.009491 tlogG= -0.005529 logG= -0.015020 Density= 0.136840 ETOT(band)= 0.000323 trlgG= -0.017646 logG= -0.015020 TDE= -0.133909 Density= 0.138122 ETOT(band)= 0.001070 trlgG= -0.017245 logG= -0.015360 TDE= -0.134398 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009448 tlogG= -0.006766 logG= -0.016214 Density= 0.137590 ETOT(band)= 0.000356 trlgG= -0.018834 logG= -0.016214 TDE= -0.134623 logGD-logG0= -0.009538 tlogG= -0.005538 logG= -0.015076 Density= 0.133708 ETOT(band)= -0.003144 trlgG= -0.021036 logG= -0.015076 TDE= -0.134239 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009524 tlogG= -0.006051 logG= -0.015576 Density= 0.138711 ETOT(band)= 0.001626 trlgG= -0.016828 logG= -0.015576 TDE= -0.134330 logGD-logG0= -0.019479 tlogG= -0.012592 logG= -0.032071 Density= 0.285062 ETOT(band)= 0.008202 trlgG= -0.030155 logG= -0.032071 TDE= -0.271571 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009763 tlogG= -0.006427 logG= -0.016190 Density= 0.143002 ETOT(band)= 0.004286 trlgG= -0.015094 logG= -0.016190 TDE= -0.136099 logGD-logG0= -0.018989 tlogG= -0.011786 logG= -0.030775 Density= 0.277995 ETOT(band)= 0.004104 trlgG= -0.032674 logG= -0.030775 TDE= -0.268606 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019008 tlogG= -0.011939 logG= -0.030947 Density= 0.278353 ETOT(band)= 0.004164 trlgG= -0.032830 logG= -0.030947 TDE= -0.268934 logGD-logG0= -0.018887 tlogG= -0.013531 logG= -0.032418 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.275349 ETOT(band)= 0.001340 trlgG= -0.036900 logG= -0.032418 TDE= -0.268650 logGD-logG0= -0.019529 tlogG= -0.012570 logG= -0.032099 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.289493 ETOT(band)= 0.014777 trlgG= -0.023472 logG= -0.032099 TDE= -0.269111 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019096 tlogG= -0.010671 logG= -0.029768 Density= 0.271332 ETOT(band)= -0.002160 trlgG= -0.037756 logG= -0.029768 TDE= -0.268303 logGD-logG0= -0.018920 tlogG= -0.012178 logG= -0.031097 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278995 ETOT(band)= 0.006540 trlgG= -0.030185 logG= -0.031097 TDE= -0.266754 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019113 tlogG= -0.011283 logG= -0.030395 Density= 0.275457 ETOT(band)= 0.001289 trlgG= -0.034914 logG= -0.030395 TDE= -0.268791 logGD-logG0= -0.004867 tlogG= -0.003519 logG= -0.008385 Density= 0.074738 ETOT(band)= 0.004996 trlgG= -0.005041 logG= -0.008385 TDE= -0.068358 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019198 tlogG= -0.009997 logG= -0.029195 Density= 0.263866 ETOT(band)= -0.008523 trlgG= -0.043230 logG= -0.029195 TDE= -0.267187 logGD-logG0= -0.019239 tlogG= -0.011892 logG= -0.031131 logGD-logG0= -0.019203 tlogG= -0.010292 logG= -0.029494 Density= 0.281467 ETOT(band)= 0.006911 trlgG= -0.030245 logG= -0.031131 TDE= -0.269152 logGD-logG0= -0.000387 tlogG= 0.008630 logG= 0.008243 Density= 0.005722 ETOT(band)= 0.000068 trlgG= 0.008206 logG= 0.008243 TDE= -0.005527 Density= 0.277981 ETOT(band)= 0.004528 trlgG= -0.030848 logG= -0.029494 TDE= -0.268048 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.018916 tlogG= -0.011466 logG= -0.030383 Density= 0.276536 ETOT(band)= 0.003963 trlgG= -0.032226 logG= -0.030383 TDE= -0.267151 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009630 tlogG= -0.004800 logG= -0.014430 Density= 0.130900 ETOT(band)= -0.005278 trlgG= -0.022437 logG= -0.014430 TDE= -0.133591 logGD-logG0= -0.018989 tlogG= -0.012091 logG= -0.031080 Density= 0.278168 ETOT(band)= 0.004567 trlgG= -0.032356 logG= -0.031080 TDE= -0.268149 logGD-logG0= -0.019136 tlogG= -0.011504 logG= -0.030640 Density= 0.270150 ETOT(band)= -0.004512 trlgG= -0.040930 logG= -0.030640 TDE= -0.269471 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018818 tlogG= -0.013579 logG= -0.032397 Density= 0.276008 ETOT(band)= 0.003161 trlgG= -0.034666 logG= -0.032397 TDE= -0.267070 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009565 tlogG= -0.005366 logG= -0.014931 logGD-logG0= -0.019281 tlogG= -0.010968 logG= -0.030249 Density= 0.278013 ETOT(band)= 0.003583 trlgG= -0.032599 logG= -0.030249 TDE= -0.269074 Density= 0.132975 ETOT(band)= -0.003831 trlgG= -0.021515 logG= -0.014931 TDE= -0.134160 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019183 tlogG= -0.010432 logG= -0.029615 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.272238 ETOT(band)= -0.001862 trlgG= -0.037149 logG= -0.029615 TDE= -0.268717 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019344 tlogG= -0.011736 logG= -0.031080 Density= 0.280266 ETOT(band)= 0.004449 trlgG= -0.032751 logG= -0.031080 TDE= -0.270558 logGD-logG0= -0.009626 tlogG= -0.005114 logG= -0.014740 Density= 0.139899 ETOT(band)= 0.002875 trlgG= -0.014864 logG= -0.014740 TDE= -0.134343 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009784 tlogG= -0.005880 logG= -0.015664 Density= 0.143858 ETOT(band)= 0.006282 trlgG= -0.012447 logG= -0.015664 TDE= -0.134799 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019142 tlogG= -0.010363 logG= -0.029505 Density= 0.274338 ETOT(band)= 0.001874 trlgG= -0.033396 logG= -0.029505 TDE= -0.267089 logGD-logG0= -0.019235 tlogG= -0.009908 logG= -0.029143 Density= 0.266895 ETOT(band)= -0.006372 trlgG= -0.041083 logG= -0.029143 TDE= -0.267997 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009577 tlogG= -0.005404 logG= -0.014981 Density= 0.135891 ETOT(band)= -0.001264 trlgG= -0.018979 logG= -0.014981 TDE= -0.134370 logGD-logG0= -0.009567 tlogG= -0.005047 logG= -0.014614 Density= 0.136462 ETOT(band)= -0.000408 trlgG= -0.017723 logG= -0.014614 TDE= -0.134030 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009587 tlogG= -0.005185 logG= -0.014772 Density= 0.136889 ETOT(band)= -0.000105 trlgG= -0.017668 logG= -0.014772 TDE= -0.134227 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004792 tlogG= -0.002611 logG= -0.007403 Density= 0.068653 ETOT(band)= 0.000095 trlgG= -0.008752 logG= -0.007403 TDE= -0.067214 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002436 tlogG= -0.001842 logG= -0.004278 Density= 0.036940 ETOT(band)= 0.002588 trlgG= -0.002481 logG= -0.004278 TDE= -0.033644 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002333 tlogG= -0.002323 logG= -0.004656 Density= 0.034906 ETOT(band)= 0.000961 trlgG= -0.004337 logG= -0.004656 TDE= -0.033170 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009324 tlogG= -0.008730 logG= -0.018054 Density= 0.139538 ETOT(band)= 0.003783 trlgG= -0.016720 logG= -0.018054 TDE= -0.132538 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002379 tlogG= -0.001949 logG= -0.004328 Density= 0.035817 ETOT(band)= 0.001778 trlgG= -0.003217 logG= -0.004328 TDE= -0.033252 logGD-logG0= -0.009374 tlogG= -0.007664 logG= -0.017038 Density= 0.138692 ETOT(band)= 0.002987 trlgG= -0.016445 logG= -0.017038 TDE= -0.132467 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009386 tlogG= -0.008348 logG= -0.017735 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.140952 ETOT(band)= 0.005124 trlgG= -0.015198 logG= -0.017735 TDE= -0.132692 logGD-logG0= -0.009421 tlogG= -0.007313 logG= -0.016733 Density= 0.137685 ETOT(band)= 0.001734 trlgG= -0.017545 logG= -0.016733 TDE= -0.132907 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009665 tlogG= -0.007098 logG= -0.016763 Density= 0.144909 ETOT(band)= 0.008421 trlgG= -0.011171 logG= -0.016763 TDE= -0.133434 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009436 tlogG= -0.007244 logG= -0.016681 Density= 0.141070 ETOT(band)= 0.005309 trlgG= -0.014054 logG= -0.016681 TDE= -0.132715 logGD-logG0= -0.009355 tlogG= -0.007892 logG= -0.017248 Density= 0.138953 ETOT(band)= 0.003361 trlgG= -0.016330 logG= -0.017248 TDE= -0.132393 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009476 tlogG= -0.006264 logG= -0.015741 Density= 0.137490 ETOT(band)= 0.001733 trlgG= -0.016838 logG= -0.015741 TDE= -0.133005 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009594 tlogG= -0.005238 logG= -0.014831 Density= 0.133716 ETOT(band)= -0.001962 trlgG= -0.019582 logG= -0.014831 TDE= -0.133037 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004679 tlogG= -0.003979 logG= -0.008657 Density= 0.069991 ETOT(band)= 0.002190 trlgG= -0.007717 logG= -0.008657 TDE= -0.066209 logGD-logG0= -0.009427 tlogG= -0.006801 logG= -0.016227 Density= 0.139445 ETOT(band)= 0.004005 trlgG= -0.014821 logG= -0.016227 TDE= -0.132377 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019087 tlogG= -0.013070 logG= -0.032157 Density= 0.284783 ETOT(band)= 0.012781 trlgG= -0.025104 logG= -0.032157 TDE= -0.266167 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004771 tlogG= -0.002781 logG= -0.007552 logGD-logG0= -0.009618 tlogG= -0.004940 logG= -0.014558 Density= 0.130706 ETOT(band)= -0.004760 trlgG= -0.022031 logG= -0.014558 TDE= -0.132872 Density= 0.068359 ETOT(band)= 0.000734 trlgG= -0.008202 logG= -0.007552 TDE= -0.066234 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009323 tlogG= -0.008960 logG= -0.018283 logGD-logG0= -0.018754 tlogG= -0.015592 logG= -0.034346 Density= 0.280597 ETOT(band)= 0.009257 trlgG= -0.030126 logG= -0.034346 TDE= -0.264983 Density= 0.139727 ETOT(band)= 0.003969 trlgG= -0.016830 logG= -0.018283 TDE= -0.132601 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009480 tlogG= -0.007446 logG= -0.016926 Density= 0.142536 ETOT(band)= 0.006588 trlgG= -0.013021 logG= -0.016926 TDE= -0.132844 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009793 tlogG= -0.006621 logG= -0.016414 Density= 0.145741 ETOT(band)= 0.008834 trlgG= -0.010721 logG= -0.016414 TDE= -0.134129 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009648 tlogG= -0.005610 logG= -0.015258 Density= 0.141365 ETOT(band)= 0.005302 trlgG= -0.012981 logG= -0.015258 TDE= -0.133348 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018865 tlogG= -0.013809 logG= -0.032674 Density= 0.277765 ETOT(band)= 0.006421 trlgG= -0.031361 logG= -0.032674 TDE= -0.265173 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009461 tlogG= -0.006583 logG= -0.016044 Density= 0.140882 ETOT(band)= 0.005371 trlgG= -0.013464 logG= -0.016044 TDE= -0.132582 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019030 tlogG= -0.011522 logG= -0.030552 Density= 0.276928 ETOT(band)= 0.005849 trlgG= -0.030375 logG= -0.030552 TDE= -0.265506 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003098 tlogG= 0.069167 logG= 0.066068 Density= 0.045896 ETOT(band)= 0.000669 trlgG= 0.065888 logG= 0.066068 TDE= -0.044213 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002324 tlogG= 0.051894 logG= 0.049570 Density= 0.034485 ETOT(band)= 0.000551 trlgG= 0.049491 logG= 0.049570 TDE= -0.033163 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003128 tlogG= 0.069849 logG= 0.066721 Density= 0.046318 ETOT(band)= 0.001090 trlgG= 0.067003 logG= 0.066721 TDE= -0.044155 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009320 tlogG= 0.208369 logG= 0.199049 Density= 0.138710 ETOT(band)= 0.002999 trlgG= 0.199496 logG= 0.199049 TDE= -0.132630 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009356 tlogG= 0.209070 logG= 0.199714 Density= 0.139210 ETOT(band)= 0.003523 trlgG= 0.200721 logG= 0.199714 TDE= -0.132551 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004652 tlogG= 0.104003 logG= 0.099350 Density= 0.069212 ETOT(band)= 0.001334 trlgG= 0.099434 logG= 0.099350 TDE= -0.066318 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003108 tlogG= 0.069451 logG= 0.066342 Density= 0.046247 ETOT(band)= 0.000990 trlgG= 0.066509 logG= 0.066342 TDE= -0.044202 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.52657912213915 eV TrLogG= -13.7609714502590 eV Ratio to renormalize= 0.999999999819 rho-rho_expected= 0.000000002901 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 59) Finished k-point number 60 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 90) Finished k-point number 91 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 95) Finished k-point number 96 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 67) Finished k-point number 68 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 74) Finished k-point number 75 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931357749768036 0.928002373576733 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 21) Finished k-point number 22 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0532389155511 Density= 16.0007393115679 16.0000000000000 EF 12.7811250834375 Density= 15.3570838146020 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95939545 0.93939545 0.739312E-03 -0.642916 1 0.95937248 0.93939545 0.106597E-03 -0.642916 2 0.95936861 0.95937248 -0.324124E-08 0.106597E-03 3 0.95936861 0.95936861 0.888178E-13 -0.324124E-08 Absolute convergence of |F(X)|. Difference in EF= -0.0003652009 EF set to : 13.0528737146 new EF (no-mixing): 13.0528737146 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001208 tlogG= -0.001233 logG= -0.002441 Density= 0.018986 ETOT(band)= 0.001243 trlgG= -0.001606 logG= -0.002441 TDE= -0.017380 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002408 tlogG= -0.002373 logG= -0.004781 Density= 0.037919 ETOT(band)= 0.002578 trlgG= -0.003024 logG= -0.004781 TDE= -0.034621 logGD-logG0= -0.009640 tlogG= -0.009406 logG= -0.019046 Density= 0.151779 ETOT(band)= 0.010194 trlgG= -0.012122 logG= -0.019046 TDE= -0.138688 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004816 tlogG= -0.004556 logG= -0.009372 Density= 0.075862 ETOT(band)= 0.005175 trlgG= -0.005833 logG= -0.009372 TDE= -0.069241 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002413 tlogG= -0.002049 logG= -0.004462 Density= 0.037435 ETOT(band)= 0.002577 trlgG= -0.002749 logG= -0.004462 TDE= -0.034201 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001576 tlogG= -0.001302 logG= -0.002878 Density= 0.022796 ETOT(band)= -0.000149 trlgG= -0.003476 logG= -0.002878 TDE= -0.022468 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009667 tlogG= -0.007942 logG= -0.017609 Density= 0.150564 ETOT(band)= 0.010495 trlgG= -0.010496 logG= -0.017609 TDE= -0.137334 logGD-logG0= -0.009692 tlogG= -0.006575 logG= -0.016267 Density= 0.143680 ETOT(band)= 0.004806 trlgG= -0.014666 logG= -0.016267 TDE= -0.136241 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004836 tlogG= -0.004134 logG= -0.008970 Density= 0.075503 ETOT(band)= 0.005191 trlgG= -0.005479 logG= -0.008970 TDE= -0.068945 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009670 tlogG= -0.008548 logG= -0.018218 Density= 0.150795 ETOT(band)= 0.010607 trlgG= -0.011013 logG= -0.018218 TDE= -0.137463 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009681 tlogG= -0.008680 logG= -0.018361 Density= 0.151274 ETOT(band)= 0.010630 trlgG= -0.011093 logG= -0.018361 TDE= -0.137859 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009642 tlogG= -0.007684 logG= -0.017326 Density= 0.149878 ETOT(band)= 0.010858 trlgG= -0.009813 logG= -0.017326 TDE= -0.136275 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019313 tlogG= -0.014543 logG= -0.033856 Density= 0.299093 ETOT(band)= 0.020797 trlgG= -0.019621 logG= -0.033856 TDE= -0.272706 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019332 tlogG= -0.015662 logG= -0.034994 Density= 0.301300 ETOT(band)= 0.020932 trlgG= -0.020833 logG= -0.034994 TDE= -0.274897 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009683 tlogG= -0.006523 logG= -0.016207 Density= 0.147110 ETOT(band)= 0.008281 trlgG= -0.011194 logG= -0.016207 TDE= -0.136120 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003145 tlogG= -0.002496 logG= -0.005641 Density= 0.045415 ETOT(band)= -0.000299 trlgG= -0.006879 logG= -0.005641 TDE= -0.044808 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009448 tlogG= -0.007365 logG= -0.016813 Density= 0.136858 ETOT(band)= -0.000575 trlgG= -0.020236 logG= -0.016813 TDE= -0.134720 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003099 tlogG= -0.002573 logG= -0.005672 Density= 0.045921 ETOT(band)= 0.000617 trlgG= -0.005841 logG= -0.005672 TDE= -0.044224 logGD-logG0= -0.003127 tlogG= -0.002523 logG= -0.005650 Density= 0.045650 ETOT(band)= 0.000111 trlgG= -0.006404 logG= -0.005650 TDE= -0.044549 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009439 tlogG= -0.007280 logG= -0.016720 Density= 0.136729 ETOT(band)= -0.000519 trlgG= -0.020102 logG= -0.016720 TDE= -0.134556 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009368 tlogG= -0.007272 logG= -0.016640 Density= 0.137445 ETOT(band)= 0.001177 trlgG= -0.018050 logG= -0.016640 TDE= -0.133270 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009456 tlogG= -0.006570 logG= -0.016025 Density= 0.137973 ETOT(band)= 0.000803 trlgG= -0.018184 logG= -0.016025 TDE= -0.134526 logGD-logG0= -0.009425 tlogG= -0.007206 logG= -0.016631 Density= 0.136774 ETOT(band)= -0.000127 trlgG= -0.019591 logG= -0.016631 TDE= -0.134177 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009749 tlogG= -0.007033 logG= -0.016781 Density= 0.147461 ETOT(band)= 0.008992 trlgG= -0.011086 logG= -0.016781 TDE= -0.135774 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009428 tlogG= -0.006438 logG= -0.015865 Density= 0.137736 ETOT(band)= 0.001061 trlgG= -0.017709 logG= -0.015865 TDE= -0.133984 logGD-logG0= -0.009403 tlogG= -0.007236 logG= -0.016639 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137006 ETOT(band)= 0.000279 trlgG= -0.019106 logG= -0.016639 TDE= -0.133906 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009451 tlogG= -0.006753 logG= -0.016204 Density= 0.138551 ETOT(band)= 0.001754 trlgG= -0.017192 logG= -0.016204 TDE= -0.133910 logGD-logG0= -0.009547 tlogG= -0.006271 logG= -0.015818 Density= 0.140317 ETOT(band)= 0.003402 trlgG= -0.015249 logG= -0.015818 TDE= -0.134047 logGD-logG0= -0.009713 tlogG= -0.006422 logG= -0.016135 Density= 0.142500 ETOT(band)= 0.004321 trlgG= -0.014902 logG= -0.016135 TDE= -0.135478 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004774 tlogG= -0.003053 logG= -0.007827 Density= 0.067609 ETOT(band)= -0.001216 trlgG= -0.010478 logG= -0.007827 TDE= -0.067513 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009686 tlogG= -0.007447 logG= -0.017133 Density= 0.148843 ETOT(band)= 0.010647 trlgG= -0.009806 logG= -0.017133 TDE= -0.135469 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009463 tlogG= -0.006535 logG= -0.015998 Density= 0.137920 ETOT(band)= 0.000830 trlgG= -0.018163 logG= -0.015998 TDE= -0.134481 logGD-logG0= -0.009509 tlogG= -0.005851 logG= -0.015360 Density= 0.138122 ETOT(band)= 0.001067 trlgG= -0.017247 logG= -0.015360 TDE= -0.134397 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009554 tlogG= -0.005929 logG= -0.015483 logGD-logG0= -0.004789 tlogG= -0.002530 logG= -0.007319 Density= 0.065341 ETOT(band)= -0.002720 trlgG= -0.011325 logG= -0.007319 TDE= -0.066692 Density= 0.135890 ETOT(band)= -0.001425 trlgG= -0.019793 logG= -0.015483 TDE= -0.134678 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009525 tlogG= -0.006051 logG= -0.015576 Density= 0.138710 ETOT(band)= 0.001623 trlgG= -0.016831 logG= -0.015576 TDE= -0.134329 logGD-logG0= -0.009448 tlogG= -0.006765 logG= -0.016213 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137591 ETOT(band)= 0.000354 trlgG= -0.018835 logG= -0.016213 TDE= -0.134622 logGD-logG0= -0.009491 tlogG= -0.005528 logG= -0.015019 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136840 ETOT(band)= 0.000320 trlgG= -0.017647 logG= -0.015019 TDE= -0.133908 logGD-logG0= -0.009613 tlogG= -0.006490 logG= -0.016103 Density= 0.143517 ETOT(band)= 0.006790 trlgG= -0.012236 logG= -0.016103 TDE= -0.133819 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009539 tlogG= -0.005539 logG= -0.015078 Density= 0.133714 ETOT(band)= -0.003141 trlgG= -0.021036 logG= -0.015078 TDE= -0.134239 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009396 tlogG= -0.006731 logG= -0.016127 Density= 0.139109 ETOT(band)= 0.003031 trlgG= -0.015716 logG= -0.016127 TDE= -0.133045 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019479 tlogG= -0.012593 logG= -0.032072 Density= 0.285056 ETOT(band)= 0.008190 trlgG= -0.030168 logG= -0.032072 TDE= -0.271569 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018886 tlogG= -0.013530 logG= -0.032415 Density= 0.275352 ETOT(band)= 0.001335 trlgG= -0.036900 logG= -0.032415 TDE= -0.268649 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018990 tlogG= -0.011788 logG= -0.030779 Density= 0.277992 ETOT(band)= 0.004095 trlgG= -0.032686 logG= -0.030779 TDE= -0.268604 logGD-logG0= -0.019009 tlogG= -0.011942 logG= -0.030951 Density= 0.278354 ETOT(band)= 0.004159 trlgG= -0.032839 logG= -0.030951 TDE= -0.268932 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009763 tlogG= -0.006427 logG= -0.016190 Density= 0.143001 ETOT(band)= 0.004282 trlgG= -0.015097 logG= -0.016190 TDE= -0.136098 logGD-logG0= -0.019097 tlogG= -0.010673 logG= -0.029770 Density= 0.271324 ETOT(band)= -0.002173 trlgG= -0.037770 logG= -0.029770 TDE= -0.268301 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000387 tlogG= 0.008630 logG= 0.008243 Density= 0.005722 ETOT(band)= 0.000068 trlgG= 0.008206 logG= 0.008243 TDE= -0.005527 logGD-logG0= -0.019113 tlogG= -0.011280 logG= -0.030394 Density= 0.275446 ETOT(band)= 0.001273 trlgG= -0.034928 logG= -0.030394 TDE= -0.268789 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019239 tlogG= -0.011893 logG= -0.031132 Density= 0.281470 ETOT(band)= 0.006908 trlgG= -0.030249 logG= -0.031132 TDE= -0.269150 logGD-logG0= -0.019529 tlogG= -0.012570 logG= -0.032099 Density= 0.289499 ETOT(band)= 0.014777 trlgG= -0.023472 logG= -0.032099 TDE= -0.269109 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019200 tlogG= -0.009998 logG= -0.029198 Density= 0.263863 ETOT(band)= -0.008531 trlgG= -0.043242 logG= -0.029198 TDE= -0.267185 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019204 tlogG= -0.010283 logG= -0.029488 Density= 0.277953 ETOT(band)= 0.004494 trlgG= -0.030874 logG= -0.029488 TDE= -0.268046 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018920 tlogG= -0.012181 logG= -0.031101 Density= 0.278993 ETOT(band)= 0.006532 trlgG= -0.030196 logG= -0.031101 TDE= -0.266752 logGD-logG0= -0.009565 tlogG= -0.005365 logG= -0.014931 Density= 0.132974 ETOT(band)= -0.003835 trlgG= -0.021518 logG= -0.014931 TDE= -0.134159 logGD-logG0= -0.004867 tlogG= -0.003518 logG= -0.008385 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.074738 ETOT(band)= 0.004995 trlgG= -0.005041 logG= -0.008385 TDE= -0.068358 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009626 tlogG= -0.005113 logG= -0.014738 Density= 0.139897 ETOT(band)= 0.002869 trlgG= -0.014868 logG= -0.014738 TDE= -0.134342 logGD-logG0= -0.009630 tlogG= -0.004800 logG= -0.014429 logGD-logG0= -0.018916 tlogG= -0.011464 logG= -0.030380 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.130895 ETOT(band)= -0.005286 trlgG= -0.022443 logG= -0.014429 TDE= -0.133590 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.276537 ETOT(band)= 0.003958 trlgG= -0.032228 logG= -0.030380 TDE= -0.267149 logGD-logG0= -0.019135 tlogG= -0.011505 logG= -0.030640 logGD-logG0= -0.018989 tlogG= -0.012089 logG= -0.031078 Density= 0.270156 ETOT(band)= -0.004513 trlgG= -0.040930 logG= -0.030640 TDE= -0.269469 Density= 0.278167 ETOT(band)= 0.004560 trlgG= -0.032360 logG= -0.031078 TDE= -0.268147 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018817 tlogG= -0.013578 logG= -0.032395 logGD-logG0= -0.019183 tlogG= -0.010430 logG= -0.029613 Density= 0.276009 ETOT(band)= 0.003154 trlgG= -0.034669 logG= -0.032395 TDE= -0.267068 Density= 0.272231 ETOT(band)= -0.001875 trlgG= -0.037158 logG= -0.029613 TDE= -0.268715 logGD-logG0= -0.019343 tlogG= -0.011736 logG= -0.031080 Density= 0.280262 ETOT(band)= 0.004438 trlgG= -0.032761 logG= -0.031080 TDE= -0.270556 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019282 tlogG= -0.010971 logG= -0.030252 Density= 0.278026 ETOT(band)= 0.003589 trlgG= -0.032595 logG= -0.030252 TDE= -0.269072 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009784 tlogG= -0.005880 logG= -0.015664 Density= 0.143856 ETOT(band)= 0.006277 trlgG= -0.012451 logG= -0.015664 TDE= -0.134798 logGD-logG0= -0.019142 tlogG= -0.010363 logG= -0.029506 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.274330 ETOT(band)= 0.001861 trlgG= -0.033409 logG= -0.029506 TDE= -0.267087 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019234 tlogG= -0.009914 logG= -0.029148 Density= 0.266923 ETOT(band)= -0.006351 trlgG= -0.041066 logG= -0.029148 TDE= -0.267995 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009567 tlogG= -0.005046 logG= -0.014614 Density= 0.136458 ETOT(band)= -0.000415 trlgG= -0.017729 logG= -0.014614 TDE= -0.134029 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009587 tlogG= -0.005185 logG= -0.014772 Density= 0.136888 ETOT(band)= -0.000110 trlgG= -0.017672 logG= -0.014772 TDE= -0.134226 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009576 tlogG= -0.005403 logG= -0.014979 Density= 0.135893 ETOT(band)= -0.001266 trlgG= -0.018978 logG= -0.014979 TDE= -0.134370 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004792 tlogG= -0.002611 logG= -0.007403 Density= 0.068653 ETOT(band)= 0.000094 trlgG= -0.008753 logG= -0.007403 TDE= -0.067214 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002436 tlogG= -0.001842 logG= -0.004278 Density= 0.036941 ETOT(band)= 0.002588 trlgG= -0.002482 logG= -0.004278 TDE= -0.033644 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009324 tlogG= -0.008730 logG= -0.018054 Density= 0.139538 ETOT(band)= 0.003780 trlgG= -0.016723 logG= -0.018054 TDE= -0.132537 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002333 tlogG= -0.002323 logG= -0.004656 Density= 0.034906 ETOT(band)= 0.000961 trlgG= -0.004338 logG= -0.004656 TDE= -0.033170 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009374 tlogG= -0.007665 logG= -0.017038 Density= 0.138692 ETOT(band)= 0.002984 trlgG= -0.016448 logG= -0.017038 TDE= -0.132467 logGD-logG0= -0.002379 tlogG= -0.001949 logG= -0.004328 Density= 0.035817 ETOT(band)= 0.001777 trlgG= -0.003218 logG= -0.004328 TDE= -0.033251 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009355 tlogG= -0.007893 logG= -0.017248 logGD-logG0= -0.004679 tlogG= -0.003979 logG= -0.008658 Density= 0.138954 ETOT(band)= 0.003358 trlgG= -0.016332 logG= -0.017248 TDE= -0.132392 Density= 0.069991 ETOT(band)= 0.002189 trlgG= -0.007719 logG= -0.008658 TDE= -0.066208 logGD-logG0= -0.009436 tlogG= -0.007243 logG= -0.016679 Density= 0.141071 ETOT(band)= 0.005307 trlgG= -0.014054 logG= -0.016679 TDE= -0.132714 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009420 tlogG= -0.007316 logG= -0.016736 Density= 0.137687 ETOT(band)= 0.001731 trlgG= -0.017550 logG= -0.016736 TDE= -0.132906 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009386 tlogG= -0.008347 logG= -0.017734 Density= 0.140952 ETOT(band)= 0.005121 trlgG= -0.015199 logG= -0.017734 TDE= -0.132691 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009664 tlogG= -0.007099 logG= -0.016763 Density= 0.144907 ETOT(band)= 0.008415 trlgG= -0.011177 logG= -0.016763 TDE= -0.133433 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009477 tlogG= -0.006265 logG= -0.015743 Density= 0.137490 ETOT(band)= 0.001731 trlgG= -0.016843 logG= -0.015743 TDE= -0.133004 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009426 tlogG= -0.006799 logG= -0.016226 Density= 0.139447 ETOT(band)= 0.004003 trlgG= -0.014821 logG= -0.016226 TDE= -0.132376 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009594 tlogG= -0.005237 logG= -0.014831 Density= 0.133708 ETOT(band)= -0.001973 trlgG= -0.019591 logG= -0.014831 TDE= -0.133036 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018754 tlogG= -0.015592 logG= -0.034346 Density= 0.280597 ETOT(band)= 0.009250 trlgG= -0.030132 logG= -0.034346 TDE= -0.264982 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009323 tlogG= -0.008960 logG= -0.018283 Density= 0.139728 ETOT(band)= 0.003966 trlgG= -0.016833 logG= -0.018283 TDE= -0.132600 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009480 tlogG= -0.007446 logG= -0.016925 Density= 0.142536 ETOT(band)= 0.006584 trlgG= -0.013024 logG= -0.016925 TDE= -0.132843 logGD-logG0= -0.009618 tlogG= -0.004939 logG= -0.014557 Density= 0.130704 ETOT(band)= -0.004765 trlgG= -0.022035 logG= -0.014557 TDE= -0.132871 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009793 tlogG= -0.006621 logG= -0.016414 Density= 0.145740 ETOT(band)= 0.008830 trlgG= -0.010723 logG= -0.016414 TDE= -0.134128 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019086 tlogG= -0.013069 logG= -0.032155 Density= 0.284781 ETOT(band)= 0.012772 trlgG= -0.025110 logG= -0.032155 TDE= -0.266165 logGD-logG0= -0.004771 tlogG= -0.002781 logG= -0.007552 Density= 0.068353 ETOT(band)= 0.000727 trlgG= -0.008210 logG= -0.007552 TDE= -0.066234 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018864 tlogG= -0.013805 logG= -0.032670 Density= 0.277766 ETOT(band)= 0.006415 trlgG= -0.031361 logG= -0.032670 TDE= -0.265171 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009648 tlogG= -0.005610 logG= -0.015258 Density= 0.141362 ETOT(band)= 0.005296 trlgG= -0.012987 logG= -0.015258 TDE= -0.133347 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019032 tlogG= -0.011525 logG= -0.030557 Density= 0.276942 ETOT(band)= 0.005858 trlgG= -0.030372 logG= -0.030557 TDE= -0.265504 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009460 tlogG= -0.006582 logG= -0.016042 Density= 0.140881 ETOT(band)= 0.005366 trlgG= -0.013465 logG= -0.016042 TDE= -0.132581 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003098 tlogG= 0.069165 logG= 0.066066 Density= 0.045897 ETOT(band)= 0.000668 trlgG= 0.065885 logG= 0.066066 TDE= -0.044213 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003127 tlogG= 0.069847 logG= 0.066719 Density= 0.046318 ETOT(band)= 0.001089 trlgG= 0.067001 logG= 0.066719 TDE= -0.044155 logGD-logG0= -0.002324 tlogG= 0.051893 logG= 0.049568 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Density= 0.034485 ETOT(band)= 0.000551 trlgG= 0.049489 logG= 0.049568 TDE= -0.033163 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003108 tlogG= 0.069449 logG= 0.066340 Density= 0.046247 ETOT(band)= 0.000989 trlgG= 0.066506 logG= 0.066340 TDE= -0.044202 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004653 tlogG= 0.103998 logG= 0.099346 Density= 0.069212 ETOT(band)= 0.001333 trlgG= 0.099429 logG= 0.099346 TDE= -0.066317 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009320 tlogG= 0.208363 logG= 0.199043 Density= 0.138710 ETOT(band)= 0.002997 trlgG= 0.199488 logG= 0.199043 TDE= -0.132629 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009356 tlogG= 0.209064 logG= 0.199708 Density= 0.139210 ETOT(band)= 0.003521 trlgG= 0.200712 logG= 0.199708 TDE= -0.132550 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.52169149123805 eV TrLogG= -13.7655266047831 eV Ratio to renormalize= 0.999999999715 rho-rho_expected= 0.000000004563 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 49) Finished k-point number 50 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 56) Finished k-point number 57 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 97) Finished k-point number 98 1 with #bands= 20 93) Finished k-point number 94 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931359547827736 0.928016119215190 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 1) Finished k-point number 2 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 35) Finished k-point number 36 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 24) Finished k-point number 25 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 25) Finished k-point number 26 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 5) Finished k-point number 6 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 32) Finished k-point number 33 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 33) Finished k-point number 34 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 52) Finished k-point number 53 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 62) Finished k-point number 63 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 68) Finished k-point number 69 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0528737146399 Density= 15.9990250221698 16.0000000000000 EF 13.3249875467535 Density= 16.5009912056986 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97936861 0.95936861 0.500991 -0.974978E-03 1 0.96936861 0.95936863 0.259571 -0.974978E-03 2 0.96436862 0.95936838 0.132484 -0.974978E-03 3 0.96186850 0.95936850 0.667663E-01 -0.974978E-03 4 0.96061850 0.95936844 0.331795E-01 -0.974978E-03 5 0.95999347 0.95936823 0.161752E-01 -0.974978E-03 6 0.95968085 0.95936834 0.761421E-02 -0.974978E-03 7 0.95952460 0.95936852 0.332075E-02 -0.974978E-03 8 0.95944656 0.95936867 0.117295E-02 -0.974978E-03 9 0.95940761 0.95936836 0.100128E-03 -0.974978E-03 10 0.95940395 0.95940761 -0.713678E-06 0.100128E-03 11 0.95940398 0.95940395 0.189431E-10 -0.713678E-06 Absolute convergence of |F(X)|. Difference in EF= 0.0004812641 EF set to : 13.0533549787 new EF (no-mixing): 13.0533549787 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001208 tlogG= -0.001233 logG= -0.002441 Density= 0.018985 ETOT(band)= 0.001243 trlgG= -0.001607 logG= -0.002441 TDE= -0.017380 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009640 tlogG= -0.009407 logG= -0.019047 Density= 0.151776 ETOT(band)= 0.010195 trlgG= -0.012122 logG= -0.019047 TDE= -0.138690 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002408 tlogG= -0.002373 logG= -0.004781 Density= 0.037918 ETOT(band)= 0.002578 trlgG= -0.003024 logG= -0.004781 TDE= -0.034621 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004816 tlogG= -0.004556 logG= -0.009372 Density= 0.075860 ETOT(band)= 0.005176 trlgG= -0.005833 logG= -0.009372 TDE= -0.069241 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002413 tlogG= -0.002049 logG= -0.004463 Density= 0.037434 ETOT(band)= 0.002577 trlgG= -0.002750 logG= -0.004463 TDE= -0.034201 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001576 tlogG= -0.001301 logG= -0.002877 Density= 0.022795 ETOT(band)= -0.000149 trlgG= -0.003475 logG= -0.002877 TDE= -0.022468 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009670 tlogG= -0.008549 logG= -0.018219 Density= 0.150792 ETOT(band)= 0.010608 trlgG= -0.011014 logG= -0.018219 TDE= -0.137465 logGD-logG0= -0.009667 tlogG= -0.007943 logG= -0.017610 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.150561 ETOT(band)= 0.010497 trlgG= -0.010496 logG= -0.017610 TDE= -0.137336 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004836 tlogG= -0.004135 logG= -0.008970 Density= 0.075502 ETOT(band)= 0.005192 trlgG= -0.005479 logG= -0.008970 TDE= -0.068946 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009692 tlogG= -0.006574 logG= -0.016266 Density= 0.143691 ETOT(band)= 0.004821 trlgG= -0.014650 logG= -0.016266 TDE= -0.136242 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009681 tlogG= -0.008681 logG= -0.018362 Density= 0.151270 ETOT(band)= 0.010630 trlgG= -0.011094 logG= -0.018362 TDE= -0.137861 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009643 tlogG= -0.007684 logG= -0.017327 Density= 0.149874 ETOT(band)= 0.010858 trlgG= -0.009814 logG= -0.017327 TDE= -0.136277 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019332 tlogG= -0.015662 logG= -0.034994 Density= 0.301291 ETOT(band)= 0.020932 trlgG= -0.020834 logG= -0.034994 TDE= -0.274900 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019313 tlogG= -0.014545 logG= -0.033858 Density= 0.299085 ETOT(band)= 0.020798 trlgG= -0.019624 logG= -0.033858 TDE= -0.272709 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009684 tlogG= -0.006524 logG= -0.016207 Density= 0.147109 ETOT(band)= 0.008284 trlgG= -0.011192 logG= -0.016207 TDE= -0.136122 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003099 tlogG= -0.002573 logG= -0.005673 Density= 0.045920 ETOT(band)= 0.000618 trlgG= -0.005841 logG= -0.005673 TDE= -0.044225 logGD-logG0= -0.003145 tlogG= -0.002497 logG= -0.005642 Density= 0.045415 ETOT(band)= -0.000298 trlgG= -0.006878 logG= -0.005642 TDE= -0.044808 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009448 tlogG= -0.007366 logG= -0.016814 Density= 0.136857 ETOT(band)= -0.000572 trlgG= -0.020234 logG= -0.016814 TDE= -0.134721 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003127 tlogG= -0.002523 logG= -0.005650 Density= 0.045649 ETOT(band)= 0.000112 trlgG= -0.006404 logG= -0.005650 TDE= -0.044550 logGD-logG0= -0.009440 tlogG= -0.007280 logG= -0.016720 Density= 0.136727 ETOT(band)= -0.000516 trlgG= -0.020101 logG= -0.016720 TDE= -0.134557 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009368 tlogG= -0.007273 logG= -0.016641 Density= 0.137443 ETOT(band)= 0.001179 trlgG= -0.018048 logG= -0.016641 TDE= -0.133271 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009713 tlogG= -0.006425 logG= -0.016138 Density= 0.142498 ETOT(band)= 0.004323 trlgG= -0.014904 logG= -0.016138 TDE= -0.135479 logGD-logG0= -0.009424 tlogG= -0.007206 logG= -0.016631 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136773 ETOT(band)= -0.000125 trlgG= -0.019589 logG= -0.016631 TDE= -0.134178 logGD-logG0= -0.009455 tlogG= -0.006568 logG= -0.016023 Density= 0.137972 ETOT(band)= 0.000805 trlgG= -0.018179 logG= -0.016023 TDE= -0.134527 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009686 tlogG= -0.007447 logG= -0.017134 logGD-logG0= -0.009748 tlogG= -0.007033 logG= -0.016781 Density= 0.147458 ETOT(band)= 0.008993 trlgG= -0.011084 logG= -0.016781 TDE= -0.135775 Density= 0.148841 ETOT(band)= 0.010649 trlgG= -0.009806 logG= -0.017134 TDE= -0.135471 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009548 tlogG= -0.006272 logG= -0.015820 Density= 0.140318 ETOT(band)= 0.003408 trlgG= -0.015246 logG= -0.015820 TDE= -0.134048 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009509 tlogG= -0.005850 logG= -0.015359 Density= 0.138122 ETOT(band)= 0.001071 trlgG= -0.017242 logG= -0.015359 TDE= -0.134399 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009404 tlogG= -0.007237 logG= -0.016641 Density= 0.137003 ETOT(band)= 0.000282 trlgG= -0.019106 logG= -0.016641 TDE= -0.133907 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009613 tlogG= -0.006490 logG= -0.016103 logGD-logG0= -0.009539 tlogG= -0.005539 logG= -0.015078 Density= 0.133714 ETOT(band)= -0.003137 trlgG= -0.021032 logG= -0.015078 TDE= -0.134240 Density= 0.143518 ETOT(band)= 0.006795 trlgG= -0.012232 logG= -0.016103 TDE= -0.133821 logGD-logG0= -0.009491 tlogG= -0.005529 logG= -0.015020 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136838 ETOT(band)= 0.000323 trlgG= -0.017645 logG= -0.015020 TDE= -0.133909 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004774 tlogG= -0.003054 logG= -0.007828 Density= 0.067609 ETOT(band)= -0.001213 trlgG= -0.010477 logG= -0.007828 TDE= -0.067514 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004789 tlogG= -0.002533 logG= -0.007322 Density= 0.065352 ETOT(band)= -0.002707 trlgG= -0.011316 logG= -0.007322 TDE= -0.066693 logGD-logG0= -0.009555 tlogG= -0.005929 logG= -0.015483 logGD-logG0= -0.009451 tlogG= -0.006753 logG= -0.016204 Density= 0.135890 ETOT(band)= -0.001421 trlgG= -0.019790 logG= -0.015483 TDE= -0.134680 Density= 0.138551 ETOT(band)= 0.001758 trlgG= -0.017189 logG= -0.016204 TDE= -0.133912 logGD-logG0= -0.009449 tlogG= -0.006758 logG= -0.016206 Density= 0.137593 ETOT(band)= 0.000362 trlgG= -0.018823 logG= -0.016206 TDE= -0.134623 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009463 tlogG= -0.006536 logG= -0.015999 Density= 0.137919 ETOT(band)= 0.000834 trlgG= -0.018161 logG= -0.015999 TDE= -0.134483 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009428 tlogG= -0.006438 logG= -0.015866 Density= 0.137735 ETOT(band)= 0.001065 trlgG= -0.017707 logG= -0.015866 TDE= -0.133985 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009764 tlogG= -0.006427 logG= -0.016190 Density= 0.143006 ETOT(band)= 0.004291 trlgG= -0.015090 logG= -0.016190 TDE= -0.136100 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019479 tlogG= -0.012591 logG= -0.032071 Density= 0.285069 ETOT(band)= 0.008211 trlgG= -0.030146 logG= -0.032071 TDE= -0.271572 logGD-logG0= -0.018987 tlogG= -0.011781 logG= -0.030768 Density= 0.277983 ETOT(band)= 0.004092 trlgG= -0.032677 logG= -0.030768 TDE= -0.268607 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018886 tlogG= -0.013528 logG= -0.032414 Density= 0.275349 ETOT(band)= 0.001342 trlgG= -0.036894 logG= -0.032414 TDE= -0.268651 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019008 tlogG= -0.011938 logG= -0.030945 Density= 0.278350 ETOT(band)= 0.004163 trlgG= -0.032829 logG= -0.030945 TDE= -0.268934 logGD-logG0= -0.019098 tlogG= -0.010668 logG= -0.029765 Density= 0.271319 ETOT(band)= -0.002169 trlgG= -0.037764 logG= -0.029765 TDE= -0.268303 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019239 tlogG= -0.011892 logG= -0.031131 Density= 0.281472 ETOT(band)= 0.006917 trlgG= -0.030238 logG= -0.031131 TDE= -0.269153 logGD-logG0= -0.018921 tlogG= -0.012177 logG= -0.031097 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278991 ETOT(band)= 0.006539 trlgG= -0.030187 logG= -0.031097 TDE= -0.266754 logGD-logG0= -0.018989 tlogG= -0.012090 logG= -0.031079 logGD-logG0= -0.019198 tlogG= -0.009999 logG= -0.029197 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.263869 ETOT(band)= -0.008518 trlgG= -0.043228 logG= -0.029197 TDE= -0.267187 logGD-logG0= -0.000387 tlogG= 0.008630 logG= 0.008243 Density= 0.005722 ETOT(band)= 0.000068 trlgG= 0.008206 logG= 0.008243 TDE= -0.005527 Density= 0.278169 ETOT(band)= 0.004570 trlgG= -0.032352 logG= -0.031079 TDE= -0.268150 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.004867 tlogG= -0.003519 logG= -0.008386 Density= 0.074737 ETOT(band)= 0.004996 trlgG= -0.005041 logG= -0.008386 TDE= -0.068358 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019113 tlogG= -0.011282 logG= -0.030395 Density= 0.275456 ETOT(band)= 0.001291 trlgG= -0.034913 logG= -0.030395 TDE= -0.268791 logGD-logG0= -0.019205 tlogG= -0.010284 logG= -0.029489 Density= 0.277960 ETOT(band)= 0.004509 trlgG= -0.030862 logG= -0.029489 TDE= -0.268048 logGD-logG0= -0.019529 tlogG= -0.012572 logG= -0.032101 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.289499 ETOT(band)= 0.014785 trlgG= -0.023467 logG= -0.032101 TDE= -0.269112 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018918 tlogG= -0.011458 logG= -0.030376 logGD-logG0= -0.009629 tlogG= -0.004800 logG= -0.014429 Density= 0.276541 ETOT(band)= 0.003972 trlgG= -0.032213 logG= -0.030376 TDE= -0.267151 Density= 0.130901 ETOT(band)= -0.005277 trlgG= -0.022434 logG= -0.014429 TDE= -0.133592 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018817 tlogG= -0.013579 logG= -0.032396 Density= 0.276006 ETOT(band)= 0.003160 trlgG= -0.034665 logG= -0.032396 TDE= -0.267070 logGD-logG0= -0.019134 tlogG= -0.011498 logG= -0.030631 Density= 0.270144 ETOT(band)= -0.004518 trlgG= -0.040926 logG= -0.030631 TDE= -0.269471 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009626 tlogG= -0.005114 logG= -0.014740 Density= 0.139901 ETOT(band)= 0.002878 trlgG= -0.014861 logG= -0.014740 TDE= -0.134343 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019344 tlogG= -0.011735 logG= -0.031079 Density= 0.280264 ETOT(band)= 0.004448 trlgG= -0.032751 logG= -0.031079 TDE= -0.270558 logGD-logG0= -0.019183 tlogG= -0.010428 logG= -0.029611 Density= 0.272230 ETOT(band)= -0.001867 trlgG= -0.037150 logG= -0.029611 TDE= -0.268718 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009566 tlogG= -0.005368 logG= -0.014934 Density= 0.132981 ETOT(band)= -0.003824 trlgG= -0.021512 logG= -0.014934 TDE= -0.134160 logGD-logG0= -0.019235 tlogG= -0.009907 logG= -0.029142 Density= 0.266884 ETOT(band)= -0.006381 trlgG= -0.041091 logG= -0.029142 TDE= -0.267998 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019143 tlogG= -0.010364 logG= -0.029507 Density= 0.274345 ETOT(band)= 0.001883 trlgG= -0.033390 logG= -0.029507 TDE= -0.267090 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009397 tlogG= -0.006730 logG= -0.016127 Density= 0.139109 ETOT(band)= 0.003036 trlgG= -0.015711 logG= -0.016127 TDE= -0.133046 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019283 tlogG= -0.010972 logG= -0.030255 Density= 0.278035 ETOT(band)= 0.003607 trlgG= -0.032582 logG= -0.030255 TDE= -0.269075 logGD-logG0= -0.009568 tlogG= -0.005049 logG= -0.014617 Density= 0.136465 ETOT(band)= -0.000404 trlgG= -0.017722 logG= -0.014617 TDE= -0.134030 logGD-logG0= -0.009784 tlogG= -0.005880 logG= -0.015664 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.143858 ETOT(band)= 0.006283 trlgG= -0.012446 logG= -0.015664 TDE= -0.134799 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009525 tlogG= -0.006053 logG= -0.015578 Density= 0.138710 ETOT(band)= 0.001627 trlgG= -0.016829 logG= -0.015578 TDE= -0.134331 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009587 tlogG= -0.005185 logG= -0.014772 Density= 0.136890 ETOT(band)= -0.000104 trlgG= -0.017667 logG= -0.014772 TDE= -0.134228 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004792 tlogG= -0.002611 logG= -0.007403 Density= 0.068653 ETOT(band)= 0.000096 trlgG= -0.008751 logG= -0.007403 TDE= -0.067215 logGD-logG0= -0.009577 tlogG= -0.005403 logG= -0.014980 Density= 0.135893 ETOT(band)= -0.001261 trlgG= -0.018974 logG= -0.014980 TDE= -0.134371 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009324 tlogG= -0.008730 logG= -0.018054 Density= 0.139537 ETOT(band)= 0.003784 trlgG= -0.016719 logG= -0.018054 TDE= -0.132538 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002333 tlogG= -0.002323 logG= -0.004656 Density= 0.034906 ETOT(band)= 0.000962 trlgG= -0.004337 logG= -0.004656 TDE= -0.033170 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009374 tlogG= -0.007665 logG= -0.017039 Density= 0.138692 ETOT(band)= 0.002988 trlgG= -0.016445 logG= -0.017039 TDE= -0.132468 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009356 tlogG= -0.007893 logG= -0.017249 Density= 0.138953 ETOT(band)= 0.003362 trlgG= -0.016330 logG= -0.017249 TDE= -0.132393 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009664 tlogG= -0.007100 logG= -0.016764 Density= 0.144906 ETOT(band)= 0.008419 trlgG= -0.011175 logG= -0.016764 TDE= -0.133434 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009386 tlogG= -0.008348 logG= -0.017735 Density= 0.140952 ETOT(band)= 0.005125 trlgG= -0.015197 logG= -0.017735 TDE= -0.132692 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002379 tlogG= -0.001949 logG= -0.004328 Density= 0.035817 ETOT(band)= 0.001779 trlgG= -0.003217 logG= -0.004328 TDE= -0.033252 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004678 tlogG= -0.003978 logG= -0.008656 Density= 0.069991 ETOT(band)= 0.002190 trlgG= -0.007716 logG= -0.008656 TDE= -0.066209 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009593 tlogG= -0.005237 logG= -0.014831 Density= 0.133713 ETOT(band)= -0.001964 trlgG= -0.019583 logG= -0.014831 TDE= -0.133037 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002436 tlogG= -0.001842 logG= -0.004278 Density= 0.036940 ETOT(band)= 0.002588 trlgG= -0.002481 logG= -0.004278 TDE= -0.033644 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009477 tlogG= -0.006266 logG= -0.015744 Density= 0.137490 ETOT(band)= 0.001736 trlgG= -0.016840 logG= -0.015744 TDE= -0.133005 logGD-logG0= -0.004771 tlogG= -0.002782 logG= -0.007552 Density= 0.068358 ETOT(band)= 0.000735 trlgG= -0.008203 logG= -0.007552 TDE= -0.066234 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019087 tlogG= -0.013069 logG= -0.032156 Density= 0.284784 ETOT(band)= 0.012783 trlgG= -0.025100 logG= -0.032156 TDE= -0.266167 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009323 tlogG= -0.008960 logG= -0.018283 Density= 0.139727 ETOT(band)= 0.003970 trlgG= -0.016829 logG= -0.018283 TDE= -0.132602 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018754 tlogG= -0.015593 logG= -0.034347 Density= 0.280596 ETOT(band)= 0.009258 trlgG= -0.030126 logG= -0.034347 TDE= -0.264984 logGD-logG0= -0.009617 tlogG= -0.004938 logG= -0.014555 Density= 0.130708 ETOT(band)= -0.004757 trlgG= -0.022025 logG= -0.014555 TDE= -0.132872 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009793 tlogG= -0.006621 logG= -0.016414 Density= 0.145740 ETOT(band)= 0.008834 trlgG= -0.010720 logG= -0.016414 TDE= -0.134129 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009648 tlogG= -0.005610 logG= -0.015258 Density= 0.141365 ETOT(band)= 0.005304 trlgG= -0.012980 logG= -0.015258 TDE= -0.133348 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009480 tlogG= -0.007446 logG= -0.016926 Density= 0.142536 ETOT(band)= 0.006589 trlgG= -0.013020 logG= -0.016926 TDE= -0.132844 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018865 tlogG= -0.013804 logG= -0.032668 Density= 0.277766 ETOT(band)= 0.006424 trlgG= -0.031352 logG= -0.032668 TDE= -0.265173 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019030 tlogG= -0.011526 logG= -0.030556 Density= 0.276942 ETOT(band)= 0.005865 trlgG= -0.030364 logG= -0.030556 TDE= -0.265507 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009437 tlogG= -0.007243 logG= -0.016680 Density= 0.141071 ETOT(band)= 0.005312 trlgG= -0.014051 logG= -0.016680 TDE= -0.132716 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009461 tlogG= -0.006584 logG= -0.016045 Density= 0.140882 ETOT(band)= 0.005373 trlgG= -0.013464 logG= -0.016045 TDE= -0.132582 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009420 tlogG= -0.007318 logG= -0.016738 Density= 0.137685 ETOT(band)= 0.001734 trlgG= -0.017550 logG= -0.016738 TDE= -0.132907 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009427 tlogG= -0.006804 logG= -0.016231 Density= 0.139443 ETOT(band)= 0.004004 trlgG= -0.014826 logG= -0.016231 TDE= -0.132377 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003128 tlogG= 0.069849 logG= 0.066722 Density= 0.046318 ETOT(band)= 0.001091 trlgG= 0.067004 logG= 0.066722 TDE= -0.044155 logGD-logG0= -0.003099 tlogG= 0.069167 logG= 0.066068 Density= 0.045896 ETOT(band)= 0.000669 trlgG= 0.065888 logG= 0.066068 TDE= -0.044213 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002324 tlogG= 0.051895 logG= 0.049570 Density= 0.034485 ETOT(band)= 0.000552 trlgG= 0.049492 logG= 0.049570 TDE= -0.033163 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009320 tlogG= 0.208371 logG= 0.199051 Density= 0.138709 ETOT(band)= 0.003000 trlgG= 0.199499 logG= 0.199051 TDE= -0.132630 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004653 tlogG= 0.104003 logG= 0.099350 Density= 0.069211 ETOT(band)= 0.001335 trlgG= 0.099434 logG= 0.099350 TDE= -0.066318 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003109 tlogG= 0.069451 logG= 0.066342 Density= 0.046247 ETOT(band)= 0.000990 trlgG= 0.066509 logG= 0.066342 TDE= -0.044203 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009356 tlogG= 0.209072 logG= 0.199716 Density= 0.139209 ETOT(band)= 0.003524 trlgG= 0.200724 logG= 0.199716 TDE= -0.132551 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.52827639890508 eV TrLogG= -13.7594079774895 eV Ratio to renormalize= 0.999999999714 rho-rho_expected= 0.000000004582 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 32) Finished k-point number 33 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 61) Finished k-point number 62 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 69) Finished k-point number 70 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 97) Finished k-point number 98 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 88) Finished k-point number 89 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 75) Finished k-point number 76 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931322453508367 0.927946547420624 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0533549787489 Density= 15.9949293076104 16.0000000000000 EF 13.3254688108625 Density= 16.4977937776235 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97940398 0.95940398 0.497794 -0.507069E-02 1 0.96940398 0.95940352 0.256068 -0.507069E-02 2 0.96440375 0.95940375 0.128746 -0.507069E-02 3 0.96190375 0.95940364 0.628690E-01 -0.507069E-02 4 0.96065369 0.95940369 0.291846E-01 -0.507069E-02 5 0.96002869 0.95940390 0.121294E-01 -0.507069E-02 6 0.95971630 0.95940356 0.354783E-02 -0.507069E-02 7 0.95958740 0.95971630 -0.449632E-05 0.354783E-02 8 0.95958756 0.95958740 0.423251E-08 -0.449632E-05 9 0.95958756 0.95958740 0.355271E-14 -0.449632E-05 Absolute convergence of |F(X)|. Difference in EF= 0.0024977150 EF set to : 13.0558526937 new EF (no-mixing): 13.0558526937 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001208 tlogG= -0.001234 logG= -0.002442 Density= 0.018983 ETOT(band)= 0.001244 trlgG= -0.001606 logG= -0.002442 TDE= -0.017381 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009640 tlogG= -0.009408 logG= -0.019048 Density= 0.151758 ETOT(band)= 0.010201 trlgG= -0.012121 logG= -0.019048 TDE= -0.138698 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002408 tlogG= -0.002373 logG= -0.004781 Density= 0.037913 ETOT(band)= 0.002580 trlgG= -0.003023 logG= -0.004781 TDE= -0.034623 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004816 tlogG= -0.004557 logG= -0.009373 Density= 0.075851 ETOT(band)= 0.005179 trlgG= -0.005832 logG= -0.009373 TDE= -0.069245 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002413 tlogG= -0.002050 logG= -0.004463 Density= 0.037427 ETOT(band)= 0.002576 trlgG= -0.002751 logG= -0.004463 TDE= -0.034203 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001576 tlogG= -0.001301 logG= -0.002877 Density= 0.022794 ETOT(band)= -0.000146 trlgG= -0.003473 logG= -0.002877 TDE= -0.022469 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009668 tlogG= -0.007944 logG= -0.017612 Density= 0.150539 ETOT(band)= 0.010498 trlgG= -0.010500 logG= -0.017612 TDE= -0.137343 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009692 tlogG= -0.006575 logG= -0.016268 Density= 0.143711 ETOT(band)= 0.004862 trlgG= -0.014614 logG= -0.016268 TDE= -0.136249 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009671 tlogG= -0.008550 logG= -0.018221 Density= 0.150770 ETOT(band)= 0.010610 trlgG= -0.011016 logG= -0.018221 TDE= -0.137473 logGD-logG0= -0.004836 tlogG= -0.004135 logG= -0.008971 Density= 0.075492 ETOT(band)= 0.005194 trlgG= -0.005480 logG= -0.008971 TDE= -0.068949 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009682 tlogG= -0.008682 logG= -0.018363 Density= 0.151251 ETOT(band)= 0.010635 trlgG= -0.011094 logG= -0.018363 TDE= -0.137869 logGD-logG0= -0.009643 tlogG= -0.007685 logG= -0.017328 Density= 0.149851 ETOT(band)= 0.010860 trlgG= -0.009817 logG= -0.017328 TDE= -0.136284 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019333 tlogG= -0.015664 logG= -0.034998 Density= 0.301249 ETOT(band)= 0.020938 trlgG= -0.020838 logG= -0.034998 TDE= -0.274915 logGD-logG0= -0.019314 tlogG= -0.014547 logG= -0.033861 Density= 0.299046 ETOT(band)= 0.020806 trlgG= -0.019624 logG= -0.033861 TDE= -0.272723 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009684 tlogG= -0.006525 logG= -0.016209 Density= 0.147098 ETOT(band)= 0.008296 trlgG= -0.011184 logG= -0.016209 TDE= -0.136129 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003145 tlogG= -0.002496 logG= -0.005641 Density= 0.045411 ETOT(band)= -0.000293 trlgG= -0.006875 logG= -0.005641 TDE= -0.044809 logGD-logG0= -0.009447 tlogG= -0.007363 logG= -0.016810 Density= 0.136847 ETOT(band)= -0.000558 trlgG= -0.020219 logG= -0.016810 TDE= -0.134725 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003099 tlogG= -0.002572 logG= -0.005672 Density= 0.045918 ETOT(band)= 0.000624 trlgG= -0.005835 logG= -0.005672 TDE= -0.044226 logGD-logG0= -0.003127 tlogG= -0.002522 logG= -0.005650 Density= 0.045646 ETOT(band)= 0.000117 trlgG= -0.006399 logG= -0.005650 TDE= -0.044551 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009440 tlogG= -0.007279 logG= -0.016719 Density= 0.136716 ETOT(band)= -0.000502 trlgG= -0.020088 logG= -0.016719 TDE= -0.134561 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009425 tlogG= -0.007204 logG= -0.016629 Density= 0.136763 ETOT(band)= -0.000110 trlgG= -0.019576 logG= -0.016629 TDE= -0.134182 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009368 tlogG= -0.007270 logG= -0.016638 Density= 0.137435 ETOT(band)= 0.001196 trlgG= -0.018031 logG= -0.016638 TDE= -0.133274 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009687 tlogG= -0.007448 logG= -0.017134 Density= 0.148820 ETOT(band)= 0.010652 trlgG= -0.009806 logG= -0.017134 TDE= -0.135477 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009714 tlogG= -0.006424 logG= -0.016138 logGD-logG0= -0.009456 tlogG= -0.006569 logG= -0.016025 Density= 0.142514 ETOT(band)= 0.004361 trlgG= -0.014869 logG= -0.016138 TDE= -0.135486 Density= 0.137967 ETOT(band)= 0.000825 trlgG= -0.018165 logG= -0.016025 TDE= -0.134532 logGD-logG0= -0.009749 tlogG= -0.007035 logG= -0.016784 Density= 0.147447 ETOT(band)= 0.009006 trlgG= -0.011078 logG= -0.016784 TDE= -0.135782 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009464 tlogG= -0.006535 logG= -0.015999 Density= 0.137914 ETOT(band)= 0.000852 trlgG= -0.018145 logG= -0.015999 TDE= -0.134487 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009450 tlogG= -0.006750 logG= -0.016201 Density= 0.138546 ETOT(band)= 0.001777 trlgG= -0.017170 logG= -0.016201 TDE= -0.133916 logGD-logG0= -0.009426 tlogG= -0.006434 logG= -0.015861 Density= 0.137729 ETOT(band)= 0.001081 trlgG= -0.017687 logG= -0.015861 TDE= -0.133989 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009404 tlogG= -0.007236 logG= -0.016640 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136994 ETOT(band)= 0.000297 trlgG= -0.019093 logG= -0.016640 TDE= -0.133911 logGD-logG0= -0.009547 tlogG= -0.006271 logG= -0.015819 Density= 0.140323 ETOT(band)= 0.003435 trlgG= -0.015220 logG= -0.015819 TDE= -0.134054 logGD-logG0= -0.004790 tlogG= -0.002528 logG= -0.007317 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.065338 ETOT(band)= -0.002709 trlgG= -0.011314 logG= -0.007317 TDE= -0.066694 logGD-logG0= -0.009539 tlogG= -0.005537 logG= -0.015077 Density= 0.133699 ETOT(band)= -0.003127 trlgG= -0.021024 logG= -0.015077 TDE= -0.134244 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009509 tlogG= -0.005849 logG= -0.015358 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138123 ETOT(band)= 0.001095 trlgG= -0.017220 logG= -0.015358 TDE= -0.134404 logGD-logG0= -0.009397 tlogG= -0.006731 logG= -0.016128 logGD-logG0= -0.004774 tlogG= -0.003051 logG= -0.007825 Density= 0.139106 ETOT(band)= 0.003056 trlgG= -0.015695 logG= -0.016128 TDE= -0.133051 Density= 0.067599 ETOT(band)= -0.001211 trlgG= -0.010474 logG= -0.007825 TDE= -0.067516 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009491 tlogG= -0.005529 logG= -0.015020 Density= 0.136834 ETOT(band)= 0.000342 trlgG= -0.017630 logG= -0.015020 TDE= -0.133914 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009525 tlogG= -0.006049 logG= -0.015575 Density= 0.138711 ETOT(band)= 0.001652 trlgG= -0.016805 logG= -0.015575 TDE= -0.134336 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009613 tlogG= -0.006490 logG= -0.016103 Density= 0.143522 ETOT(band)= 0.006821 trlgG= -0.012208 logG= -0.016103 TDE= -0.133826 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009555 tlogG= -0.005927 logG= -0.015482 Density= 0.135883 ETOT(band)= -0.001405 trlgG= -0.019774 logG= -0.015482 TDE= -0.134684 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009448 tlogG= -0.006761 logG= -0.016209 Density= 0.137584 ETOT(band)= 0.000376 trlgG= -0.018814 logG= -0.016209 TDE= -0.134628 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009764 tlogG= -0.006426 logG= -0.016191 Density= 0.143024 ETOT(band)= 0.004331 trlgG= -0.015053 logG= -0.016191 TDE= -0.136106 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018992 tlogG= -0.011787 logG= -0.030778 Density= 0.277995 ETOT(band)= 0.004154 trlgG= -0.032635 logG= -0.030778 TDE= -0.268617 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019009 tlogG= -0.011935 logG= -0.030944 Density= 0.278351 ETOT(band)= 0.004211 trlgG= -0.032786 logG= -0.030944 TDE= -0.268945 logGD-logG0= -0.019113 tlogG= -0.011279 logG= -0.030392 Density= 0.275467 ETOT(band)= 0.001348 trlgG= -0.034859 logG= -0.030392 TDE= -0.268802 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019482 tlogG= -0.012592 logG= -0.032074 Density= 0.285101 ETOT(band)= 0.008286 trlgG= -0.030079 logG= -0.032074 TDE= -0.271585 logGD-logG0= -0.018886 tlogG= -0.013527 logG= -0.032414 logGD-logG0= -0.019099 tlogG= -0.010669 logG= -0.029768 Density= 0.271336 ETOT(band)= -0.002106 trlgG= -0.037711 logG= -0.029768 TDE= -0.268313 Density= 0.275335 ETOT(band)= 0.001376 trlgG= -0.036866 logG= -0.032414 TDE= -0.268660 logGD-logG0= -0.000387 tlogG= 0.008632 logG= 0.008245 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.005722 ETOT(band)= 0.000069 trlgG= 0.008209 logG= 0.008245 TDE= -0.005527 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018817 tlogG= -0.013574 logG= -0.032391 Density= 0.275994 ETOT(band)= 0.003197 trlgG= -0.034629 logG= -0.032391 TDE= -0.267078 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019240 tlogG= -0.011890 logG= -0.031130 logGD-logG0= -0.019143 tlogG= -0.010368 logG= -0.029511 Density= 0.281484 ETOT(band)= 0.006974 trlgG= -0.030186 logG= -0.031130 TDE= -0.269164 Density= 0.274434 ETOT(band)= 0.002016 trlgG= -0.033269 logG= -0.029511 TDE= -0.267101 logGD-logG0= -0.019199 tlogG= -0.010000 logG= -0.029199 Density= 0.263927 ETOT(band)= -0.008415 trlgG= -0.043134 logG= -0.029199 TDE= -0.267196 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019529 tlogG= -0.012574 logG= -0.032103 Density= 0.289496 ETOT(band)= 0.014827 trlgG= -0.023431 logG= -0.032103 TDE= -0.269124 logGD-logG0= -0.018989 tlogG= -0.012086 logG= -0.031075 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019204 tlogG= -0.010288 logG= -0.029491 Density= 0.278010 ETOT(band)= 0.004602 trlgG= -0.030776 logG= -0.029491 TDE= -0.268059 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278168 ETOT(band)= 0.004616 trlgG= -0.032308 logG= -0.031075 TDE= -0.268160 logGD-logG0= -0.019136 tlogG= -0.011500 logG= -0.030636 logGD-logG0= -0.004867 tlogG= -0.003519 logG= -0.008386 Density= 0.270137 ETOT(band)= -0.004475 trlgG= -0.040896 logG= -0.030636 TDE= -0.269480 Density= 0.074729 ETOT(band)= 0.005000 trlgG= -0.005039 logG= -0.008386 TDE= -0.068362 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018921 tlogG= -0.012177 logG= -0.031098 logGD-logG0= -0.018917 tlogG= -0.011466 logG= -0.030383 Density= 0.278997 ETOT(band)= 0.006592 trlgG= -0.030140 logG= -0.031098 TDE= -0.266765 Density= 0.276528 ETOT(band)= 0.004005 trlgG= -0.032191 logG= -0.030383 TDE= -0.267161 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019346 tlogG= -0.011736 logG= -0.031082 Density= 0.280291 ETOT(band)= 0.004519 trlgG= -0.032689 logG= -0.031082 TDE= -0.270571 logGD-logG0= -0.009626 tlogG= -0.005113 logG= -0.014740 Density= 0.139916 ETOT(band)= 0.002914 trlgG= -0.014827 logG= -0.014740 TDE= -0.134349 logGD-logG0= -0.009632 tlogG= -0.004801 logG= -0.014433 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.130930 ETOT(band)= -0.005226 trlgG= -0.022391 logG= -0.014433 TDE= -0.133597 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009566 tlogG= -0.005359 logG= -0.014925 Density= 0.132960 ETOT(band)= -0.003820 trlgG= -0.021501 logG= -0.014925 TDE= -0.134164 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019235 tlogG= -0.009906 logG= -0.029142 Density= 0.266927 ETOT(band)= -0.006292 trlgG= -0.041009 logG= -0.029142 TDE= -0.268007 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019184 tlogG= -0.010427 logG= -0.029611 Density= 0.272256 ETOT(band)= -0.001796 trlgG= -0.037085 logG= -0.029611 TDE= -0.268728 logGD-logG0= -0.009785 tlogG= -0.005881 logG= -0.015665 Density= 0.143864 ETOT(band)= 0.006311 trlgG= -0.012421 logG= -0.015665 TDE= -0.134805 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019283 tlogG= -0.010971 logG= -0.030254 Density= 0.278044 ETOT(band)= 0.003658 trlgG= -0.032533 logG= -0.030254 TDE= -0.269086 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009587 tlogG= -0.005184 logG= -0.014771 Density= 0.136893 ETOT(band)= -0.000078 trlgG= -0.017642 logG= -0.014771 TDE= -0.134232 logGD-logG0= -0.009577 tlogG= -0.005402 logG= -0.014979 Density= 0.135889 ETOT(band)= -0.001242 trlgG= -0.018956 logG= -0.014979 TDE= -0.134375 logGD-logG0= -0.009567 tlogG= -0.005046 logG= -0.014613 Density= 0.136463 ETOT(band)= -0.000382 trlgG= -0.017700 logG= -0.014613 TDE= -0.134034 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004792 tlogG= -0.002610 logG= -0.007402 Density= 0.068652 ETOT(band)= 0.000106 trlgG= -0.008742 logG= -0.007402 TDE= -0.067217 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002436 tlogG= -0.001842 logG= -0.004278 Density= 0.036937 ETOT(band)= 0.002592 trlgG= -0.002479 logG= -0.004278 TDE= -0.033646 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002333 tlogG= -0.002323 logG= -0.004656 Density= 0.034905 ETOT(band)= 0.000967 trlgG= -0.004333 logG= -0.004656 TDE= -0.033171 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009324 tlogG= -0.008729 logG= -0.018053 Density= 0.139533 ETOT(band)= 0.003805 trlgG= -0.016700 logG= -0.018053 TDE= -0.132542 logGD-logG0= -0.009375 tlogG= -0.007663 logG= -0.017037 Density= 0.138687 ETOT(band)= 0.003008 trlgG= -0.016427 logG= -0.017037 TDE= -0.132471 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009437 tlogG= -0.007243 logG= -0.016679 Density= 0.141073 ETOT(band)= 0.005337 trlgG= -0.014028 logG= -0.016679 TDE= -0.132720 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009420 tlogG= -0.007315 logG= -0.016735 Density= 0.137677 ETOT(band)= 0.001750 trlgG= -0.017533 logG= -0.016735 TDE= -0.132911 logGD-logG0= -0.002379 tlogG= -0.001949 logG= -0.004328 Density= 0.035818 ETOT(band)= 0.001785 trlgG= -0.003211 logG= -0.004328 TDE= -0.033253 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004678 tlogG= -0.003977 logG= -0.008655 Density= 0.069990 ETOT(band)= 0.002202 trlgG= -0.007705 logG= -0.008655 TDE= -0.066211 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009386 tlogG= -0.008348 logG= -0.017733 Density= 0.140952 ETOT(band)= 0.005148 trlgG= -0.015175 logG= -0.017733 TDE= -0.132697 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009355 tlogG= -0.007891 logG= -0.017246 Density= 0.138948 ETOT(band)= 0.003381 trlgG= -0.016310 logG= -0.017246 TDE= -0.132397 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009665 tlogG= -0.007101 logG= -0.016765 Density= 0.144908 ETOT(band)= 0.008444 trlgG= -0.011153 logG= -0.016765 TDE= -0.133440 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009427 tlogG= -0.006801 logG= -0.016228 Density= 0.139443 ETOT(band)= 0.004028 trlgG= -0.014802 logG= -0.016228 TDE= -0.132381 logGD-logG0= -0.009477 tlogG= -0.006263 logG= -0.015740 Density= 0.137480 ETOT(band)= 0.001749 trlgG= -0.016825 logG= -0.015740 TDE= -0.133009 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009595 tlogG= -0.005238 logG= -0.014832 Density= 0.133726 ETOT(band)= -0.001928 trlgG= -0.019552 logG= -0.014832 TDE= -0.133041 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004771 tlogG= -0.002780 logG= -0.007551 Density= 0.068354 ETOT(band)= 0.000741 trlgG= -0.008196 logG= -0.007551 TDE= -0.066236 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009618 tlogG= -0.004937 logG= -0.014555 Density= 0.130734 ETOT(band)= -0.004710 trlgG= -0.021981 logG= -0.014555 TDE= -0.132877 logGD-logG0= -0.019086 tlogG= -0.013068 logG= -0.032154 Density= 0.284796 ETOT(band)= 0.012840 trlgG= -0.025047 logG= -0.032154 TDE= -0.266179 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009322 tlogG= -0.008959 logG= -0.018282 Density= 0.139724 ETOT(band)= 0.003991 trlgG= -0.016810 logG= -0.018282 TDE= -0.132606 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009480 tlogG= -0.007446 logG= -0.016926 Density= 0.142539 ETOT(band)= 0.006615 trlgG= -0.012996 logG= -0.016926 TDE= -0.132849 logGD-logG0= -0.018754 tlogG= -0.015591 logG= -0.034345 Density= 0.280593 ETOT(band)= 0.009303 trlgG= -0.030084 logG= -0.034345 TDE= -0.264992 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009794 tlogG= -0.006622 logG= -0.016416 Density= 0.145737 ETOT(band)= 0.008854 trlgG= -0.010704 logG= -0.016416 TDE= -0.134136 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018864 tlogG= -0.013797 logG= -0.032661 Density= 0.277759 ETOT(band)= 0.006466 trlgG= -0.031308 logG= -0.032661 TDE= -0.265181 logGD-logG0= -0.009648 tlogG= -0.005610 logG= -0.015258 Density= 0.141379 ETOT(band)= 0.005339 trlgG= -0.012947 logG= -0.015258 TDE= -0.133354 logGD-logG0= -0.019029 tlogG= -0.011518 logG= -0.030547 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.276927 ETOT(band)= 0.005896 trlgG= -0.030328 logG= -0.030547 TDE= -0.265516 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009461 tlogG= -0.006583 logG= -0.016044 Density= 0.140884 ETOT(band)= 0.005397 trlgG= -0.013441 logG= -0.016044 TDE= -0.132587 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002324 tlogG= 0.051905 logG= 0.049581 Density= 0.034483 ETOT(band)= 0.000556 trlgG= 0.049506 logG= 0.049581 TDE= -0.033164 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003099 tlogG= 0.069182 logG= 0.066083 logGD-logG0= -0.003108 tlogG= 0.069465 logG= 0.066357 Density= 0.045893 ETOT(band)= 0.000675 trlgG= 0.065907 logG= 0.066083 TDE= -0.044214 logGD-logG0= -0.003128 tlogG= 0.069864 logG= 0.066736 Density= 0.046316 ETOT(band)= 0.001097 trlgG= 0.067024 logG= 0.066736 TDE= -0.044156 Density= 0.046244 ETOT(band)= 0.000996 trlgG= 0.066529 logG= 0.066357 TDE= -0.044204 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004652 tlogG= 0.104024 logG= 0.099372 Density= 0.069208 ETOT(band)= 0.001343 trlgG= 0.099464 logG= 0.099372 TDE= -0.066319 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009320 tlogG= 0.208414 logG= 0.199094 Density= 0.138703 ETOT(band)= 0.003019 trlgG= 0.199557 logG= 0.199094 TDE= -0.132634 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009356 tlogG= 0.209115 logG= 0.199759 Density= 0.139205 ETOT(band)= 0.003544 trlgG= 0.200783 logG= 0.199759 TDE= -0.132555 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.56463494920307 eV TrLogG= -13.7248946181662 eV Ratio to renormalize= 0.999999999715 rho-rho_expected= 0.000000004565 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 32) Finished k-point number 33 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 76) Finished k-point number 77 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 82) Finished k-point number 83 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 26) Finished k-point number 27 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 56) Finished k-point number 57 1 with #bands= 18 95) Finished k-point number 96 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 94) Finished k-point number 95 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 99) Finished k-point number 100 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 102) Finished k-point number 103 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931263144802187 0.927933379504648 56) Finished k-point number 57 1 with #bands= 18 7) Finished k-point number 8 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 15) Finished k-point number 16 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 26) Finished k-point number 27 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 40) Finished k-point number 41 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 59) Finished k-point number 60 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 70) Finished k-point number 71 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 71) Finished k-point number 72 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0558526937359 Density= 15.9787237637030 16.0000000000000 EF 13.3279665258495 Density= 16.4778277970929 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97958756 0.95958756 0.477828 -0.212762E-01 1 0.96958756 0.95958710 0.237376 -0.212762E-01 2 0.96458733 0.95958733 0.111000 -0.212762E-01 3 0.96208733 0.95958722 0.458157E-01 -0.212763E-01 4 0.96083727 0.95958727 0.125378E-01 -0.212762E-01 5 0.96037142 0.95958727 0.371599E-06 -0.212762E-01 6 0.96037141 0.96037142 -0.345128E-10 0.371599E-06 Absolute convergence of |F(X)|. Difference in EF= 0.0106648073 EF set to : 13.0665175011 new EF (no-mixing): 13.0665175011 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001205 tlogG= -0.001247 logG= -0.002452 Density= 0.018971 ETOT(band)= 0.001231 trlgG= -0.001624 logG= -0.002452 TDE= -0.017391 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009615 tlogG= -0.009515 logG= -0.019129 Density= 0.151666 ETOT(band)= 0.010103 trlgG= -0.012255 logG= -0.019129 TDE= -0.138781 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002402 tlogG= -0.002400 logG= -0.004802 Density= 0.037892 ETOT(band)= 0.002557 trlgG= -0.003055 logG= -0.004802 TDE= -0.034644 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004803 tlogG= -0.004610 logG= -0.009413 Density= 0.075809 ETOT(band)= 0.005133 trlgG= -0.005896 logG= -0.009413 TDE= -0.069287 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002407 tlogG= -0.002076 logG= -0.004483 Density= 0.037452 ETOT(band)= 0.002601 trlgG= -0.002739 logG= -0.004483 TDE= -0.034224 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001572 tlogG= -0.001317 logG= -0.002889 Density= 0.022769 ETOT(band)= -0.000172 trlgG= -0.003504 logG= -0.002889 TDE= -0.022482 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009662 tlogG= -0.006679 logG= -0.016341 Density= 0.143889 ETOT(band)= 0.005031 trlgG= -0.014486 logG= -0.016341 TDE= -0.136332 logGD-logG0= -0.009641 tlogG= -0.008051 logG= -0.017692 Density= 0.150576 ETOT(band)= 0.010530 trlgG= -0.010510 logG= -0.017692 TDE= -0.137426 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009645 tlogG= -0.008656 logG= -0.018302 logGD-logG0= -0.004823 tlogG= -0.004189 logG= -0.009013 Density= 0.075482 ETOT(band)= 0.005181 trlgG= -0.005513 logG= -0.009013 TDE= -0.068991 Density= 0.150770 ETOT(band)= 0.010605 trlgG= -0.011062 logG= -0.018302 TDE= -0.137556 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009656 tlogG= -0.008789 logG= -0.018445 Density= 0.151206 ETOT(band)= 0.010584 trlgG= -0.011183 logG= -0.018445 TDE= -0.137952 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009616 tlogG= -0.007792 logG= -0.017408 Density= 0.149971 ETOT(band)= 0.010976 trlgG= -0.009747 logG= -0.017408 TDE= -0.136367 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019258 tlogG= -0.014761 logG= -0.034019 Density= 0.299366 ETOT(band)= 0.021118 trlgG= -0.019406 logG= -0.034019 TDE= -0.272889 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019281 tlogG= -0.015878 logG= -0.035159 Density= 0.301306 ETOT(band)= 0.020985 trlgG= -0.020874 logG= -0.035159 TDE= -0.275081 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009653 tlogG= -0.006632 logG= -0.016285 Density= 0.147364 ETOT(band)= 0.008558 trlgG= -0.010973 logG= -0.016285 TDE= -0.136212 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003137 tlogG= -0.002527 logG= -0.005664 Density= 0.045366 ETOT(band)= -0.000340 trlgG= -0.006932 logG= -0.005664 TDE= -0.044837 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003091 tlogG= -0.002603 logG= -0.005694 Density= 0.045867 ETOT(band)= 0.000572 trlgG= -0.005898 logG= -0.005694 TDE= -0.044253 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009423 tlogG= -0.007455 logG= -0.016878 Density= 0.136714 ETOT(band)= -0.000696 trlgG= -0.020390 logG= -0.016878 TDE= -0.134808 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003119 tlogG= -0.002554 logG= -0.005673 Density= 0.045596 ETOT(band)= 0.000065 trlgG= -0.006462 logG= -0.005673 TDE= -0.044578 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009415 tlogG= -0.007368 logG= -0.016783 logGD-logG0= -0.009400 tlogG= -0.007299 logG= -0.016700 Density= 0.136587 ETOT(band)= -0.000637 trlgG= -0.020253 logG= -0.016783 TDE= -0.134644 Density= 0.136633 ETOT(band)= -0.000246 trlgG= -0.019747 logG= -0.016700 TDE= -0.134265 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009433 tlogG= -0.006660 logG= -0.016094 Density= 0.137867 ETOT(band)= 0.000718 trlgG= -0.018305 logG= -0.016094 TDE= -0.134615 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009697 tlogG= -0.006514 logG= -0.016211 Density= 0.142489 ETOT(band)= 0.004324 trlgG= -0.014938 logG= -0.016211 TDE= -0.135569 logGD-logG0= -0.009379 tlogG= -0.007326 logG= -0.016705 Density= 0.136858 ETOT(band)= 0.000156 trlgG= -0.019265 logG= -0.016705 TDE= -0.133994 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009344 tlogG= -0.007360 logG= -0.016704 Density= 0.137293 ETOT(band)= 0.001049 trlgG= -0.018209 logG= -0.016704 TDE= -0.133357 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009528 tlogG= -0.006364 logG= -0.015892 Density= 0.140273 ETOT(band)= 0.003376 trlgG= -0.015317 logG= -0.015892 TDE= -0.134139 logGD-logG0= -0.009719 tlogG= -0.007142 logG= -0.016861 logGD-logG0= -0.009658 tlogG= -0.007555 logG= -0.017213 Density= 0.148997 ETOT(band)= 0.010826 trlgG= -0.009681 logG= -0.017213 TDE= -0.135560 Density= 0.147632 ETOT(band)= 0.009186 trlgG= -0.010945 logG= -0.016861 TDE= -0.135865 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009488 tlogG= -0.005941 logG= -0.015428 Density= 0.138065 ETOT(band)= 0.001029 trlgG= -0.017322 logG= -0.015428 TDE= -0.134487 logGD-logG0= -0.009441 tlogG= -0.006628 logG= -0.016069 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137814 ETOT(band)= 0.000744 trlgG= -0.018287 logG= -0.016069 TDE= -0.134571 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009405 tlogG= -0.006528 logG= -0.015933 Density= 0.137637 ETOT(band)= 0.000984 trlgG= -0.017824 logG= -0.015933 TDE= -0.134073 logGD-logG0= -0.004761 tlogG= -0.003098 logG= -0.007859 Density= 0.067583 ETOT(band)= -0.001230 trlgG= -0.010505 logG= -0.007859 TDE= -0.067551 logGD-logG0= -0.009428 tlogG= -0.006842 logG= -0.016270 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138429 ETOT(band)= 0.001653 trlgG= -0.017326 logG= -0.016270 TDE= -0.133999 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009511 tlogG= -0.005630 logG= -0.015141 Density= 0.133799 ETOT(band)= -0.003031 trlgG= -0.020957 logG= -0.015141 TDE= -0.134313 logGD-logG0= -0.009599 tlogG= -0.006577 logG= -0.016175 Density= 0.143475 ETOT(band)= 0.006765 trlgG= -0.012296 logG= -0.016175 TDE= -0.133910 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009426 tlogG= -0.006856 logG= -0.016282 Density= 0.137474 ETOT(band)= 0.000259 trlgG= -0.018967 logG= -0.016282 TDE= -0.134711 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004773 tlogG= -0.002572 logG= -0.007345 Density= 0.065353 ETOT(band)= -0.002698 trlgG= -0.011313 logG= -0.007345 TDE= -0.066731 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009375 tlogG= -0.006819 logG= -0.016193 Density= 0.139000 ETOT(band)= 0.002944 trlgG= -0.015850 logG= -0.016193 TDE= -0.133148 logGD-logG0= -0.009468 tlogG= -0.005619 logG= -0.015086 Density= 0.136918 ETOT(band)= 0.000419 trlgG= -0.017591 logG= -0.015086 TDE= -0.133997 logGD-logG0= -0.009531 tlogG= -0.006019 logG= -0.015550 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.135849 ETOT(band)= -0.001446 trlgG= -0.019839 logG= -0.015550 TDE= -0.134754 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009504 tlogG= -0.006139 logG= -0.015643 Density= 0.138632 ETOT(band)= 0.001563 trlgG= -0.016924 logG= -0.015643 TDE= -0.134419 logGD-logG0= -0.019445 tlogG= -0.012773 logG= -0.032218 Density= 0.285181 ETOT(band)= 0.008343 trlgG= -0.030090 logG= -0.032218 TDE= -0.271751 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018840 tlogG= -0.013710 logG= -0.032549 Density= 0.275114 ETOT(band)= 0.001141 trlgG= -0.037165 logG= -0.032549 TDE= -0.268827 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009740 tlogG= -0.006522 logG= -0.016263 Density= 0.143144 ETOT(band)= 0.004440 trlgG= -0.014981 logG= -0.016263 TDE= -0.136189 logGD-logG0= -0.018950 tlogG= -0.011971 logG= -0.030921 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.277907 ETOT(band)= 0.004050 trlgG= -0.032810 logG= -0.030921 TDE= -0.268783 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019067 tlogG= -0.011451 logG= -0.030518 logGD-logG0= -0.018968 tlogG= -0.012115 logG= -0.031083 Density= 0.278221 ETOT(band)= 0.004062 trlgG= -0.032999 logG= -0.031083 TDE= -0.269111 Density= 0.275449 ETOT(band)= 0.001308 trlgG= -0.034952 logG= -0.030518 TDE= -0.268968 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018948 tlogG= -0.012267 logG= -0.031215 Density= 0.278029 ETOT(band)= 0.004460 trlgG= -0.032530 logG= -0.031215 TDE= -0.268326 logGD-logG0= -0.000386 tlogG= 0.008635 logG= 0.008250 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.005716 ETOT(band)= 0.000062 trlgG= 0.008208 logG= 0.008250 TDE= -0.005530 logGD-logG0= -0.019139 tlogG= -0.010176 logG= -0.029315 Density= 0.264066 ETOT(band)= -0.008299 trlgG= -0.043076 logG= -0.029315 TDE= -0.267363 logGD-logG0= -0.019050 tlogG= -0.010852 logG= -0.029901 Density= 0.271590 ETOT(band)= -0.001870 trlgG= -0.037554 logG= -0.029901 TDE= -0.268479 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019164 tlogG= -0.010461 logG= -0.029625 logGD-logG0= -0.018880 tlogG= -0.012358 logG= -0.031238 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278409 ETOT(band)= 0.004974 trlgG= -0.030474 logG= -0.029625 TDE= -0.268225 Density= 0.278899 ETOT(band)= 0.006478 trlgG= -0.030351 logG= -0.031238 TDE= -0.266959 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004853 tlogG= -0.003573 logG= -0.008426 Density= 0.074818 ETOT(band)= 0.005087 trlgG= -0.004976 logG= -0.008426 TDE= -0.068404 logGD-logG0= -0.019483 tlogG= -0.012767 logG= -0.032250 Density= 0.289577 ETOT(band)= 0.014891 trlgG= -0.023438 logG= -0.032250 TDE= -0.269290 logGD-logG0= -0.019205 tlogG= -0.012069 logG= -0.031273 Density= 0.281474 ETOT(band)= 0.006943 trlgG= -0.030285 logG= -0.031273 TDE= -0.269331 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018769 tlogG= -0.013758 logG= -0.032527 Density= 0.275754 ETOT(band)= 0.002945 trlgG= -0.034945 logG= -0.032527 TDE= -0.267245 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019087 tlogG= -0.011686 logG= -0.030772 Density= 0.270157 ETOT(band)= -0.004466 trlgG= -0.040941 logG= -0.030772 TDE= -0.269619 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009620 tlogG= -0.004871 logG= -0.014491 Density= 0.130941 ETOT(band)= -0.005229 trlgG= -0.022432 logG= -0.014491 TDE= -0.133693 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009537 tlogG= -0.005457 logG= -0.014994 Density= 0.133093 ETOT(band)= -0.003693 trlgG= -0.021409 logG= -0.014994 TDE= -0.134233 logGD-logG0= -0.009606 tlogG= -0.005202 logG= -0.014808 Density= 0.140064 ETOT(band)= 0.003048 trlgG= -0.014726 logG= -0.014808 TDE= -0.134432 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019097 tlogG= -0.010540 logG= -0.029637 logGD-logG0= -0.018870 tlogG= -0.011637 logG= -0.030507 Density= 0.276555 ETOT(band)= 0.004016 trlgG= -0.032239 logG= -0.030507 TDE= -0.267327 Density= 0.274961 ETOT(band)= 0.002515 trlgG= -0.032867 logG= -0.029637 TDE= -0.267295 logGD-logG0= -0.019306 tlogG= -0.011915 logG= -0.031221 Density= 0.280288 ETOT(band)= 0.004495 trlgG= -0.032777 logG= -0.031221 TDE= -0.270737 logGD-logG0= -0.019135 tlogG= -0.010608 logG= -0.029743 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009756 tlogG= -0.005981 logG= -0.015738 Density= 0.144046 ETOT(band)= 0.006484 trlgG= -0.012289 logG= -0.015738 TDE= -0.134888 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.272518 ETOT(band)= -0.001555 trlgG= -0.036919 logG= -0.029743 TDE= -0.268894 logGD-logG0= -0.019241 tlogG= -0.011147 logG= -0.030388 Density= 0.278321 ETOT(band)= 0.003915 trlgG= -0.032349 logG= -0.030388 TDE= -0.269252 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019180 tlogG= -0.010086 logG= -0.029266 Density= 0.267303 ETOT(band)= -0.005943 trlgG= -0.040729 logG= -0.029266 TDE= -0.268174 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009552 tlogG= -0.005493 logG= -0.015045 Density= 0.135902 ETOT(band)= -0.001236 trlgG= -0.018975 logG= -0.015045 TDE= -0.134446 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009564 tlogG= -0.005275 logG= -0.014838 Density= 0.136977 ETOT(band)= -0.000003 trlgG= -0.017605 logG= -0.014838 TDE= -0.134316 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009544 tlogG= -0.005138 logG= -0.014683 Density= 0.136478 ETOT(band)= -0.000376 trlgG= -0.017730 logG= -0.014683 TDE= -0.134117 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004781 tlogG= -0.002656 logG= -0.007437 Density= 0.068637 ETOT(band)= 0.000087 trlgG= -0.008779 logG= -0.007437 TDE= -0.067259 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002428 tlogG= -0.001869 logG= -0.004297 Density= 0.036959 ETOT(band)= 0.002612 trlgG= -0.002469 logG= -0.004297 TDE= -0.033666 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002327 tlogG= -0.002346 logG= -0.004673 Density= 0.034874 ETOT(band)= 0.000935 trlgG= -0.004372 logG= -0.004673 TDE= -0.033192 logGD-logG0= -0.009301 tlogG= -0.008819 logG= -0.018120 Density= 0.139404 ETOT(band)= 0.003671 trlgG= -0.016865 logG= -0.018120 TDE= -0.132626 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009397 tlogG= -0.007408 logG= -0.016805 Density= 0.137534 ETOT(band)= 0.001603 trlgG= -0.017715 logG= -0.016805 TDE= -0.132994 logGD-logG0= -0.002375 tlogG= -0.001971 logG= -0.004346 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.035797 ETOT(band)= 0.001762 trlgG= -0.003243 logG= -0.004346 TDE= -0.033275 logGD-logG0= -0.009366 tlogG= -0.008436 logG= -0.017802 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.140850 ETOT(band)= 0.005040 trlgG= -0.015315 logG= -0.017802 TDE= -0.132781 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009351 tlogG= -0.007754 logG= -0.017105 Density= 0.138548 ETOT(band)= 0.002864 trlgG= -0.016602 logG= -0.017105 TDE= -0.132555 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009418 tlogG= -0.007331 logG= -0.016749 Density= 0.140983 ETOT(band)= 0.005239 trlgG= -0.014170 logG= -0.016749 TDE= -0.132817 logGD-logG0= -0.009333 tlogG= -0.007982 logG= -0.017315 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.138814 ETOT(band)= 0.003242 trlgG= -0.016483 logG= -0.017315 TDE= -0.132481 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004668 tlogG= -0.004024 logG= -0.008692 Density= 0.069931 ETOT(band)= 0.002141 trlgG= -0.007785 logG= -0.008692 TDE= -0.066253 logGD-logG0= -0.009651 tlogG= -0.007187 logG= -0.016838 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.144828 ETOT(band)= 0.008355 trlgG= -0.011273 logG= -0.016838 TDE= -0.133523 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009404 tlogG= -0.006890 logG= -0.016294 Density= 0.139342 ETOT(band)= 0.003919 trlgG= -0.014953 logG= -0.016294 TDE= -0.132478 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019053 tlogG= -0.013246 logG= -0.032298 Density= 0.284687 ETOT(band)= 0.012714 trlgG= -0.025266 logG= -0.032298 TDE= -0.266373 logGD-logG0= -0.009455 tlogG= -0.006357 logG= -0.015812 Density= 0.137425 ETOT(band)= 0.001689 trlgG= -0.016926 logG= -0.015812 TDE= -0.133092 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018711 tlogG= -0.015770 logG= -0.034481 Density= 0.280374 ETOT(band)= 0.009072 trlgG= -0.030390 logG= -0.034481 TDE= -0.265173 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004759 tlogG= -0.002826 logG= -0.007584 Density= 0.068467 ETOT(band)= 0.000852 trlgG= -0.008116 logG= -0.007584 TDE= -0.066285 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018821 tlogG= -0.013981 logG= -0.032802 logGD-logG0= -0.009566 tlogG= -0.005326 logG= -0.014892 Density= 0.277527 ETOT(band)= 0.006223 trlgG= -0.031648 logG= -0.032802 TDE= -0.265375 Density= 0.133880 ETOT(band)= -0.001781 trlgG= -0.019442 logG= -0.014892 TDE= -0.133124 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009606 tlogG= -0.005008 logG= -0.014614 Density= 0.130720 ETOT(band)= -0.004737 trlgG= -0.022048 logG= -0.014614 TDE= -0.132973 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009300 tlogG= -0.009049 logG= -0.018349 Density= 0.139600 ETOT(band)= 0.003862 trlgG= -0.016970 logG= -0.018349 TDE= -0.132689 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009765 tlogG= -0.006726 logG= -0.016491 Density= 0.145737 ETOT(band)= 0.008846 trlgG= -0.010749 logG= -0.016491 TDE= -0.134219 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009463 tlogG= -0.007534 logG= -0.016996 Density= 0.142459 ETOT(band)= 0.006527 trlgG= -0.013128 logG= -0.016996 TDE= -0.132945 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018988 tlogG= -0.011702 logG= -0.030690 Density= 0.277080 ETOT(band)= 0.006038 trlgG= -0.030300 logG= -0.030690 TDE= -0.265710 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009631 tlogG= -0.005698 logG= -0.015329 Density= 0.141559 ETOT(band)= 0.005509 trlgG= -0.012831 logG= -0.015329 TDE= -0.133452 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009441 tlogG= -0.006672 logG= -0.016113 Density= 0.140816 ETOT(band)= 0.005322 trlgG= -0.013561 logG= -0.016113 TDE= -0.132684 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003120 tlogG= 0.069893 logG= 0.066773 logGD-logG0= -0.003090 tlogG= 0.069211 logG= 0.066121 Density= 0.045844 ETOT(band)= 0.000623 trlgG= 0.065906 logG= 0.066121 TDE= -0.044242 Density= 0.046269 ETOT(band)= 0.001049 trlgG= 0.067025 logG= 0.066773 TDE= -0.044184 logGD-logG0= -0.003100 tlogG= 0.069494 logG= 0.066394 Density= 0.046197 ETOT(band)= 0.000947 trlgG= 0.066529 logG= 0.066394 TDE= -0.044231 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002318 tlogG= 0.051927 logG= 0.049609 Density= 0.034446 ETOT(band)= 0.000518 trlgG= 0.049505 logG= 0.049609 TDE= -0.033185 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009296 tlogG= 0.208502 logG= 0.199205 Density= 0.138565 ETOT(band)= 0.002876 trlgG= 0.199562 logG= 0.199205 TDE= -0.132717 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004640 tlogG= 0.104068 logG= 0.099428 Density= 0.069136 ETOT(band)= 0.001269 trlgG= 0.099463 logG= 0.099428 TDE= -0.066361 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009332 tlogG= 0.209202 logG= 0.199870 Density= 0.139071 ETOT(band)= 0.003406 trlgG= 0.200792 logG= 0.199870 TDE= -0.132638 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.55258343513739 eV TrLogG= -13.7850978449980 eV Ratio to renormalize= 0.999999999722 rho-rho_expected= 0.000000004451 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 25) Finished k-point number 26 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 23) Finished k-point number 24 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 61) Finished k-point number 62 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 55) Finished k-point number 56 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 58) Finished k-point number 59 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 93) Finished k-point number 94 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 92) Finished k-point number 93 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 75) Finished k-point number 76 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 102) Finished k-point number 103 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931332573233163 0.927931478946271 7) Finished k-point number 8 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 28) Finished k-point number 29 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 11) Finished k-point number 12 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 2) Finished k-point number 3 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 20 8) Finished k-point number 9 1 with #bands= 26 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 26 87) Finished k-point number 88 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0665175010634 Density= 16.0025240551281 16.0000000000000 EF 12.7944036689498 Density= 15.3721096312729 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96037141 0.94037141 0.252406E-02 -0.627890 1 0.96029133 0.94037141 0.364473E-03 -0.627890 2 0.96027783 0.96029133 -0.185828E-07 0.364473E-03 3 0.96027783 0.96027783 0.169109E-11 -0.185828E-07 Absolute convergence of |F(X)|. Difference in EF= -0.0012732476 EF set to : 13.0652442535 new EF (no-mixing): 13.0652442535 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001205 tlogG= -0.001247 logG= -0.002452 Density= 0.018972 ETOT(band)= 0.001230 trlgG= -0.001624 logG= -0.002452 TDE= -0.017391 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002402 tlogG= -0.002399 logG= -0.004801 Density= 0.037894 ETOT(band)= 0.002556 trlgG= -0.003055 logG= -0.004801 TDE= -0.034643 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004803 tlogG= -0.004610 logG= -0.009413 Density= 0.075813 ETOT(band)= 0.005131 trlgG= -0.005896 logG= -0.009413 TDE= -0.069285 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009614 tlogG= -0.009515 logG= -0.019129 Density= 0.151674 ETOT(band)= 0.010099 trlgG= -0.012256 logG= -0.019129 TDE= -0.138777 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009662 tlogG= -0.006679 logG= -0.016340 Density= 0.143877 ETOT(band)= 0.005008 trlgG= -0.014507 logG= -0.016340 TDE= -0.136329 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001572 tlogG= -0.001316 logG= -0.002888 logGD-logG0= -0.009641 tlogG= -0.008050 logG= -0.017690 Density= 0.150585 ETOT(band)= 0.010528 trlgG= -0.010509 logG= -0.017690 TDE= -0.137423 Density= 0.022770 ETOT(band)= -0.000173 trlgG= -0.003504 logG= -0.002888 TDE= -0.022482 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009615 tlogG= -0.007791 logG= -0.017407 Density= 0.149980 ETOT(band)= 0.010973 trlgG= -0.009747 logG= -0.017407 TDE= -0.136363 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009656 tlogG= -0.008788 logG= -0.018443 Density= 0.151215 ETOT(band)= 0.010581 trlgG= -0.011183 logG= -0.018443 TDE= -0.137948 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019257 tlogG= -0.014760 logG= -0.034017 Density= 0.299373 ETOT(band)= 0.021101 trlgG= -0.019418 logG= -0.034017 TDE= -0.272882 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019280 tlogG= -0.015877 logG= -0.035157 Density= 0.301323 ETOT(band)= 0.020977 trlgG= -0.020877 logG= -0.035157 TDE= -0.275074 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009653 tlogG= -0.006631 logG= -0.016284 Density= 0.147368 ETOT(band)= 0.008550 trlgG= -0.010978 logG= -0.016284 TDE= -0.136208 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.002406 tlogG= -0.002076 logG= -0.004483 Density= 0.037455 ETOT(band)= 0.002600 trlgG= -0.002739 logG= -0.004483 TDE= -0.034223 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003137 tlogG= -0.002527 logG= -0.005664 Density= 0.045368 ETOT(band)= -0.000342 trlgG= -0.006934 logG= -0.005664 TDE= -0.044836 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003091 tlogG= -0.002603 logG= -0.005694 Density= 0.045868 ETOT(band)= 0.000569 trlgG= -0.005901 logG= -0.005694 TDE= -0.044253 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003119 tlogG= -0.002553 logG= -0.005671 Density= 0.045597 ETOT(band)= 0.000062 trlgG= -0.006463 logG= -0.005671 TDE= -0.044578 logGD-logG0= -0.009423 tlogG= -0.007454 logG= -0.016877 Density= 0.136720 ETOT(band)= -0.000703 trlgG= -0.020395 logG= -0.016877 TDE= -0.134806 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009415 tlogG= -0.007368 logG= -0.016783 Density= 0.136592 ETOT(band)= -0.000645 trlgG= -0.020259 logG= -0.016783 TDE= -0.134642 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004823 tlogG= -0.004189 logG= -0.009012 Density= 0.075486 ETOT(band)= 0.005179 trlgG= -0.005513 logG= -0.009012 TDE= -0.068989 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009645 tlogG= -0.008655 logG= -0.018300 Density= 0.150779 ETOT(band)= 0.010602 trlgG= -0.011062 logG= -0.018300 TDE= -0.137552 logGD-logG0= -0.009400 tlogG= -0.007297 logG= -0.016697 Density= 0.136637 ETOT(band)= -0.000254 trlgG= -0.019750 logG= -0.016697 TDE= -0.134263 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009344 tlogG= -0.007362 logG= -0.016706 Density= 0.137297 ETOT(band)= 0.001040 trlgG= -0.018218 logG= -0.016706 TDE= -0.133356 logGD-logG0= -0.009432 tlogG= -0.006656 logG= -0.016088 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137871 ETOT(band)= 0.000710 trlgG= -0.018306 logG= -0.016088 TDE= -0.134613 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009658 tlogG= -0.007554 logG= -0.017212 Density= 0.149006 ETOT(band)= 0.010823 trlgG= -0.009681 logG= -0.017212 TDE= -0.135557 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009719 tlogG= -0.007141 logG= -0.016859 logGD-logG0= -0.009697 tlogG= -0.006514 logG= -0.016211 Density= 0.142482 ETOT(band)= 0.004307 trlgG= -0.014954 logG= -0.016211 TDE= -0.135566 Density= 0.147638 ETOT(band)= 0.009180 trlgG= -0.010948 logG= -0.016859 TDE= -0.135862 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009404 tlogG= -0.006527 logG= -0.015931 Density= 0.137640 ETOT(band)= 0.000974 trlgG= -0.017829 logG= -0.015931 TDE= -0.134070 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009379 tlogG= -0.007329 logG= -0.016708 Density= 0.136862 ETOT(band)= 0.000148 trlgG= -0.019274 logG= -0.016708 TDE= -0.133992 logGD-logG0= -0.009528 tlogG= -0.006361 logG= -0.015889 Density= 0.140269 ETOT(band)= 0.003360 trlgG= -0.015328 logG= -0.015889 TDE= -0.134136 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009487 tlogG= -0.005940 logG= -0.015427 Density= 0.138064 ETOT(band)= 0.001016 trlgG= -0.017331 logG= -0.015427 TDE= -0.134484 logGD-logG0= -0.009441 tlogG= -0.006625 logG= -0.016066 Density= 0.137817 ETOT(band)= 0.000736 trlgG= -0.018292 logG= -0.016066 TDE= -0.134568 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009375 tlogG= -0.006820 logG= -0.016195 logGD-logG0= -0.009428 tlogG= -0.006843 logG= -0.016271 Density= 0.138431 ETOT(band)= 0.001644 trlgG= -0.017336 logG= -0.016271 TDE= -0.133997 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.139001 ETOT(band)= 0.002933 trlgG= -0.015861 logG= -0.016195 TDE= -0.133146 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009598 tlogG= -0.006577 logG= -0.016175 Density= 0.143472 ETOT(band)= 0.006750 trlgG= -0.012309 logG= -0.016175 TDE= -0.133907 logGD-logG0= -0.009467 tlogG= -0.005620 logG= -0.015087 Density= 0.136917 ETOT(band)= 0.000406 trlgG= -0.017603 logG= -0.015087 TDE= -0.133995 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004773 tlogG= -0.002575 logG= -0.007348 Density= 0.065354 ETOT(band)= -0.002703 trlgG= -0.011321 logG= -0.007348 TDE= -0.066730 logGD-logG0= -0.009511 tlogG= -0.005631 logG= -0.015142 logGD-logG0= -0.009425 tlogG= -0.006857 logG= -0.016282 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.133807 ETOT(band)= -0.003036 trlgG= -0.020961 logG= -0.015142 TDE= -0.134311 Density= 0.137478 ETOT(band)= 0.000250 trlgG= -0.018974 logG= -0.016282 TDE= -0.134709 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009504 tlogG= -0.006140 logG= -0.015644 Density= 0.138630 ETOT(band)= 0.001550 trlgG= -0.016937 logG= -0.015644 TDE= -0.134416 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009531 tlogG= -0.006019 logG= -0.015550 Density= 0.135851 ETOT(band)= -0.001456 trlgG= -0.019847 logG= -0.015550 TDE= -0.134752 logGD-logG0= -0.009740 tlogG= -0.006523 logG= -0.016263 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.143127 ETOT(band)= 0.004412 trlgG= -0.015008 logG= -0.016263 TDE= -0.136186 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019444 tlogG= -0.012770 logG= -0.032215 Density= 0.285173 ETOT(band)= 0.008313 trlgG= -0.030114 logG= -0.032215 TDE= -0.271745 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019046 tlogG= -0.010850 logG= -0.029896 Density= 0.271582 ETOT(band)= -0.001904 trlgG= -0.037577 logG= -0.029896 TDE= -0.268475 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018948 tlogG= -0.011965 logG= -0.030913 logGD-logG0= -0.019070 tlogG= -0.011460 logG= -0.030529 Density= 0.275431 ETOT(band)= 0.001270 trlgG= -0.035001 logG= -0.030529 TDE= -0.268963 Density= 0.277904 ETOT(band)= 0.004022 trlgG= -0.032827 logG= -0.030913 TDE= -0.268778 logGD-logG0= -0.019203 tlogG= -0.012067 logG= -0.031270 logGD-logG0= -0.004853 tlogG= -0.003572 logG= -0.008425 Density= 0.281460 ETOT(band)= 0.006905 trlgG= -0.030315 logG= -0.031270 TDE= -0.269325 Density= 0.074821 ETOT(band)= 0.005084 trlgG= -0.004978 logG= -0.008425 TDE= -0.068402 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018880 tlogG= -0.012356 logG= -0.031236 Density= 0.278896 ETOT(band)= 0.006452 trlgG= -0.030373 logG= -0.031236 TDE= -0.266954 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018948 tlogG= -0.012271 logG= -0.031219 Density= 0.278029 ETOT(band)= 0.004437 trlgG= -0.032555 logG= -0.031219 TDE= -0.268321 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018967 tlogG= -0.012117 logG= -0.031084 Density= 0.278221 ETOT(band)= 0.004039 trlgG= -0.033021 logG= -0.031084 TDE= -0.269106 logGD-logG0= -0.009618 tlogG= -0.004871 logG= -0.014489 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.130924 ETOT(band)= -0.005257 trlgG= -0.022456 logG= -0.014489 TDE= -0.133690 logGD-logG0= -0.019140 tlogG= -0.010181 logG= -0.029321 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.264063 ETOT(band)= -0.008323 trlgG= -0.043106 logG= -0.029321 TDE= -0.267358 logGD-logG0= -0.009537 tlogG= -0.005459 logG= -0.014997 Density= 0.133094 ETOT(band)= -0.003704 trlgG= -0.021421 logG= -0.014997 TDE= -0.134231 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000386 tlogG= 0.008635 logG= 0.008249 Density= 0.005716 ETOT(band)= 0.000062 trlgG= 0.008207 logG= 0.008249 TDE= -0.005530 logGD-logG0= -0.019162 tlogG= -0.010467 logG= -0.029628 Density= 0.278393 ETOT(band)= 0.004934 trlgG= -0.030514 logG= -0.029628 TDE= -0.268220 logGD-logG0= -0.018871 tlogG= -0.011644 logG= -0.030516 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.276557 ETOT(band)= 0.003995 trlgG= -0.032267 logG= -0.030516 TDE= -0.267323 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019086 tlogG= -0.011687 logG= -0.030773 Density= 0.270168 ETOT(band)= -0.004480 trlgG= -0.040952 logG= -0.030773 TDE= -0.269615 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019483 tlogG= -0.012763 logG= -0.032246 Density= 0.289576 ETOT(band)= 0.014867 trlgG= -0.023456 logG= -0.032246 TDE= -0.269284 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019098 tlogG= -0.010543 logG= -0.029641 Density= 0.274941 ETOT(band)= 0.002475 trlgG= -0.032911 logG= -0.029641 TDE= -0.267290 logGD-logG0= -0.019306 tlogG= -0.011919 logG= -0.031225 Density= 0.280274 ETOT(band)= 0.004459 trlgG= -0.032815 logG= -0.031225 TDE= -0.270731 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009606 tlogG= -0.005200 logG= -0.014806 Density= 0.140050 ETOT(band)= 0.003023 trlgG= -0.014748 logG= -0.014806 TDE= -0.134429 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019241 tlogG= -0.011148 logG= -0.030388 Density= 0.278329 ETOT(band)= 0.003900 trlgG= -0.032362 logG= -0.030388 TDE= -0.269247 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019136 tlogG= -0.010611 logG= -0.029747 Density= 0.272505 ETOT(band)= -0.001590 trlgG= -0.036955 logG= -0.029747 TDE= -0.268889 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009756 tlogG= -0.005980 logG= -0.015737 Density= 0.144041 ETOT(band)= 0.006468 trlgG= -0.012302 logG= -0.015737 TDE= -0.134885 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019179 tlogG= -0.010090 logG= -0.029269 Density= 0.267292 ETOT(band)= -0.005978 trlgG= -0.040764 logG= -0.029269 TDE= -0.268169 logGD-logG0= -0.009553 tlogG= -0.005495 logG= -0.015048 Density= 0.135903 ETOT(band)= -0.001246 trlgG= -0.018987 logG= -0.015048 TDE= -0.134444 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009545 tlogG= -0.005139 logG= -0.014683 Density= 0.136479 ETOT(band)= -0.000386 trlgG= -0.017740 logG= -0.014683 TDE= -0.134115 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009564 tlogG= -0.005275 logG= -0.014838 Density= 0.136975 ETOT(band)= -0.000017 trlgG= -0.017618 logG= -0.014838 TDE= -0.134313 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004781 tlogG= -0.002656 logG= -0.007437 Density= 0.068637 ETOT(band)= 0.000081 trlgG= -0.008784 logG= -0.007437 TDE= -0.067257 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002428 tlogG= -0.001869 logG= -0.004297 Density= 0.036960 ETOT(band)= 0.002610 trlgG= -0.002470 logG= -0.004297 TDE= -0.033666 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002327 tlogG= -0.002346 logG= -0.004673 Density= 0.034875 ETOT(band)= 0.000932 trlgG= -0.004375 logG= -0.004673 TDE= -0.033191 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004761 tlogG= -0.003098 logG= -0.007860 Density= 0.067585 ETOT(band)= -0.001234 trlgG= -0.010509 logG= -0.007860 TDE= -0.067550 logGD-logG0= -0.009301 tlogG= -0.008819 logG= -0.018120 Density= 0.139406 ETOT(band)= 0.003660 trlgG= -0.016875 logG= -0.018120 TDE= -0.132624 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009396 tlogG= -0.007408 logG= -0.016804 Density= 0.137539 ETOT(band)= 0.001594 trlgG= -0.017721 logG= -0.016804 TDE= -0.132992 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009651 tlogG= -0.007186 logG= -0.016838 Density= 0.144827 ETOT(band)= 0.008342 trlgG= -0.011283 logG= -0.016838 TDE= -0.133520 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009417 tlogG= -0.007331 logG= -0.016748 Density= 0.140982 ETOT(band)= 0.005225 trlgG= -0.014181 logG= -0.016748 TDE= -0.132815 logGD-logG0= -0.002375 tlogG= -0.001971 logG= -0.004346 logGD-logG0= -0.009350 tlogG= -0.007753 logG= -0.017103 Density= 0.138551 ETOT(band)= 0.002853 trlgG= -0.016608 logG= -0.017103 TDE= -0.132553 Density= 0.035796 ETOT(band)= 0.001759 trlgG= -0.003246 logG= -0.004346 TDE= -0.033274 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009366 tlogG= -0.008436 logG= -0.017802 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.140850 ETOT(band)= 0.005028 trlgG= -0.015325 logG= -0.017802 TDE= -0.132779 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009332 tlogG= -0.007983 logG= -0.017315 Density= 0.138816 ETOT(band)= 0.003232 trlgG= -0.016492 logG= -0.017315 TDE= -0.132479 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004668 tlogG= -0.004023 logG= -0.008691 Density= 0.069932 ETOT(band)= 0.002135 trlgG= -0.007789 logG= -0.008691 TDE= -0.066252 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009405 tlogG= -0.006891 logG= -0.016296 Density= 0.139343 ETOT(band)= 0.003910 trlgG= -0.014964 logG= -0.016296 TDE= -0.132476 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018840 tlogG= -0.013709 logG= -0.032549 Density= 0.275121 ETOT(band)= 0.001124 trlgG= -0.037179 logG= -0.032549 TDE= -0.268822 logGD-logG0= -0.009608 tlogG= -0.005008 logG= -0.014616 Density= 0.130714 ETOT(band)= -0.004752 trlgG= -0.022065 logG= -0.014616 TDE= -0.132971 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009454 tlogG= -0.006355 logG= -0.015810 Density= 0.137429 ETOT(band)= 0.001680 trlgG= -0.016930 logG= -0.015810 TDE= -0.133090 logGD-logG0= -0.009566 tlogG= -0.005328 logG= -0.014894 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.133885 ETOT(band)= -0.001788 trlgG= -0.019450 logG= -0.014894 TDE= -0.133122 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004759 tlogG= -0.002827 logG= -0.007586 Density= 0.068466 ETOT(band)= 0.000846 trlgG= -0.008123 logG= -0.007586 TDE= -0.066284 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018770 tlogG= -0.013762 logG= -0.032532 Density= 0.275757 ETOT(band)= 0.002924 trlgG= -0.034969 logG= -0.032532 TDE= -0.267241 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019052 tlogG= -0.013245 logG= -0.032297 Density= 0.284681 ETOT(band)= 0.012683 trlgG= -0.025292 logG= -0.032297 TDE= -0.266367 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009462 tlogG= -0.007534 logG= -0.016996 Density= 0.142457 ETOT(band)= 0.006513 trlgG= -0.013140 logG= -0.016996 TDE= -0.132943 logGD-logG0= -0.009300 tlogG= -0.009049 logG= -0.018349 Density= 0.139602 ETOT(band)= 0.003851 trlgG= -0.016979 logG= -0.018349 TDE= -0.132687 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018711 tlogG= -0.015770 logG= -0.034481 Density= 0.280375 ETOT(band)= 0.009048 trlgG= -0.030412 logG= -0.034481 TDE= -0.265169 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009765 tlogG= -0.006725 logG= -0.016490 Density= 0.145737 ETOT(band)= 0.008834 trlgG= -0.010757 logG= -0.016490 TDE= -0.134216 logGD-logG0= -0.009630 tlogG= -0.005698 logG= -0.015328 logGD-logG0= -0.018987 tlogG= -0.011700 logG= -0.030688 Density= 0.141552 ETOT(band)= 0.005490 trlgG= -0.012847 logG= -0.015328 TDE= -0.133449 Density= 0.277081 ETOT(band)= 0.006015 trlgG= -0.030319 logG= -0.030688 TDE= -0.265706 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009441 tlogG= -0.006671 logG= -0.016112 Density= 0.140814 ETOT(band)= 0.005308 trlgG= -0.013573 logG= -0.016112 TDE= -0.132681 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003100 tlogG= 0.069487 logG= 0.066387 Density= 0.046198 ETOT(band)= 0.000944 trlgG= 0.066519 logG= 0.066387 TDE= -0.044231 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003120 tlogG= 0.069886 logG= 0.066766 Density= 0.046270 ETOT(band)= 0.001046 trlgG= 0.067015 logG= 0.066766 TDE= -0.044183 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003090 tlogG= 0.069204 logG= 0.066114 Density= 0.045845 ETOT(band)= 0.000620 trlgG= 0.065896 logG= 0.066114 TDE= -0.044241 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002318 tlogG= 0.051922 logG= 0.049604 Density= 0.034447 ETOT(band)= 0.000516 trlgG= 0.049498 logG= 0.049604 TDE= -0.033184 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004640 tlogG= 0.104057 logG= 0.099416 Density= 0.069138 ETOT(band)= 0.001265 trlgG= 0.099448 logG= 0.099416 TDE= -0.066360 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009332 tlogG= 0.209181 logG= 0.199848 Density= 0.139074 ETOT(band)= 0.003396 trlgG= 0.200762 logG= 0.199848 TDE= -0.132636 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.018820 tlogG= -0.013987 logG= -0.032807 Density= 0.277529 ETOT(band)= 0.006199 trlgG= -0.031672 logG= -0.032807 TDE= -0.265370 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009296 tlogG= 0.208480 logG= 0.199184 Density= 0.138568 ETOT(band)= 0.002866 trlgG= 0.199532 logG= 0.199184 TDE= -0.132716 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.53411283636939 eV TrLogG= -13.8026215904777 eV Ratio to renormalize= 0.999999999720 rho-rho_expected= 0.000000004487 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 51) Finished k-point number 52 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 16) Finished k-point number 17 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 58) Finished k-point number 59 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 62) Finished k-point number 63 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 60) Finished k-point number 61 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 91) Finished k-point number 92 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 92) Finished k-point number 93 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931351910518988 0.927964711995964 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 65) Finished k-point number 66 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0652442534752 Density= 16.0000766701958 16.0000000000000 EF 12.7931304213616 Density= 15.3688872515382 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96027783 0.94027783 0.766702E-04 -0.631113 1 0.96027540 0.94027783 0.111070E-04 -0.631113 2 0.96027499 0.96027540 -0.179199E-10 0.111070E-04 Absolute convergence of |F(X)|. Difference in EF= -0.0000386529 EF set to : 13.0652056005 new EF (no-mixing): 13.0652056005 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001205 tlogG= -0.001247 logG= -0.002452 Density= 0.018972 ETOT(band)= 0.001230 trlgG= -0.001624 logG= -0.002452 TDE= -0.017391 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009614 tlogG= -0.009514 logG= -0.019128 Density= 0.151674 ETOT(band)= 0.010098 trlgG= -0.012256 logG= -0.019128 TDE= -0.138777 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002402 tlogG= -0.002399 logG= -0.004801 Density= 0.037894 ETOT(band)= 0.002556 trlgG= -0.003055 logG= -0.004801 TDE= -0.034643 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004803 tlogG= -0.004610 logG= -0.009413 Density= 0.075813 ETOT(band)= 0.005131 trlgG= -0.005896 logG= -0.009413 TDE= -0.069285 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002406 tlogG= -0.002076 logG= -0.004483 Density= 0.037455 ETOT(band)= 0.002600 trlgG= -0.002739 logG= -0.004483 TDE= -0.034223 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009645 tlogG= -0.008655 logG= -0.018300 Density= 0.150779 ETOT(band)= 0.010602 trlgG= -0.011062 logG= -0.018300 TDE= -0.137552 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001572 tlogG= -0.001316 logG= -0.002888 Density= 0.022770 ETOT(band)= -0.000173 trlgG= -0.003505 logG= -0.002888 TDE= -0.022482 logGD-logG0= -0.009641 tlogG= -0.008050 logG= -0.017691 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 Density= 0.150586 ETOT(band)= 0.010528 trlgG= -0.010509 logG= -0.017691 TDE= -0.137422 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004823 tlogG= -0.004188 logG= -0.009010 Density= 0.075484 ETOT(band)= 0.005177 trlgG= -0.005514 logG= -0.009010 TDE= -0.068989 logGD-logG0= -0.009662 tlogG= -0.006678 logG= -0.016340 Density= 0.143882 ETOT(band)= 0.005012 trlgG= -0.014502 logG= -0.016340 TDE= -0.136329 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009615 tlogG= -0.007791 logG= -0.017407 Density= 0.149980 ETOT(band)= 0.010973 trlgG= -0.009747 logG= -0.017407 TDE= -0.136363 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009656 tlogG= -0.008788 logG= -0.018444 Density= 0.151215 ETOT(band)= 0.010580 trlgG= -0.011184 logG= -0.018444 TDE= -0.137948 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019257 tlogG= -0.014760 logG= -0.034017 Density= 0.299377 ETOT(band)= 0.021105 trlgG= -0.019415 logG= -0.034017 TDE= -0.272882 logGD-logG0= -0.019280 tlogG= -0.015877 logG= -0.035157 Density= 0.301323 ETOT(band)= 0.020977 trlgG= -0.020877 logG= -0.035157 TDE= -0.275074 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009653 tlogG= -0.006631 logG= -0.016284 Density= 0.147368 ETOT(band)= 0.008549 trlgG= -0.010978 logG= -0.016284 TDE= -0.136208 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003137 tlogG= -0.002527 logG= -0.005664 Density= 0.045368 ETOT(band)= -0.000343 trlgG= -0.006935 logG= -0.005664 TDE= -0.044836 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003091 tlogG= -0.002604 logG= -0.005694 Density= 0.045868 ETOT(band)= 0.000568 trlgG= -0.005901 logG= -0.005694 TDE= -0.044253 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003119 tlogG= -0.002553 logG= -0.005672 Density= 0.045598 ETOT(band)= 0.000062 trlgG= -0.006464 logG= -0.005672 TDE= -0.044578 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009423 tlogG= -0.007456 logG= -0.016879 Density= 0.136719 ETOT(band)= -0.000704 trlgG= -0.020398 logG= -0.016879 TDE= -0.134806 logGD-logG0= -0.009415 tlogG= -0.007368 logG= -0.016784 Density= 0.136592 ETOT(band)= -0.000645 trlgG= -0.020260 logG= -0.016784 TDE= -0.134642 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009400 tlogG= -0.007296 logG= -0.016696 Density= 0.136637 ETOT(band)= -0.000254 trlgG= -0.019749 logG= -0.016696 TDE= -0.134263 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009433 tlogG= -0.006660 logG= -0.016093 Density= 0.137870 ETOT(band)= 0.000708 trlgG= -0.018312 logG= -0.016093 TDE= -0.134612 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009696 tlogG= -0.006514 logG= -0.016211 Density= 0.142481 ETOT(band)= 0.004305 trlgG= -0.014955 logG= -0.016211 TDE= -0.135566 logGD-logG0= -0.009719 tlogG= -0.007141 logG= -0.016860 logGD-logG0= -0.009343 tlogG= -0.007363 logG= -0.016706 Density= 0.147639 ETOT(band)= 0.009181 trlgG= -0.010948 logG= -0.016860 TDE= -0.135862 Density= 0.137297 ETOT(band)= 0.001040 trlgG= -0.018218 logG= -0.016706 TDE= -0.133356 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009487 tlogG= -0.005940 logG= -0.015427 Density= 0.138065 ETOT(band)= 0.001017 trlgG= -0.017331 logG= -0.015427 TDE= -0.134484 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009379 tlogG= -0.007325 logG= -0.016704 Density= 0.136863 ETOT(band)= 0.000148 trlgG= -0.019270 logG= -0.016704 TDE= -0.133992 logGD-logG0= -0.009529 tlogG= -0.006361 logG= -0.015889 Density= 0.140270 ETOT(band)= 0.003361 trlgG= -0.015328 logG= -0.015889 TDE= -0.134136 logGD-logG0= -0.009657 tlogG= -0.007554 logG= -0.017212 Density= 0.149005 ETOT(band)= 0.010821 trlgG= -0.009683 logG= -0.017212 TDE= -0.135557 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009441 tlogG= -0.006627 logG= -0.016068 Density= 0.137816 ETOT(band)= 0.000734 trlgG= -0.018295 logG= -0.016068 TDE= -0.134568 logGD-logG0= -0.009427 tlogG= -0.006844 logG= -0.016271 Density= 0.138431 ETOT(band)= 0.001642 trlgG= -0.017337 logG= -0.016271 TDE= -0.133997 logGD-logG0= -0.009406 tlogG= -0.006530 logG= -0.015936 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137640 ETOT(band)= 0.000975 trlgG= -0.017834 logG= -0.015936 TDE= -0.134070 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009375 tlogG= -0.006819 logG= -0.016194 Density= 0.139001 ETOT(band)= 0.002933 trlgG= -0.015860 logG= -0.016194 TDE= -0.133146 logGD-logG0= -0.009531 tlogG= -0.006020 logG= -0.015551 logGD-logG0= -0.004761 tlogG= -0.003098 logG= -0.007859 Density= 0.135852 ETOT(band)= -0.001455 trlgG= -0.019848 logG= -0.015551 TDE= -0.134752 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.067587 ETOT(band)= -0.001233 trlgG= -0.010507 logG= -0.007859 TDE= -0.067550 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009425 tlogG= -0.006857 logG= -0.016282 Density= 0.137478 ETOT(band)= 0.000250 trlgG= -0.018974 logG= -0.016282 TDE= -0.134709 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009468 tlogG= -0.005620 logG= -0.015087 Density= 0.136916 ETOT(band)= 0.000404 trlgG= -0.017605 logG= -0.015087 TDE= -0.133995 logGD-logG0= -0.009598 tlogG= -0.006578 logG= -0.016176 Density= 0.143471 ETOT(band)= 0.006749 trlgG= -0.012311 logG= -0.016176 TDE= -0.133907 logGD-logG0= -0.009511 tlogG= -0.005630 logG= -0.015141 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.133803 ETOT(band)= -0.003040 trlgG= -0.020964 logG= -0.015141 TDE= -0.134311 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004773 tlogG= -0.002574 logG= -0.007347 Density= 0.065353 ETOT(band)= -0.002704 trlgG= -0.011321 logG= -0.007347 TDE= -0.066730 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009504 tlogG= -0.006140 logG= -0.015644 Density= 0.138630 ETOT(band)= 0.001549 trlgG= -0.016938 logG= -0.015644 TDE= -0.134416 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009740 tlogG= -0.006524 logG= -0.016264 Density= 0.143124 ETOT(band)= 0.004409 trlgG= -0.015012 logG= -0.016264 TDE= -0.136186 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019047 tlogG= -0.010848 logG= -0.029895 logGD-logG0= -0.018881 tlogG= -0.012361 logG= -0.031242 Density= 0.278902 ETOT(band)= 0.006458 trlgG= -0.030373 logG= -0.031242 TDE= -0.266954 Density= 0.271577 ETOT(band)= -0.001909 trlgG= -0.037580 logG= -0.029895 TDE= -0.268474 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018840 tlogG= -0.013710 logG= -0.032550 Density= 0.275121 ETOT(band)= 0.001124 trlgG= -0.037180 logG= -0.032550 TDE= -0.268822 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019444 tlogG= -0.012773 logG= -0.032217 logGD-logG0= -0.018949 tlogG= -0.011968 logG= -0.030917 Density= 0.285168 ETOT(band)= 0.008307 trlgG= -0.030122 logG= -0.032217 TDE= -0.271745 Density= 0.277907 ETOT(band)= 0.004023 trlgG= -0.032828 logG= -0.030917 TDE= -0.268778 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019070 tlogG= -0.011463 logG= -0.030533 logGD-logG0= -0.018968 tlogG= -0.012116 logG= -0.031083 Density= 0.278220 ETOT(band)= 0.004038 trlgG= -0.033021 logG= -0.031083 TDE= -0.269106 Density= 0.275426 ETOT(band)= 0.001264 trlgG= -0.035011 logG= -0.030533 TDE= -0.268963 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019203 tlogG= -0.012068 logG= -0.031270 logGD-logG0= -0.018948 tlogG= -0.012268 logG= -0.031216 Density= 0.278028 ETOT(band)= 0.004435 trlgG= -0.032554 logG= -0.031216 TDE= -0.268321 Density= 0.281463 ETOT(band)= 0.006908 trlgG= -0.030313 logG= -0.031270 TDE= -0.269325 logGD-logG0= -0.019140 tlogG= -0.010180 logG= -0.029320 Density= 0.264053 ETOT(band)= -0.008335 trlgG= -0.043115 logG= -0.029320 TDE= -0.267358 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004853 tlogG= -0.003572 logG= -0.008425 Density= 0.074821 ETOT(band)= 0.005083 trlgG= -0.004978 logG= -0.008425 TDE= -0.068402 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019163 tlogG= -0.010465 logG= -0.029628 Density= 0.278384 ETOT(band)= 0.004925 trlgG= -0.030523 logG= -0.029628 TDE= -0.268220 logGD-logG0= -0.018874 tlogG= -0.011636 logG= -0.030510 Density= 0.276563 ETOT(band)= 0.004003 trlgG= -0.032255 logG= -0.030510 TDE= -0.267322 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009617 tlogG= -0.004869 logG= -0.014486 Density= 0.130922 ETOT(band)= -0.005260 trlgG= -0.022456 logG= -0.014486 TDE= -0.133690 logGD-logG0= -0.019483 tlogG= -0.012764 logG= -0.032248 Density= 0.289591 ETOT(band)= 0.014881 trlgG= -0.023444 logG= -0.032248 TDE= -0.269284 logGD-logG0= -0.009537 tlogG= -0.005457 logG= -0.014994 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.133092 ETOT(band)= -0.003706 trlgG= -0.021420 logG= -0.014994 TDE= -0.134231 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018770 tlogG= -0.013758 logG= -0.032528 Density= 0.275759 ETOT(band)= 0.002925 trlgG= -0.034964 logG= -0.032528 TDE= -0.267241 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019086 tlogG= -0.011687 logG= -0.030773 Density= 0.270167 ETOT(band)= -0.004481 trlgG= -0.040953 logG= -0.030773 TDE= -0.269615 logGD-logG0= -0.019305 tlogG= -0.011915 logG= -0.031220 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.280274 ETOT(band)= 0.004458 trlgG= -0.032810 logG= -0.031220 TDE= -0.270731 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009607 tlogG= -0.005202 logG= -0.014809 Density= 0.140056 ETOT(band)= 0.003029 trlgG= -0.014745 logG= -0.014809 TDE= -0.134429 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019098 tlogG= -0.010546 logG= -0.029644 Density= 0.274955 ETOT(band)= 0.002487 trlgG= -0.032901 logG= -0.029644 TDE= -0.267289 logGD-logG0= -0.019241 tlogG= -0.011149 logG= -0.030390 Density= 0.278326 ETOT(band)= 0.003897 trlgG= -0.032368 logG= -0.030390 TDE= -0.269247 logGD-logG0= -0.019179 tlogG= -0.010088 logG= -0.029267 logGD-logG0= -0.009756 tlogG= -0.005981 logG= -0.015737 Density= 0.144041 ETOT(band)= 0.006467 trlgG= -0.012303 logG= -0.015737 TDE= -0.134885 Density= 0.267286 ETOT(band)= -0.005984 trlgG= -0.040768 logG= -0.029267 TDE= -0.268169 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019135 tlogG= -0.010611 logG= -0.029746 Density= 0.272509 ETOT(band)= -0.001587 trlgG= -0.036951 logG= -0.029746 TDE= -0.268889 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000386 tlogG= 0.008634 logG= 0.008249 Density= 0.005716 ETOT(band)= 0.000062 trlgG= 0.008207 logG= 0.008249 TDE= -0.005530 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.004781 tlogG= -0.002656 logG= -0.007437 logGD-logG0= -0.009553 tlogG= -0.005495 logG= -0.015047 Density= 0.135903 ETOT(band)= -0.001247 trlgG= -0.018987 logG= -0.015047 TDE= -0.134444 logGD-logG0= -0.009564 tlogG= -0.005275 logG= -0.014839 Density= 0.136975 ETOT(band)= -0.000017 trlgG= -0.017618 logG= -0.014839 TDE= -0.134313 Density= 0.068637 ETOT(band)= 0.000081 trlgG= -0.008784 logG= -0.007437 TDE= -0.067257 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009544 tlogG= -0.005138 logG= -0.014682 Density= 0.136480 ETOT(band)= -0.000387 trlgG= -0.017739 logG= -0.014682 TDE= -0.134115 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002327 tlogG= -0.002346 logG= -0.004673 Density= 0.034875 ETOT(band)= 0.000932 trlgG= -0.004375 logG= -0.004673 TDE= -0.033191 logGD-logG0= -0.002428 tlogG= -0.001869 logG= -0.004297 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.036960 ETOT(band)= 0.002610 trlgG= -0.002471 logG= -0.004297 TDE= -0.033666 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009396 tlogG= -0.007408 logG= -0.016804 logGD-logG0= -0.009301 tlogG= -0.008819 logG= -0.018120 Density= 0.137539 ETOT(band)= 0.001594 trlgG= -0.017722 logG= -0.016804 TDE= -0.132992 Density= 0.139407 ETOT(band)= 0.003660 trlgG= -0.016875 logG= -0.018120 TDE= -0.132624 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009351 tlogG= -0.007754 logG= -0.017105 Density= 0.138551 ETOT(band)= 0.002853 trlgG= -0.016611 logG= -0.017105 TDE= -0.132553 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002375 tlogG= -0.001971 logG= -0.004346 Density= 0.035796 ETOT(band)= 0.001759 trlgG= -0.003246 logG= -0.004346 TDE= -0.033274 logGD-logG0= -0.009651 tlogG= -0.007186 logG= -0.016837 Density= 0.144827 ETOT(band)= 0.008341 trlgG= -0.011283 logG= -0.016837 TDE= -0.133520 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009366 tlogG= -0.008437 logG= -0.017803 Density= 0.140850 ETOT(band)= 0.005027 trlgG= -0.015327 logG= -0.017803 TDE= -0.132779 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009333 tlogG= -0.007983 logG= -0.017316 Density= 0.138816 ETOT(band)= 0.003232 trlgG= -0.016493 logG= -0.017316 TDE= -0.132479 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004668 tlogG= -0.004023 logG= -0.008691 Density= 0.069932 ETOT(band)= 0.002134 trlgG= -0.007789 logG= -0.008691 TDE= -0.066252 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009405 tlogG= -0.006889 logG= -0.016295 Density= 0.139344 ETOT(band)= 0.003910 trlgG= -0.014963 logG= -0.016295 TDE= -0.132476 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009417 tlogG= -0.007331 logG= -0.016748 Density= 0.140982 ETOT(band)= 0.005226 trlgG= -0.014181 logG= -0.016748 TDE= -0.132815 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009455 tlogG= -0.006355 logG= -0.015810 Density= 0.137429 ETOT(band)= 0.001680 trlgG= -0.016931 logG= -0.015810 TDE= -0.133090 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009566 tlogG= -0.005326 logG= -0.014893 Density= 0.133878 ETOT(band)= -0.001795 trlgG= -0.019455 logG= -0.014893 TDE= -0.133122 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004759 tlogG= -0.002824 logG= -0.007584 Density= 0.068470 ETOT(band)= 0.000850 trlgG= -0.008118 logG= -0.007584 TDE= -0.066284 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019053 tlogG= -0.013245 logG= -0.032298 Density= 0.284681 ETOT(band)= 0.012684 trlgG= -0.025293 logG= -0.032298 TDE= -0.266367 logGD-logG0= -0.018711 tlogG= -0.015770 logG= -0.034481 Density= 0.280375 ETOT(band)= 0.009047 trlgG= -0.030412 logG= -0.034481 TDE= -0.265168 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009606 tlogG= -0.005010 logG= -0.014616 Density= 0.130709 ETOT(band)= -0.004759 trlgG= -0.022070 logG= -0.014616 TDE= -0.132971 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009462 tlogG= -0.007534 logG= -0.016996 Density= 0.142457 ETOT(band)= 0.006512 trlgG= -0.013141 logG= -0.016996 TDE= -0.132943 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009300 tlogG= -0.009049 logG= -0.018349 Density= 0.139602 ETOT(band)= 0.003851 trlgG= -0.016980 logG= -0.018349 TDE= -0.132687 logGD-logG0= -0.018820 tlogG= -0.013983 logG= -0.032803 Density= 0.277531 ETOT(band)= 0.006201 trlgG= -0.031667 logG= -0.032803 TDE= -0.265370 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009630 tlogG= -0.005698 logG= -0.015328 Density= 0.141552 ETOT(band)= 0.005490 trlgG= -0.012848 logG= -0.015328 TDE= -0.133448 logGD-logG0= -0.009765 tlogG= -0.006725 logG= -0.016490 Density= 0.145737 ETOT(band)= 0.008834 trlgG= -0.010758 logG= -0.016490 TDE= -0.134216 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018986 tlogG= -0.011699 logG= -0.030686 Density= 0.277080 ETOT(band)= 0.006013 trlgG= -0.030318 logG= -0.030686 TDE= -0.265706 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009442 tlogG= -0.006671 logG= -0.016113 Density= 0.140815 ETOT(band)= 0.005309 trlgG= -0.013573 logG= -0.016113 TDE= -0.132681 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003120 tlogG= 0.069885 logG= 0.066766 Density= 0.046270 ETOT(band)= 0.001045 trlgG= 0.067015 logG= 0.066766 TDE= -0.044183 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003100 tlogG= 0.069488 logG= 0.066388 Density= 0.046198 ETOT(band)= 0.000944 trlgG= 0.066520 logG= 0.066388 TDE= -0.044231 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003090 tlogG= 0.069203 logG= 0.066113 Density= 0.045845 ETOT(band)= 0.000620 trlgG= 0.065896 logG= 0.066113 TDE= -0.044241 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002318 tlogG= 0.051922 logG= 0.049604 Density= 0.034447 ETOT(band)= 0.000516 trlgG= 0.049498 logG= 0.049604 TDE= -0.033184 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004640 tlogG= 0.104057 logG= 0.099417 Density= 0.069138 ETOT(band)= 0.001264 trlgG= 0.099448 logG= 0.099417 TDE= -0.066360 logGD-logG0= -0.009296 tlogG= 0.208480 logG= 0.199184 Density= 0.138568 ETOT(band)= 0.002866 trlgG= 0.199531 logG= 0.199184 TDE= -0.132716 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009332 tlogG= 0.209181 logG= 0.199849 Density= 0.139074 ETOT(band)= 0.003395 trlgG= 0.200762 logG= 0.199849 TDE= -0.132636 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.53357698625865 eV TrLogG= -13.8031280045501 eV Ratio to renormalize= 0.999999999721 rho-rho_expected= 0.000000004467 nargs= 1 argi=dmft2.def 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 28) Finished k-point number 29 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 56) Finished k-point number 57 1 with #bands= 18 61) Finished k-point number 62 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 57) Finished k-point number 58 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 94) Finished k-point number 95 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 91) Finished k-point number 92 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931341524398421 0.927932588783917 7) Finished k-point number 8 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 11) Finished k-point number 12 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 94) Finished k-point number 95 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 98) Finished k-point number 99 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0652056005317 Density= 15.9983607341942 16.0000000000000 EF 13.3373194326453 Density= 16.4947082578655 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98027498 0.96027499 0.494708 -0.163927E-02 1 0.97027499 0.96027500 0.255270 -0.163927E-02 2 0.96527499 0.96027476 0.129565 -0.163927E-02 3 0.96277488 0.96027488 0.648435E-01 -0.163927E-02 4 0.96152488 0.96027482 0.318544E-01 -0.163927E-02 5 0.96089985 0.96027509 0.151730E-01 -0.163927E-02 6 0.96058747 0.96027471 0.678566E-02 -0.163927E-02 7 0.96043109 0.96027514 0.257397E-02 -0.163927E-02 8 0.96035312 0.96027517 0.470544E-03 -0.163927E-02 9 0.96033571 0.96027517 0.723350E-06 -0.163927E-02 10 0.96033568 0.96027517 0.478146E-09 -0.163927E-02 11 0.96033568 0.96033568 -0.222146E-08 0.478146E-09 12 0.96033568 0.96033568 -0.222146E-08 0.478146E-09 Absolute convergence of the X interval. Difference in EF= 0.0008258329 EF set to : 13.0660314334 new EF (no-mixing): 13.0660314334 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.002402 tlogG= -0.002399 logG= -0.004801 Density= 0.037893 ETOT(band)= 0.002556 trlgG= -0.003055 logG= -0.004801 TDE= -0.034644 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009614 tlogG= -0.009514 logG= -0.019128 Density= 0.151668 ETOT(band)= 0.010100 trlgG= -0.012256 logG= -0.019128 TDE= -0.138779 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004803 tlogG= -0.004610 logG= -0.009413 Density= 0.075810 ETOT(band)= 0.005132 trlgG= -0.005896 logG= -0.009413 TDE= -0.069286 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.001572 tlogG= -0.001317 logG= -0.002888 Density= 0.022769 ETOT(band)= -0.000173 trlgG= -0.003504 logG= -0.002888 TDE= -0.022482 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.001205 tlogG= -0.001247 logG= -0.002452 Density= 0.018971 ETOT(band)= 0.001230 trlgG= -0.001624 logG= -0.002452 TDE= -0.017391 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004823 tlogG= -0.004188 logG= -0.009012 Density= 0.075482 ETOT(band)= 0.005179 trlgG= -0.005513 logG= -0.009012 TDE= -0.068990 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009656 tlogG= -0.008788 logG= -0.018444 Density= 0.151209 ETOT(band)= 0.010582 trlgG= -0.011183 logG= -0.018444 TDE= -0.137950 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009615 tlogG= -0.007791 logG= -0.017407 Density= 0.149973 ETOT(band)= 0.010974 trlgG= -0.009748 logG= -0.017407 TDE= -0.136366 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019281 tlogG= -0.015877 logG= -0.035157 Density= 0.301310 ETOT(band)= 0.020980 trlgG= -0.020877 logG= -0.035157 TDE= -0.275078 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019258 tlogG= -0.014760 logG= -0.034018 Density= 0.299368 ETOT(band)= 0.021112 trlgG= -0.019411 logG= -0.034018 TDE= -0.272886 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009653 tlogG= -0.006631 logG= -0.016284 Density= 0.147364 ETOT(band)= 0.008553 trlgG= -0.010976 logG= -0.016284 TDE= -0.136211 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003137 tlogG= -0.002528 logG= -0.005664 Density= 0.045367 ETOT(band)= -0.000341 trlgG= -0.006933 logG= -0.005664 TDE= -0.044837 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003091 tlogG= -0.002603 logG= -0.005693 logGD-logG0= -0.003119 tlogG= -0.002553 logG= -0.005672 Density= 0.045596 ETOT(band)= 0.000064 trlgG= -0.006462 logG= -0.005672 TDE= -0.044578 Density= 0.045867 ETOT(band)= 0.000570 trlgG= -0.005898 logG= -0.005693 TDE= -0.044253 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009423 tlogG= -0.007456 logG= -0.016880 Density= 0.136716 ETOT(band)= -0.000699 trlgG= -0.020394 logG= -0.016880 TDE= -0.134808 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009415 tlogG= -0.007368 logG= -0.016783 Density= 0.136588 ETOT(band)= -0.000641 trlgG= -0.020255 logG= -0.016783 TDE= -0.134643 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009641 tlogG= -0.008049 logG= -0.017690 Density= 0.150578 ETOT(band)= 0.010528 trlgG= -0.010510 logG= -0.017690 TDE= -0.137425 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009719 tlogG= -0.007140 logG= -0.016859 Density= 0.147635 ETOT(band)= 0.009185 trlgG= -0.010944 logG= -0.016859 TDE= -0.135864 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009399 tlogG= -0.007294 logG= -0.016694 Density= 0.136634 ETOT(band)= -0.000250 trlgG= -0.019743 logG= -0.016694 TDE= -0.134265 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009662 tlogG= -0.006679 logG= -0.016341 Density= 0.143888 ETOT(band)= 0.005025 trlgG= -0.014491 logG= -0.016341 TDE= -0.136331 logGD-logG0= -0.009343 tlogG= -0.007362 logG= -0.016705 Density= 0.137294 ETOT(band)= 0.001045 trlgG= -0.018213 logG= -0.016705 TDE= -0.133357 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009697 tlogG= -0.006513 logG= -0.016210 Density= 0.142487 ETOT(band)= 0.004319 trlgG= -0.014941 logG= -0.016210 TDE= -0.135568 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009645 tlogG= -0.008656 logG= -0.018301 Density= 0.150772 ETOT(band)= 0.010603 trlgG= -0.011063 logG= -0.018301 TDE= -0.137554 logGD-logG0= -0.002407 tlogG= -0.002076 logG= -0.004483 Density= 0.037453 ETOT(band)= 0.002600 trlgG= -0.002739 logG= -0.004483 TDE= -0.034223 logGD-logG0= -0.009658 tlogG= -0.007555 logG= -0.017212 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.148999 ETOT(band)= 0.010824 trlgG= -0.009682 logG= -0.017212 TDE= -0.135559 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009528 tlogG= -0.006360 logG= -0.015888 Density= 0.140271 ETOT(band)= 0.003369 trlgG= -0.015319 logG= -0.015888 TDE= -0.134138 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009487 tlogG= -0.005941 logG= -0.015429 Density= 0.138065 ETOT(band)= 0.001024 trlgG= -0.017326 logG= -0.015429 TDE= -0.134486 logGD-logG0= -0.009374 tlogG= -0.006818 logG= -0.016192 Density= 0.139000 ETOT(band)= 0.002940 trlgG= -0.015852 logG= -0.016192 TDE= -0.133147 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009511 tlogG= -0.005629 logG= -0.015139 Density= 0.133795 ETOT(band)= -0.003040 trlgG= -0.020963 logG= -0.015139 TDE= -0.134312 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009598 tlogG= -0.006578 logG= -0.016176 Density= 0.143472 ETOT(band)= 0.006757 trlgG= -0.012303 logG= -0.016176 TDE= -0.133908 logGD-logG0= -0.009531 tlogG= -0.006018 logG= -0.015549 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.135850 ETOT(band)= -0.001449 trlgG= -0.019840 logG= -0.015549 TDE= -0.134753 logGD-logG0= -0.004761 tlogG= -0.003098 logG= -0.007859 Density= 0.067582 ETOT(band)= -0.001233 trlgG= -0.010507 logG= -0.007859 TDE= -0.067551 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009467 tlogG= -0.005618 logG= -0.015085 Density= 0.136919 ETOT(band)= 0.000415 trlgG= -0.017593 logG= -0.015085 TDE= -0.133996 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009425 tlogG= -0.006856 logG= -0.016281 Density= 0.137475 ETOT(band)= 0.000256 trlgG= -0.018969 logG= -0.016281 TDE= -0.134710 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019445 tlogG= -0.012772 logG= -0.032217 Density= 0.285173 ETOT(band)= 0.008328 trlgG= -0.030104 logG= -0.032217 TDE= -0.271749 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009740 tlogG= -0.006523 logG= -0.016263 Density= 0.143134 ETOT(band)= 0.004426 trlgG= -0.014994 logG= -0.016263 TDE= -0.136188 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018968 tlogG= -0.012116 logG= -0.031084 Density= 0.278220 ETOT(band)= 0.004054 trlgG= -0.033009 logG= -0.031084 TDE= -0.269109 logGD-logG0= -0.018840 tlogG= -0.013709 logG= -0.032549 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.275116 ETOT(band)= 0.001135 trlgG= -0.037170 logG= -0.032549 TDE= -0.268825 logGD-logG0= -0.018947 tlogG= -0.011965 logG= -0.030912 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.277903 ETOT(band)= 0.004035 trlgG= -0.032813 logG= -0.030912 TDE= -0.268781 logGD-logG0= -0.019205 tlogG= -0.012067 logG= -0.031271 Density= 0.281468 ETOT(band)= 0.006928 trlgG= -0.030296 logG= -0.031271 TDE= -0.269328 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019048 tlogG= -0.010850 logG= -0.029898 logGD-logG0= -0.009618 tlogG= -0.004870 logG= -0.014488 logGD-logG0= -0.019069 tlogG= -0.011461 logG= -0.030530 Density= 0.275434 ETOT(band)= 0.001287 trlgG= -0.034986 logG= -0.030530 TDE= -0.268966 Density= 0.130932 ETOT(band)= -0.005242 trlgG= -0.022441 logG= -0.014488 TDE= -0.133692 Density= 0.271583 ETOT(band)= -0.001886 trlgG= -0.037564 logG= -0.029898 TDE= -0.268477 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004853 tlogG= -0.003572 logG= -0.008426 logGD-logG0= -0.019164 tlogG= -0.010470 logG= -0.029633 Density= 0.278406 ETOT(band)= 0.004962 trlgG= -0.030493 logG= -0.029633 TDE= -0.268223 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.074819 ETOT(band)= 0.005085 trlgG= -0.004977 logG= -0.008426 TDE= -0.068403 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018880 tlogG= -0.012355 logG= -0.031234 logGD-logG0= -0.019140 tlogG= -0.010179 logG= -0.029319 Density= 0.264077 ETOT(band)= -0.008295 trlgG= -0.043078 logG= -0.029319 TDE= -0.267361 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278899 ETOT(band)= 0.006469 trlgG= -0.030355 logG= -0.031234 TDE= -0.266957 logGD-logG0= -0.000386 tlogG= 0.008635 logG= 0.008249 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.005716 ETOT(band)= 0.000062 trlgG= 0.008208 logG= 0.008249 TDE= -0.005530 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019483 tlogG= -0.012765 logG= -0.032248 Density= 0.289582 ETOT(band)= 0.014887 trlgG= -0.023440 logG= -0.032248 TDE= -0.269288 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018947 tlogG= -0.012265 logG= -0.031212 Density= 0.278026 ETOT(band)= 0.004448 trlgG= -0.032538 logG= -0.031212 TDE= -0.268324 logGD-logG0= -0.018876 tlogG= -0.011646 logG= -0.030522 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.276558 ETOT(band)= 0.004014 trlgG= -0.032258 logG= -0.030522 TDE= -0.267325 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019085 tlogG= -0.011682 logG= -0.030767 Density= 0.270154 ETOT(band)= -0.004479 trlgG= -0.040946 logG= -0.030767 TDE= -0.269618 logGD-logG0= -0.018771 tlogG= -0.013757 logG= -0.032527 Density= 0.275756 ETOT(band)= 0.002939 trlgG= -0.034952 logG= -0.032527 TDE= -0.267243 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009536 tlogG= -0.005458 logG= -0.014995 Density= 0.133093 ETOT(band)= -0.003698 trlgG= -0.021413 logG= -0.014995 TDE= -0.134232 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009607 tlogG= -0.005202 logG= -0.014809 Density= 0.140064 ETOT(band)= 0.003044 trlgG= -0.014731 logG= -0.014809 TDE= -0.134431 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019098 tlogG= -0.010546 logG= -0.029644 Density= 0.274972 ETOT(band)= 0.002519 trlgG= -0.032872 logG= -0.029644 TDE= -0.267293 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019241 tlogG= -0.011147 logG= -0.030388 Density= 0.278328 ETOT(band)= 0.003913 trlgG= -0.032350 logG= -0.030388 TDE= -0.269250 logGD-logG0= -0.004774 tlogG= -0.002579 logG= -0.007353 Density= 0.065351 ETOT(band)= -0.002703 trlgG= -0.011325 logG= -0.007353 TDE= -0.066731 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019306 tlogG= -0.011915 logG= -0.031221 Density= 0.280285 ETOT(band)= 0.004483 trlgG= -0.032788 logG= -0.031221 TDE= -0.270734 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019135 tlogG= -0.010607 logG= -0.029742 Density= 0.272516 ETOT(band)= -0.001566 trlgG= -0.036928 logG= -0.029742 TDE= -0.268892 logGD-logG0= -0.009756 tlogG= -0.005981 logG= -0.015737 logGD-logG0= -0.019179 tlogG= -0.010088 logG= -0.029267 Density= 0.267315 ETOT(band)= -0.005940 trlgG= -0.040726 logG= -0.029267 TDE= -0.268172 Density= 0.144043 ETOT(band)= 0.006477 trlgG= -0.012295 logG= -0.015737 TDE= -0.134887 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009545 tlogG= -0.005139 logG= -0.014683 Density= 0.136478 ETOT(band)= -0.000379 trlgG= -0.017734 logG= -0.014683 TDE= -0.134116 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009504 tlogG= -0.006141 logG= -0.015645 Density= 0.138630 ETOT(band)= 0.001557 trlgG= -0.016932 logG= -0.015645 TDE= -0.134418 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009564 tlogG= -0.005274 logG= -0.014838 Density= 0.136976 ETOT(band)= -0.000009 trlgG= -0.017610 logG= -0.014838 TDE= -0.134315 logGD-logG0= -0.009553 tlogG= -0.005494 logG= -0.015047 Density= 0.135901 ETOT(band)= -0.001241 trlgG= -0.018982 logG= -0.015047 TDE= -0.134445 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004781 tlogG= -0.002656 logG= -0.007437 Density= 0.068637 ETOT(band)= 0.000084 trlgG= -0.008781 logG= -0.007437 TDE= -0.067258 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009427 tlogG= -0.006841 logG= -0.016268 Density= 0.138429 ETOT(band)= 0.001649 trlgG= -0.017328 logG= -0.016268 TDE= -0.133998 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002428 tlogG= -0.001869 logG= -0.004297 Density= 0.036959 ETOT(band)= 0.002611 trlgG= -0.002470 logG= -0.004297 TDE= -0.033666 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009301 tlogG= -0.008819 logG= -0.018120 Density= 0.139405 ETOT(band)= 0.003666 trlgG= -0.016869 logG= -0.018120 TDE= -0.132625 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009651 tlogG= -0.007186 logG= -0.016837 Density= 0.144827 ETOT(band)= 0.008350 trlgG= -0.011277 logG= -0.016837 TDE= -0.133522 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009366 tlogG= -0.008437 logG= -0.017803 Density= 0.140850 ETOT(band)= 0.005036 trlgG= -0.015319 logG= -0.017803 TDE= -0.132780 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002375 tlogG= -0.001971 logG= -0.004346 Density= 0.035797 ETOT(band)= 0.001761 trlgG= -0.003244 logG= -0.004346 TDE= -0.033275 logGD-logG0= -0.009418 tlogG= -0.007331 logG= -0.016749 Density= 0.140982 ETOT(band)= 0.005234 trlgG= -0.014175 logG= -0.016749 TDE= -0.132816 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004759 tlogG= -0.002826 logG= -0.007585 Density= 0.068470 ETOT(band)= 0.000853 trlgG= -0.008115 logG= -0.007585 TDE= -0.066284 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009567 tlogG= -0.005326 logG= -0.014893 Density= 0.133880 ETOT(band)= -0.001785 trlgG= -0.019447 logG= -0.014893 TDE= -0.133124 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019053 tlogG= -0.013245 logG= -0.032298 Density= 0.284685 ETOT(band)= 0.012703 trlgG= -0.025275 logG= -0.032298 TDE= -0.266370 logGD-logG0= -0.009350 tlogG= -0.007754 logG= -0.017104 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.138549 ETOT(band)= 0.002860 trlgG= -0.016605 logG= -0.017104 TDE= -0.132554 logGD-logG0= -0.009608 tlogG= -0.005009 logG= -0.014616 Density= 0.130717 ETOT(band)= -0.004743 trlgG= -0.022057 logG= -0.014616 TDE= -0.132972 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009630 tlogG= -0.005698 logG= -0.015328 Density= 0.141556 ETOT(band)= 0.005501 trlgG= -0.012837 logG= -0.015328 TDE= -0.133450 logGD-logG0= -0.018711 tlogG= -0.015769 logG= -0.034481 Density= 0.280374 ETOT(band)= 0.009063 trlgG= -0.030398 logG= -0.034481 TDE= -0.265171 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009765 tlogG= -0.006726 logG= -0.016490 Density= 0.145736 ETOT(band)= 0.008840 trlgG= -0.010753 logG= -0.016490 TDE= -0.134218 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009433 tlogG= -0.006659 logG= -0.016092 Density= 0.137868 ETOT(band)= 0.000715 trlgG= -0.018307 logG= -0.016092 TDE= -0.134614 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009441 tlogG= -0.006627 logG= -0.016068 Density= 0.137814 ETOT(band)= 0.000740 trlgG= -0.018290 logG= -0.016068 TDE= -0.134570 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018987 tlogG= -0.011700 logG= -0.030687 Density= 0.277081 ETOT(band)= 0.006030 trlgG= -0.030305 logG= -0.030687 TDE= -0.265708 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009442 tlogG= -0.006672 logG= -0.016113 Density= 0.140816 ETOT(band)= 0.005318 trlgG= -0.013565 logG= -0.016113 TDE= -0.132683 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009300 tlogG= -0.009049 logG= -0.018349 Density= 0.139600 ETOT(band)= 0.003858 trlgG= -0.016973 logG= -0.018349 TDE= -0.132688 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009404 tlogG= -0.006527 logG= -0.015932 Density= 0.137638 ETOT(band)= 0.000980 trlgG= -0.017824 logG= -0.015932 TDE= -0.134072 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009405 tlogG= -0.006888 logG= -0.016292 Density= 0.139343 ETOT(band)= 0.003917 trlgG= -0.014954 logG= -0.016292 TDE= -0.132478 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002327 tlogG= -0.002346 logG= -0.004673 Density= 0.034874 ETOT(band)= 0.000934 trlgG= -0.004373 logG= -0.004673 TDE= -0.033192 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009379 tlogG= -0.007327 logG= -0.016706 Density= 0.136859 ETOT(band)= 0.000152 trlgG= -0.019268 logG= -0.016706 TDE= -0.133993 logGD-logG0= -0.009332 tlogG= -0.007981 logG= -0.017314 Density= 0.138815 ETOT(band)= 0.003238 trlgG= -0.016484 logG= -0.017314 TDE= -0.132480 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003100 tlogG= 0.069492 logG= 0.066392 Density= 0.046197 ETOT(band)= 0.000946 trlgG= 0.066526 logG= 0.066392 TDE= -0.044231 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003120 tlogG= 0.069890 logG= 0.066770 Density= 0.046270 ETOT(band)= 0.001048 trlgG= 0.067021 logG= 0.066770 TDE= -0.044184 logGD-logG0= -0.003090 tlogG= 0.069208 logG= 0.066118 Density= 0.045844 ETOT(band)= 0.000622 trlgG= 0.065902 logG= 0.066118 TDE= -0.044242 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004668 tlogG= -0.004024 logG= -0.008692 Density= 0.069931 ETOT(band)= 0.002138 trlgG= -0.007787 logG= -0.008692 TDE= -0.066253 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002318 tlogG= 0.051925 logG= 0.049607 Density= 0.034446 ETOT(band)= 0.000517 trlgG= 0.049503 logG= 0.049607 TDE= -0.033185 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009296 tlogG= 0.208494 logG= 0.199197 Density= 0.138566 ETOT(band)= 0.002872 trlgG= 0.199550 logG= 0.199197 TDE= -0.132717 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009333 tlogG= 0.209194 logG= 0.199861 Density= 0.139072 ETOT(band)= 0.003402 trlgG= 0.200780 logG= 0.199861 TDE= -0.132637 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009396 tlogG= -0.007405 logG= -0.016801 Density= 0.137536 ETOT(band)= 0.001599 trlgG= -0.017714 logG= -0.016801 TDE= -0.132993 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009462 tlogG= -0.007534 logG= -0.016996 Density= 0.142458 ETOT(band)= 0.006521 trlgG= -0.013133 logG= -0.016996 TDE= -0.132944 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009455 tlogG= -0.006356 logG= -0.015811 Density= 0.137426 ETOT(band)= 0.001685 trlgG= -0.016928 logG= -0.015811 TDE= -0.133092 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018820 tlogG= -0.013986 logG= -0.032806 Density= 0.277527 ETOT(band)= 0.006213 trlgG= -0.031660 logG= -0.032806 TDE= -0.265373 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004640 tlogG= 0.104064 logG= 0.099424 Density= 0.069136 ETOT(band)= 0.001268 trlgG= 0.099457 logG= 0.099424 TDE= -0.066361 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.54581283637883 eV TrLogG= -13.7914636366808 eV Ratio to renormalize= 0.999999999859 rho-rho_expected= 0.000000002264 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 56) Finished k-point number 57 1 with #bands= 18 62) Finished k-point number 63 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 89) Finished k-point number 90 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 82) Finished k-point number 83 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931355786570532 0.927892583066507 56) Finished k-point number 57 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 27) Finished k-point number 28 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 57) Finished k-point number 58 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 7) Finished k-point number 8 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 6) Finished k-point number 7 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 13) Finished k-point number 14 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 46) Finished k-point number 47 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 34) Finished k-point number 35 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 59) Finished k-point number 60 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0660314334474 Density= 16.0013632321755 16.0000000000000 EF 12.7939176013338 Density= 15.3704722966631 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96033568 0.94033568 0.136323E-02 -0.629528 1 0.96029247 0.94033568 0.197211E-03 -0.629528 2 0.96028516 0.96029247 -0.553781E-08 0.197211E-03 3 0.96028516 0.96028516 0.266454E-12 -0.553781E-08 Absolute convergence of |F(X)|. Difference in EF= -0.0006873976 EF set to : 13.0653440358 new EF (no-mixing): 13.0653440358 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001205 tlogG= -0.001247 logG= -0.002452 Density= 0.018972 ETOT(band)= 0.001230 trlgG= -0.001624 logG= -0.002452 TDE= -0.017391 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009614 tlogG= -0.009514 logG= -0.019128 Density= 0.151673 ETOT(band)= 0.010098 trlgG= -0.012256 logG= -0.019128 TDE= -0.138777 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002402 tlogG= -0.002399 logG= -0.004801 Density= 0.037894 ETOT(band)= 0.002556 trlgG= -0.003055 logG= -0.004801 TDE= -0.034643 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004803 tlogG= -0.004610 logG= -0.009413 Density= 0.075812 ETOT(band)= 0.005131 trlgG= -0.005896 logG= -0.009413 TDE= -0.069285 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002406 tlogG= -0.002076 logG= -0.004483 Density= 0.037454 ETOT(band)= 0.002600 trlgG= -0.002739 logG= -0.004483 TDE= -0.034223 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009641 tlogG= -0.008050 logG= -0.017691 Density= 0.150584 ETOT(band)= 0.010527 trlgG= -0.010510 logG= -0.017691 TDE= -0.137423 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001572 tlogG= -0.001316 logG= -0.002888 Density= 0.022770 ETOT(band)= -0.000173 trlgG= -0.003505 logG= -0.002888 TDE= -0.022482 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009662 tlogG= -0.006680 logG= -0.016342 Density= 0.143884 ETOT(band)= 0.005016 trlgG= -0.014501 logG= -0.016342 TDE= -0.136329 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009645 tlogG= -0.008655 logG= -0.018300 Density= 0.150778 ETOT(band)= 0.010602 trlgG= -0.011062 logG= -0.018300 TDE= -0.137552 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004823 tlogG= -0.004188 logG= -0.009011 Density= 0.075484 ETOT(band)= 0.005177 trlgG= -0.005514 logG= -0.009011 TDE= -0.068989 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009656 tlogG= -0.008788 logG= -0.018443 Density= 0.151214 ETOT(band)= 0.010581 trlgG= -0.011183 logG= -0.018443 TDE= -0.137948 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009615 tlogG= -0.007791 logG= -0.017406 Density= 0.149979 ETOT(band)= 0.010973 trlgG= -0.009747 logG= -0.017406 TDE= -0.136364 logGD-logG0= -0.019257 tlogG= -0.014758 logG= -0.034016 Density= 0.299375 ETOT(band)= 0.021105 trlgG= -0.019413 logG= -0.034016 TDE= -0.272883 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019280 tlogG= -0.015876 logG= -0.035156 Density= 0.301322 ETOT(band)= 0.020979 trlgG= -0.020875 logG= -0.035156 TDE= -0.275074 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009653 tlogG= -0.006631 logG= -0.016284 Density= 0.147367 ETOT(band)= 0.008550 trlgG= -0.010978 logG= -0.016284 TDE= -0.136209 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003091 tlogG= -0.002603 logG= -0.005694 Density= 0.045868 ETOT(band)= 0.000569 trlgG= -0.005900 logG= -0.005694 TDE= -0.044253 logGD-logG0= -0.003137 tlogG= -0.002528 logG= -0.005664 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.045368 ETOT(band)= -0.000342 trlgG= -0.006934 logG= -0.005664 TDE= -0.044837 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009423 tlogG= -0.007456 logG= -0.016878 Density= 0.136718 ETOT(band)= -0.000703 trlgG= -0.020396 logG= -0.016878 TDE= -0.134807 logGD-logG0= -0.003119 tlogG= -0.002553 logG= -0.005672 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.045598 ETOT(band)= 0.000063 trlgG= -0.006463 logG= -0.005672 TDE= -0.044578 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009415 tlogG= -0.007370 logG= -0.016784 Density= 0.136591 ETOT(band)= -0.000645 trlgG= -0.020260 logG= -0.016784 TDE= -0.134642 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009400 tlogG= -0.007294 logG= -0.016694 Density= 0.136638 ETOT(band)= -0.000252 trlgG= -0.019747 logG= -0.016694 TDE= -0.134264 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009343 tlogG= -0.007362 logG= -0.016705 logGD-logG0= -0.009432 tlogG= -0.006658 logG= -0.016090 Density= 0.137870 ETOT(band)= 0.000709 trlgG= -0.018309 logG= -0.016090 TDE= -0.134613 Density= 0.137297 ETOT(band)= 0.001041 trlgG= -0.018217 logG= -0.016705 TDE= -0.133356 logGD-logG0= -0.009658 tlogG= -0.007554 logG= -0.017211 logGD-logG0= -0.009528 tlogG= -0.006361 logG= -0.015889 Density= 0.140269 ETOT(band)= 0.003361 trlgG= -0.015327 logG= -0.015889 TDE= -0.134136 Density= 0.149004 ETOT(band)= 0.010822 trlgG= -0.009682 logG= -0.017211 TDE= -0.135557 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009719 tlogG= -0.007141 logG= -0.016859 Density= 0.147644 ETOT(band)= 0.009187 trlgG= -0.010941 logG= -0.016859 TDE= -0.135862 logGD-logG0= -0.009696 tlogG= -0.006514 logG= -0.016210 Density= 0.142480 ETOT(band)= 0.004305 trlgG= -0.014955 logG= -0.016210 TDE= -0.135566 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009427 tlogG= -0.006841 logG= -0.016269 Density= 0.138431 ETOT(band)= 0.001644 trlgG= -0.017333 logG= -0.016269 TDE= -0.133997 logGD-logG0= -0.009405 tlogG= -0.006529 logG= -0.015933 Density= 0.137640 ETOT(band)= 0.000975 trlgG= -0.017831 logG= -0.015933 TDE= -0.134070 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009441 tlogG= -0.006625 logG= -0.016067 logGD-logG0= -0.009511 tlogG= -0.005630 logG= -0.015141 Density= 0.137816 ETOT(band)= 0.000736 trlgG= -0.018292 logG= -0.016067 TDE= -0.134568 Density= 0.133800 ETOT(band)= -0.003042 trlgG= -0.020966 logG= -0.015141 TDE= -0.134311 logGD-logG0= -0.004761 tlogG= -0.003097 logG= -0.007858 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.067583 ETOT(band)= -0.001236 trlgG= -0.010509 logG= -0.007858 TDE= -0.067550 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009379 tlogG= -0.007328 logG= -0.016707 Density= 0.136862 ETOT(band)= 0.000148 trlgG= -0.019273 logG= -0.016707 TDE= -0.133992 logGD-logG0= -0.009598 tlogG= -0.006578 logG= -0.016175 logGD-logG0= -0.009375 tlogG= -0.006820 logG= -0.016195 Density= 0.143471 ETOT(band)= 0.006750 trlgG= -0.012309 logG= -0.016175 TDE= -0.133907 Density= 0.139001 ETOT(band)= 0.002934 trlgG= -0.015860 logG= -0.016195 TDE= -0.133146 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009487 tlogG= -0.005941 logG= -0.015429 Density= 0.138065 ETOT(band)= 0.001018 trlgG= -0.017331 logG= -0.015429 TDE= -0.134484 logGD-logG0= -0.004773 tlogG= -0.002574 logG= -0.007347 Density= 0.065348 ETOT(band)= -0.002708 trlgG= -0.011324 logG= -0.007347 TDE= -0.066730 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009466 tlogG= -0.005617 logG= -0.015084 Density= 0.136916 ETOT(band)= 0.000405 trlgG= -0.017600 logG= -0.015084 TDE= -0.133995 logGD-logG0= -0.009531 tlogG= -0.006019 logG= -0.015550 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.135851 ETOT(band)= -0.001454 trlgG= -0.019847 logG= -0.015550 TDE= -0.134752 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009425 tlogG= -0.006854 logG= -0.016279 Density= 0.137478 ETOT(band)= 0.000252 trlgG= -0.018970 logG= -0.016279 TDE= -0.134709 logGD-logG0= -0.009504 tlogG= -0.006140 logG= -0.015643 Density= 0.138630 ETOT(band)= 0.001551 trlgG= -0.016936 logG= -0.015643 TDE= -0.134417 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009740 tlogG= -0.006523 logG= -0.016263 Density= 0.143130 ETOT(band)= 0.004416 trlgG= -0.015004 logG= -0.016263 TDE= -0.136186 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019444 tlogG= -0.012773 logG= -0.032217 Density= 0.285168 ETOT(band)= 0.008310 trlgG= -0.030120 logG= -0.032217 TDE= -0.271745 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018948 tlogG= -0.011968 logG= -0.030916 Density= 0.277903 ETOT(band)= 0.004022 trlgG= -0.032829 logG= -0.030916 TDE= -0.268779 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018967 tlogG= -0.012117 logG= -0.031084 Density= 0.278218 ETOT(band)= 0.004038 trlgG= -0.033022 logG= -0.031084 TDE= -0.269106 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018838 tlogG= -0.013711 logG= -0.032549 Density= 0.275121 ETOT(band)= 0.001125 trlgG= -0.037177 logG= -0.032549 TDE= -0.268822 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019050 tlogG= -0.010852 logG= -0.029902 Density= 0.271587 ETOT(band)= -0.001893 trlgG= -0.037576 logG= -0.029902 TDE= -0.268475 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019203 tlogG= -0.012067 logG= -0.031270 Density= 0.281464 ETOT(band)= 0.006911 trlgG= -0.030310 logG= -0.031270 TDE= -0.269325 logGD-logG0= -0.018948 tlogG= -0.012266 logG= -0.031213 Density= 0.278027 ETOT(band)= 0.004437 trlgG= -0.032549 logG= -0.031213 TDE= -0.268322 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019140 tlogG= -0.010180 logG= -0.029320 Density= 0.264067 ETOT(band)= -0.008317 trlgG= -0.043099 logG= -0.029320 TDE= -0.267359 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019070 tlogG= -0.011462 logG= -0.030532 logGD-logG0= -0.018770 tlogG= -0.013757 logG= -0.032527 Density= 0.275432 ETOT(band)= 0.001272 trlgG= -0.035002 logG= -0.030532 TDE= -0.268963 Density= 0.275761 ETOT(band)= 0.002929 trlgG= -0.034959 logG= -0.032527 TDE= -0.267241 logGD-logG0= -0.018880 tlogG= -0.012356 logG= -0.031236 Density= 0.278901 ETOT(band)= 0.006459 trlgG= -0.030366 logG= -0.031236 TDE= -0.266954 logGD-logG0= -0.009537 tlogG= -0.005459 logG= -0.014996 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.133103 ETOT(band)= -0.003694 trlgG= -0.021411 logG= -0.014996 TDE= -0.134231 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019161 tlogG= -0.010465 logG= -0.029626 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278378 ETOT(band)= 0.004920 trlgG= -0.030525 logG= -0.029626 TDE= -0.268221 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019086 tlogG= -0.011685 logG= -0.030770 Density= 0.270164 ETOT(band)= -0.004482 trlgG= -0.040952 logG= -0.030770 TDE= -0.269615 logGD-logG0= -0.019097 tlogG= -0.010541 logG= -0.029637 Density= 0.274944 ETOT(band)= 0.002478 trlgG= -0.032903 logG= -0.029637 TDE= -0.267290 logGD-logG0= -0.018881 tlogG= -0.011652 logG= -0.030533 Density= 0.276561 ETOT(band)= 0.004007 trlgG= -0.032279 logG= -0.030533 TDE= -0.267323 logGD-logG0= -0.004853 tlogG= -0.003572 logG= -0.008425 logGD-logG0= -0.019483 tlogG= -0.012764 logG= -0.032248 Density= 0.074821 ETOT(band)= 0.005084 trlgG= -0.004978 logG= -0.008425 TDE= -0.068402 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.289572 ETOT(band)= 0.014864 trlgG= -0.023460 logG= -0.032248 TDE= -0.269284 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009756 tlogG= -0.005980 logG= -0.015737 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.144041 ETOT(band)= 0.006469 trlgG= -0.012301 logG= -0.015737 TDE= -0.134886 logGD-logG0= -0.009619 tlogG= -0.004871 logG= -0.014490 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.130927 ETOT(band)= -0.005252 trlgG= -0.022453 logG= -0.014490 TDE= -0.133690 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019180 tlogG= -0.010091 logG= -0.029271 Density= 0.267306 ETOT(band)= -0.005961 trlgG= -0.040750 logG= -0.029271 TDE= -0.268169 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009607 tlogG= -0.005203 logG= -0.014810 Density= 0.140062 ETOT(band)= 0.003036 trlgG= -0.014740 logG= -0.014810 TDE= -0.134429 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019240 tlogG= -0.011146 logG= -0.030387 Density= 0.278323 ETOT(band)= 0.003897 trlgG= -0.032364 logG= -0.030387 TDE= -0.269247 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019306 tlogG= -0.011916 logG= -0.031222 Density= 0.280275 ETOT(band)= 0.004462 trlgG= -0.032810 logG= -0.031222 TDE= -0.270731 logGD-logG0= -0.019135 tlogG= -0.010610 logG= -0.029745 Density= 0.272509 ETOT(band)= -0.001585 trlgG= -0.036949 logG= -0.029745 TDE= -0.268890 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009544 tlogG= -0.005138 logG= -0.014682 Density= 0.136477 ETOT(band)= -0.000388 trlgG= -0.017740 logG= -0.014682 TDE= -0.134115 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009552 tlogG= -0.005493 logG= -0.015046 Density= 0.135902 ETOT(band)= -0.001247 trlgG= -0.018985 logG= -0.015046 TDE= -0.134444 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009564 tlogG= -0.005275 logG= -0.014838 Density= 0.136975 ETOT(band)= -0.000016 trlgG= -0.017617 logG= -0.014838 TDE= -0.134313 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004781 tlogG= -0.002656 logG= -0.007437 Density= 0.068637 ETOT(band)= 0.000082 trlgG= -0.008783 logG= -0.007437 TDE= -0.067258 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000386 tlogG= 0.008635 logG= 0.008249 Density= 0.005716 ETOT(band)= 0.000062 trlgG= 0.008207 logG= 0.008249 TDE= -0.005530 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.002327 tlogG= -0.002346 logG= -0.004673 Density= 0.034875 ETOT(band)= 0.000932 trlgG= -0.004374 logG= -0.004673 TDE= -0.033191 logGD-logG0= -0.002428 tlogG= -0.001869 logG= -0.004297 Density= 0.036960 ETOT(band)= 0.002610 trlgG= -0.002470 logG= -0.004297 TDE= -0.033666 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009301 tlogG= -0.008819 logG= -0.018120 Density= 0.139406 ETOT(band)= 0.003661 trlgG= -0.016874 logG= -0.018120 TDE= -0.132624 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009396 tlogG= -0.007406 logG= -0.016802 Density= 0.137539 ETOT(band)= 0.001595 trlgG= -0.017718 logG= -0.016802 TDE= -0.132992 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002375 tlogG= -0.001971 logG= -0.004346 Density= 0.035796 ETOT(band)= 0.001759 trlgG= -0.003246 logG= -0.004346 TDE= -0.033274 logGD-logG0= -0.004668 tlogG= -0.004022 logG= -0.008690 Density= 0.069932 ETOT(band)= 0.002136 trlgG= -0.007787 logG= -0.008690 TDE= -0.066252 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009366 tlogG= -0.008437 logG= -0.017803 Density= 0.140850 ETOT(band)= 0.005029 trlgG= -0.015325 logG= -0.017803 TDE= -0.132779 logGD-logG0= -0.009333 tlogG= -0.007983 logG= -0.017315 Density= 0.138816 ETOT(band)= 0.003233 trlgG= -0.016491 logG= -0.017315 TDE= -0.132479 logGD-logG0= -0.009418 tlogG= -0.007331 logG= -0.016749 Density= 0.140983 ETOT(band)= 0.005228 trlgG= -0.014180 logG= -0.016749 TDE= -0.132815 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009350 tlogG= -0.007752 logG= -0.017102 Density= 0.138551 ETOT(band)= 0.002854 trlgG= -0.016607 logG= -0.017102 TDE= -0.132553 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009651 tlogG= -0.007187 logG= -0.016837 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.144826 ETOT(band)= 0.008342 trlgG= -0.011283 logG= -0.016837 TDE= -0.133520 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009454 tlogG= -0.006356 logG= -0.015810 Density= 0.137428 ETOT(band)= 0.001680 trlgG= -0.016930 logG= -0.015810 TDE= -0.133091 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009567 tlogG= -0.005326 logG= -0.014893 Density= 0.133879 ETOT(band)= -0.001793 trlgG= -0.019454 logG= -0.014893 TDE= -0.133122 logGD-logG0= -0.009404 tlogG= -0.006888 logG= -0.016292 Density= 0.139345 ETOT(band)= 0.003911 trlgG= -0.014958 logG= -0.016292 TDE= -0.132477 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018711 tlogG= -0.015769 logG= -0.034480 Density= 0.280376 ETOT(band)= 0.009051 trlgG= -0.030408 logG= -0.034480 TDE= -0.265169 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004759 tlogG= -0.002826 logG= -0.007585 Density= 0.068464 ETOT(band)= 0.000844 trlgG= -0.008124 logG= -0.007585 TDE= -0.066284 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009300 tlogG= -0.009049 logG= -0.018349 Density= 0.139602 ETOT(band)= 0.003852 trlgG= -0.016978 logG= -0.018349 TDE= -0.132687 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019052 tlogG= -0.013245 logG= -0.032298 Density= 0.284681 ETOT(band)= 0.012686 trlgG= -0.025290 logG= -0.032298 TDE= -0.266368 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018820 tlogG= -0.013986 logG= -0.032806 Density= 0.277530 ETOT(band)= 0.006202 trlgG= -0.031670 logG= -0.032806 TDE= -0.265371 logGD-logG0= -0.009607 tlogG= -0.005010 logG= -0.014617 Density= 0.130711 ETOT(band)= -0.004755 trlgG= -0.022068 logG= -0.014617 TDE= -0.132971 logGD-logG0= -0.009765 tlogG= -0.006725 logG= -0.016490 Density= 0.145737 ETOT(band)= 0.008835 trlgG= -0.010757 logG= -0.016490 TDE= -0.134216 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009462 tlogG= -0.007533 logG= -0.016996 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.142457 ETOT(band)= 0.006514 trlgG= -0.013139 logG= -0.016996 TDE= -0.132943 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009630 tlogG= -0.005698 logG= -0.015328 Density= 0.141553 ETOT(band)= 0.005491 trlgG= -0.012846 logG= -0.015328 TDE= -0.133449 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009441 tlogG= -0.006671 logG= -0.016111 Density= 0.140814 ETOT(band)= 0.005308 trlgG= -0.013571 logG= -0.016111 TDE= -0.132682 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018986 tlogG= -0.011700 logG= -0.030686 Density= 0.277082 ETOT(band)= 0.006017 trlgG= -0.030314 logG= -0.030686 TDE= -0.265706 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003090 tlogG= 0.069204 logG= 0.066114 logGD-logG0= -0.002318 tlogG= 0.051922 logG= 0.049604 Density= 0.034447 ETOT(band)= 0.000516 trlgG= 0.049499 logG= 0.049604 TDE= -0.033184 Density= 0.045845 ETOT(band)= 0.000621 trlgG= 0.065897 logG= 0.066114 TDE= -0.044241 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003100 tlogG= 0.069488 logG= 0.066388 Density= 0.046198 ETOT(band)= 0.000945 trlgG= 0.066520 logG= 0.066388 TDE= -0.044231 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003120 tlogG= 0.069886 logG= 0.066767 Density= 0.046270 ETOT(band)= 0.001046 trlgG= 0.067016 logG= 0.066767 TDE= -0.044183 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009296 tlogG= 0.208482 logG= 0.199187 Density= 0.138568 ETOT(band)= 0.002867 trlgG= 0.199535 logG= 0.199187 TDE= -0.132716 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004640 tlogG= 0.104058 logG= 0.099418 Density= 0.069138 ETOT(band)= 0.001265 trlgG= 0.099450 logG= 0.099418 TDE= -0.066360 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009333 tlogG= 0.209182 logG= 0.199849 Density= 0.139074 ETOT(band)= 0.003398 trlgG= 0.200764 logG= 0.199849 TDE= -0.132636 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.53567335591624 eV TrLogG= -13.8010576535009 eV Ratio to renormalize= 0.999999999720 rho-rho_expected= 0.000000004485 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 24) Finished k-point number 25 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 88) Finished k-point number 89 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 57) Finished k-point number 58 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 43) Finished k-point number 44 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 96) Finished k-point number 97 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 103) Finished k-point number 104 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931248690611036 0.927990722865017 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 9) Finished k-point number 10 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 22) Finished k-point number 23 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 35) Finished k-point number 36 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 44) Finished k-point number 45 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0653440358260 Density= 15.9977441104325 16.0000000000000 EF 13.3374578679395 Density= 16.4941875035118 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98028516 0.96028516 0.494188 -0.225589E-02 1 0.97028516 0.96028518 0.254736 -0.225589E-02 2 0.96528517 0.96028493 0.128996 -0.225589E-02 3 0.96278505 0.96028506 0.642523E-01 -0.225589E-02 4 0.96153505 0.96028499 0.312508E-01 -0.225589E-02 5 0.96091002 0.96028479 0.145630E-01 -0.225589E-02 6 0.96059740 0.96028489 0.616597E-02 -0.225589E-02 7 0.96044115 0.96028508 0.195581E-02 -0.225589E-02 8 0.96036866 0.96044115 -0.142904E-06 0.195581E-02 9 0.96036867 0.96036866 0.699920E-10 -0.142904E-06 Absolute convergence of |F(X)|. Difference in EF= 0.0011362007 EF set to : 13.0664802365 new EF (no-mixing): 13.0664802365 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001205 tlogG= -0.001247 logG= -0.002452 Density= 0.018971 ETOT(band)= 0.001230 trlgG= -0.001624 logG= -0.002452 TDE= -0.017391 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009615 tlogG= -0.009515 logG= -0.019129 Density= 0.151666 ETOT(band)= 0.010102 trlgG= -0.012255 logG= -0.019129 TDE= -0.138781 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002402 tlogG= -0.002400 logG= -0.004802 Density= 0.037892 ETOT(band)= 0.002557 trlgG= -0.003055 logG= -0.004802 TDE= -0.034644 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004803 tlogG= -0.004610 logG= -0.009414 Density= 0.075809 ETOT(band)= 0.005133 trlgG= -0.005896 logG= -0.009414 TDE= -0.069287 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002407 tlogG= -0.002076 logG= -0.004483 Density= 0.037452 ETOT(band)= 0.002601 trlgG= -0.002739 logG= -0.004483 TDE= -0.034224 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009662 tlogG= -0.006678 logG= -0.016340 Density= 0.143891 ETOT(band)= 0.005032 trlgG= -0.014484 logG= -0.016340 TDE= -0.136332 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009641 tlogG= -0.008051 logG= -0.017692 Density= 0.150576 ETOT(band)= 0.010530 trlgG= -0.010510 logG= -0.017692 TDE= -0.137426 logGD-logG0= -0.004823 tlogG= -0.004189 logG= -0.009012 Density= 0.075481 ETOT(band)= 0.005180 trlgG= -0.005513 logG= -0.009012 TDE= -0.068991 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009645 tlogG= -0.008657 logG= -0.018302 Density= 0.150770 ETOT(band)= 0.010605 trlgG= -0.011063 logG= -0.018302 TDE= -0.137556 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001572 tlogG= -0.001316 logG= -0.002888 Density= 0.022769 ETOT(band)= -0.000172 trlgG= -0.003504 logG= -0.002888 TDE= -0.022482 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009616 tlogG= -0.007792 logG= -0.017408 Density= 0.149972 ETOT(band)= 0.010976 trlgG= -0.009747 logG= -0.017408 TDE= -0.136367 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019281 tlogG= -0.015879 logG= -0.035160 Density= 0.301307 ETOT(band)= 0.020985 trlgG= -0.020875 logG= -0.035160 TDE= -0.275081 logGD-logG0= -0.009656 tlogG= -0.008789 logG= -0.018445 Density= 0.151207 ETOT(band)= 0.010584 trlgG= -0.011183 logG= -0.018445 TDE= -0.137952 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019258 tlogG= -0.014762 logG= -0.034020 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.299361 ETOT(band)= 0.021113 trlgG= -0.019412 logG= -0.034020 TDE= -0.272889 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009653 tlogG= -0.006632 logG= -0.016286 Density= 0.147365 ETOT(band)= 0.008558 trlgG= -0.010972 logG= -0.016286 TDE= -0.136212 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003137 tlogG= -0.002526 logG= -0.005663 Density= 0.045366 ETOT(band)= -0.000340 trlgG= -0.006932 logG= -0.005663 TDE= -0.044837 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003091 tlogG= -0.002603 logG= -0.005694 Density= 0.045867 ETOT(band)= 0.000571 trlgG= -0.005899 logG= -0.005694 TDE= -0.044253 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003119 tlogG= -0.002553 logG= -0.005672 Density= 0.045596 ETOT(band)= 0.000065 trlgG= -0.006461 logG= -0.005672 TDE= -0.044578 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009423 tlogG= -0.007454 logG= -0.016877 Density= 0.136714 ETOT(band)= -0.000697 trlgG= -0.020390 logG= -0.016877 TDE= -0.134809 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009415 tlogG= -0.007368 logG= -0.016783 Density= 0.136586 ETOT(band)= -0.000639 trlgG= -0.020255 logG= -0.016783 TDE= -0.134644 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009400 tlogG= -0.007294 logG= -0.016694 Density= 0.136633 ETOT(band)= -0.000246 trlgG= -0.019741 logG= -0.016694 TDE= -0.134265 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009432 tlogG= -0.006659 logG= -0.016092 Density= 0.137866 ETOT(band)= 0.000716 trlgG= -0.018305 logG= -0.016092 TDE= -0.134615 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009658 tlogG= -0.007556 logG= -0.017214 Density= 0.148998 ETOT(band)= 0.010827 trlgG= -0.009681 logG= -0.017214 TDE= -0.135560 logGD-logG0= -0.009719 tlogG= -0.007142 logG= -0.016861 Density= 0.147630 ETOT(band)= 0.009184 trlgG= -0.010947 logG= -0.016861 TDE= -0.135865 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009378 tlogG= -0.007328 logG= -0.016706 Density= 0.136859 ETOT(band)= 0.000155 trlgG= -0.019265 logG= -0.016706 TDE= -0.133994 logGD-logG0= -0.009697 tlogG= -0.006514 logG= -0.016211 Density= 0.142491 ETOT(band)= 0.004326 trlgG= -0.014936 logG= -0.016211 TDE= -0.135569 logGD-logG0= -0.009344 tlogG= -0.007363 logG= -0.016707 Density= 0.137293 ETOT(band)= 0.001048 trlgG= -0.018213 logG= -0.016707 TDE= -0.133357 logGD-logG0= -0.009528 tlogG= -0.006360 logG= -0.015889 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.140271 ETOT(band)= 0.003374 trlgG= -0.015316 logG= -0.015889 TDE= -0.134139 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009442 tlogG= -0.006626 logG= -0.016068 Density= 0.137814 ETOT(band)= 0.000745 trlgG= -0.018286 logG= -0.016068 TDE= -0.134571 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009428 tlogG= -0.006844 logG= -0.016271 logGD-logG0= -0.009375 tlogG= -0.006819 logG= -0.016194 Density= 0.139000 ETOT(band)= 0.002944 trlgG= -0.015851 logG= -0.016194 TDE= -0.133148 Density= 0.138429 ETOT(band)= 0.001652 trlgG= -0.017328 logG= -0.016271 TDE= -0.133999 logGD-logG0= -0.009488 tlogG= -0.005941 logG= -0.015429 Density= 0.138065 ETOT(band)= 0.001029 trlgG= -0.017322 logG= -0.015429 TDE= -0.134487 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009403 tlogG= -0.006526 logG= -0.015929 Density= 0.137638 ETOT(band)= 0.000983 trlgG= -0.017819 logG= -0.015929 TDE= -0.134073 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004761 tlogG= -0.003098 logG= -0.007859 logGD-logG0= -0.009599 tlogG= -0.006580 logG= -0.016179 Density= 0.067582 ETOT(band)= -0.001231 trlgG= -0.010506 logG= -0.007859 TDE= -0.067551 Density= 0.143478 ETOT(band)= 0.006767 trlgG= -0.012297 logG= -0.016179 TDE= -0.133910 logGD-logG0= -0.009510 tlogG= -0.005629 logG= -0.015139 Density= 0.133799 ETOT(band)= -0.003033 trlgG= -0.020956 logG= -0.015139 TDE= -0.134313 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009531 tlogG= -0.006020 logG= -0.015551 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.135848 ETOT(band)= -0.001447 trlgG= -0.019841 logG= -0.015551 TDE= -0.134754 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004773 tlogG= -0.002574 logG= -0.007347 Density= 0.065350 ETOT(band)= -0.002702 trlgG= -0.011318 logG= -0.007347 TDE= -0.066731 logGD-logG0= -0.009468 tlogG= -0.005621 logG= -0.015089 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136916 ETOT(band)= 0.000416 trlgG= -0.017596 logG= -0.015089 TDE= -0.133997 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009504 tlogG= -0.006141 logG= -0.015646 Density= 0.138630 ETOT(band)= 0.001561 trlgG= -0.016929 logG= -0.015646 TDE= -0.134419 logGD-logG0= -0.009425 tlogG= -0.006857 logG= -0.016282 Density= 0.137474 ETOT(band)= 0.000258 trlgG= -0.018968 logG= -0.016282 TDE= -0.134711 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018968 tlogG= -0.012116 logG= -0.031084 Density= 0.278221 ETOT(band)= 0.004062 trlgG= -0.033000 logG= -0.031084 TDE= -0.269111 logGD-logG0= -0.009740 tlogG= -0.006524 logG= -0.016264 Density= 0.143141 ETOT(band)= 0.004436 trlgG= -0.014986 logG= -0.016264 TDE= -0.136189 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019446 tlogG= -0.012774 logG= -0.032220 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.285186 ETOT(band)= 0.008348 trlgG= -0.030087 logG= -0.032220 TDE= -0.271751 logGD-logG0= -0.018841 tlogG= -0.013713 logG= -0.032553 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.275115 ETOT(band)= 0.001142 trlgG= -0.037169 logG= -0.032553 TDE= -0.268827 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018949 tlogG= -0.011970 logG= -0.030919 Density= 0.277906 ETOT(band)= 0.004046 trlgG= -0.032811 logG= -0.030919 TDE= -0.268784 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019047 tlogG= -0.010847 logG= -0.029893 Density= 0.271578 ETOT(band)= -0.001885 trlgG= -0.037558 logG= -0.029893 TDE= -0.268480 logGD-logG0= -0.019138 tlogG= -0.010178 logG= -0.029317 Density= 0.264064 ETOT(band)= -0.008302 trlgG= -0.043081 logG= -0.029317 TDE= -0.267363 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000386 tlogG= 0.008635 logG= 0.008250 Density= 0.005716 ETOT(band)= 0.000062 trlgG= 0.008208 logG= 0.008250 TDE= -0.005530 logGD-logG0= -0.018880 tlogG= -0.012354 logG= -0.031234 Density= 0.278897 ETOT(band)= 0.006476 trlgG= -0.030349 logG= -0.031234 TDE= -0.266959 logGD-logG0= -0.019070 tlogG= -0.011459 logG= -0.030529 Density= 0.275440 ETOT(band)= 0.001300 trlgG= -0.034974 logG= -0.030529 TDE= -0.268968 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019204 tlogG= -0.012069 logG= -0.031273 logGD-logG0= -0.019163 tlogG= -0.010464 logG= -0.029627 logGD-logG0= -0.019085 tlogG= -0.011684 logG= -0.030770 Density= 0.270155 ETOT(band)= -0.004471 trlgG= -0.040941 logG= -0.030770 TDE= -0.269619 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278404 ETOT(band)= 0.004967 trlgG= -0.030483 logG= -0.029627 TDE= -0.268226 Density= 0.281474 ETOT(band)= 0.006941 trlgG= -0.030284 logG= -0.031273 TDE= -0.269331 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018948 tlogG= -0.012254 logG= -0.031202 Density= 0.278023 ETOT(band)= 0.004455 trlgG= -0.032524 logG= -0.031202 TDE= -0.268327 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004853 tlogG= -0.003573 logG= -0.008426 Density= 0.074819 ETOT(band)= 0.005087 trlgG= -0.004976 logG= -0.008426 TDE= -0.068404 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018769 tlogG= -0.013758 logG= -0.032527 Density= 0.275753 ETOT(band)= 0.002943 trlgG= -0.034947 logG= -0.032527 TDE= -0.267245 logGD-logG0= -0.019484 tlogG= -0.012767 logG= -0.032251 Density= 0.289578 ETOT(band)= 0.014892 trlgG= -0.023439 logG= -0.032251 TDE= -0.269290 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018868 tlogG= -0.011643 logG= -0.030511 logGD-logG0= -0.009537 tlogG= -0.005459 logG= -0.014996 Density= 0.276553 ETOT(band)= 0.004011 trlgG= -0.032246 logG= -0.030511 TDE= -0.267327 Density= 0.133097 ETOT(band)= -0.003689 trlgG= -0.021407 logG= -0.014996 TDE= -0.134233 logGD-logG0= -0.009618 tlogG= -0.004868 logG= -0.014486 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019306 tlogG= -0.011915 logG= -0.031221 Density= 0.280285 ETOT(band)= 0.004491 trlgG= -0.032780 logG= -0.031221 TDE= -0.270737 Density= 0.130941 ETOT(band)= -0.005230 trlgG= -0.022427 logG= -0.014486 TDE= -0.133693 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019096 tlogG= -0.010539 logG= -0.029636 logGD-logG0= -0.009757 tlogG= -0.005981 logG= -0.015738 Density= 0.144046 ETOT(band)= 0.006484 trlgG= -0.012289 logG= -0.015738 TDE= -0.134888 Density= 0.274972 ETOT(band)= 0.002525 trlgG= -0.032857 logG= -0.029636 TDE= -0.267295 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019241 tlogG= -0.011145 logG= -0.030386 Density= 0.278323 ETOT(band)= 0.003916 trlgG= -0.032346 logG= -0.030386 TDE= -0.269252 logGD-logG0= -0.009607 tlogG= -0.005203 logG= -0.014810 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.140065 ETOT(band)= 0.003049 trlgG= -0.014728 logG= -0.014810 TDE= -0.134432 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019136 tlogG= -0.010611 logG= -0.029748 Density= 0.272514 ETOT(band)= -0.001560 trlgG= -0.036928 logG= -0.029748 TDE= -0.268894 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019179 tlogG= -0.010088 logG= -0.029267 Density= 0.267324 ETOT(band)= -0.005924 trlgG= -0.040711 logG= -0.029267 TDE= -0.268174 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004781 tlogG= -0.002656 logG= -0.007437 Density= 0.068637 ETOT(band)= 0.000086 trlgG= -0.008779 logG= -0.007437 TDE= -0.067259 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009553 tlogG= -0.005494 logG= -0.015047 logGD-logG0= -0.009545 tlogG= -0.005139 logG= -0.014684 Density= 0.135901 ETOT(band)= -0.001237 trlgG= -0.018978 logG= -0.015047 TDE= -0.134446 Density= 0.136479 ETOT(band)= -0.000375 trlgG= -0.017730 logG= -0.014684 TDE= -0.134117 logGD-logG0= -0.009564 tlogG= -0.005275 logG= -0.014839 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136977 ETOT(band)= -0.000004 trlgG= -0.017606 logG= -0.014839 TDE= -0.134316 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002428 tlogG= -0.001869 logG= -0.004297 Density= 0.036960 ETOT(band)= 0.002612 trlgG= -0.002469 logG= -0.004297 TDE= -0.033666 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009301 tlogG= -0.008819 logG= -0.018120 Density= 0.139404 ETOT(band)= 0.003670 trlgG= -0.016866 logG= -0.018120 TDE= -0.132626 logGD-logG0= -0.002327 tlogG= -0.002346 logG= -0.004673 Density= 0.034874 ETOT(band)= 0.000935 trlgG= -0.004372 logG= -0.004673 TDE= -0.033192 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009351 tlogG= -0.007754 logG= -0.017106 Density= 0.138548 ETOT(band)= 0.002863 trlgG= -0.016603 logG= -0.017106 TDE= -0.132555 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009396 tlogG= -0.007407 logG= -0.016803 Density= 0.137535 ETOT(band)= 0.001602 trlgG= -0.017713 logG= -0.016803 TDE= -0.132994 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009418 tlogG= -0.007332 logG= -0.016749 Density= 0.140983 ETOT(band)= 0.005239 trlgG= -0.014171 logG= -0.016749 TDE= -0.132817 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002375 tlogG= -0.001971 logG= -0.004346 Density= 0.035797 ETOT(band)= 0.001762 trlgG= -0.003243 logG= -0.004346 TDE= -0.033275 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009366 tlogG= -0.008437 logG= -0.017803 Density= 0.140850 ETOT(band)= 0.005040 trlgG= -0.015316 logG= -0.017803 TDE= -0.132781 logGD-logG0= -0.004668 tlogG= -0.004023 logG= -0.008691 logGD-logG0= -0.009333 tlogG= -0.007983 logG= -0.017316 Density= 0.069931 ETOT(band)= 0.002140 trlgG= -0.007784 logG= -0.008691 TDE= -0.066253 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.138814 ETOT(band)= 0.003242 trlgG= -0.016484 logG= -0.017316 TDE= -0.132481 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009651 tlogG= -0.007187 logG= -0.016838 Density= 0.144828 ETOT(band)= 0.008354 trlgG= -0.011273 logG= -0.016838 TDE= -0.133523 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009405 tlogG= -0.006889 logG= -0.016294 Density= 0.139343 ETOT(band)= 0.003921 trlgG= -0.014952 logG= -0.016294 TDE= -0.132479 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009454 tlogG= -0.006355 logG= -0.015809 Density= 0.137425 ETOT(band)= 0.001688 trlgG= -0.016923 logG= -0.015809 TDE= -0.133092 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004759 tlogG= -0.002825 logG= -0.007584 Density= 0.068464 ETOT(band)= 0.000849 trlgG= -0.008118 logG= -0.007584 TDE= -0.066285 logGD-logG0= -0.009567 tlogG= -0.005327 logG= -0.014894 Density= 0.133880 ETOT(band)= -0.001782 trlgG= -0.019444 logG= -0.014894 TDE= -0.133124 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018711 tlogG= -0.015770 logG= -0.034481 Density= 0.280374 ETOT(band)= 0.009070 trlgG= -0.030391 logG= -0.034481 TDE= -0.265173 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009765 tlogG= -0.006727 logG= -0.016491 Density= 0.145737 ETOT(band)= 0.008845 trlgG= -0.010749 logG= -0.016491 TDE= -0.134219 logGD-logG0= -0.009300 tlogG= -0.009049 logG= -0.018349 Density= 0.139600 ETOT(band)= 0.003862 trlgG= -0.016971 logG= -0.018349 TDE= -0.132689 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019054 tlogG= -0.013246 logG= -0.032300 Density= 0.284686 ETOT(band)= 0.012712 trlgG= -0.025269 logG= -0.032300 TDE= -0.266373 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009608 tlogG= -0.005010 logG= -0.014618 Density= 0.130726 ETOT(band)= -0.004730 trlgG= -0.022046 logG= -0.014618 TDE= -0.132973 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009463 tlogG= -0.007534 logG= -0.016997 Density= 0.142459 ETOT(band)= 0.006526 trlgG= -0.013129 logG= -0.016997 TDE= -0.132945 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009631 tlogG= -0.005699 logG= -0.015329 Density= 0.141559 ETOT(band)= 0.005508 trlgG= -0.012832 logG= -0.015329 TDE= -0.133452 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018821 tlogG= -0.013983 logG= -0.032803 Density= 0.277526 ETOT(band)= 0.006221 trlgG= -0.031650 logG= -0.032803 TDE= -0.265375 logGD-logG0= -0.018987 tlogG= -0.011704 logG= -0.030692 Density= 0.277088 ETOT(band)= 0.006044 trlgG= -0.030296 logG= -0.030692 TDE= -0.265711 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009443 tlogG= -0.006674 logG= -0.016117 Density= 0.140817 ETOT(band)= 0.005324 trlgG= -0.013564 logG= -0.016117 TDE= -0.132684 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003090 tlogG= 0.069210 logG= 0.066121 Density= 0.045844 ETOT(band)= 0.000623 trlgG= 0.065905 logG= 0.066121 TDE= -0.044242 logGD-logG0= -0.003120 tlogG= 0.069893 logG= 0.066773 Density= 0.046269 ETOT(band)= 0.001049 trlgG= 0.067025 logG= 0.066773 TDE= -0.044184 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003100 tlogG= 0.069494 logG= 0.066394 Density= 0.046197 ETOT(band)= 0.000947 trlgG= 0.066529 logG= 0.066394 TDE= -0.044231 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002318 tlogG= 0.051927 logG= 0.049609 Density= 0.034446 ETOT(band)= 0.000518 trlgG= 0.049505 logG= 0.049609 TDE= -0.033185 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004640 tlogG= 0.104068 logG= 0.099429 Density= 0.069136 ETOT(band)= 0.001269 trlgG= 0.099464 logG= 0.099429 TDE= -0.066361 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009296 tlogG= 0.208501 logG= 0.199205 Density= 0.138565 ETOT(band)= 0.002875 trlgG= 0.199561 logG= 0.199205 TDE= -0.132717 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009333 tlogG= 0.209200 logG= 0.199868 Density= 0.139071 ETOT(band)= 0.003406 trlgG= 0.200790 logG= 0.199868 TDE= -0.132638 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.55178019171343 eV TrLogG= -13.7859826065041 eV Ratio to renormalize= 0.999999999715 rho-rho_expected= 0.000000004555 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 55) Finished k-point number 56 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 65) Finished k-point number 66 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 60) Finished k-point number 61 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 69) Finished k-point number 70 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 95) Finished k-point number 96 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 92) Finished k-point number 93 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 84) Finished k-point number 85 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 103) Finished k-point number 104 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931315492552632 0.927943427390624 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 11) Finished k-point number 12 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 26 55) Finished k-point number 56 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 26 49) Finished k-point number 50 1 with #bands= 20 8) Finished k-point number 9 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 10) Finished k-point number 11 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 87) Finished k-point number 88 1 with #bands= 18 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0664802364839 Density= 16.0010578066139 16.0000000000000 EF 12.7943664043703 Density= 15.3699323765728 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96036867 0.94036867 0.105781E-02 -0.630068 1 0.96033515 0.94036867 0.153217E-03 -0.630068 2 0.96032947 0.96033515 -0.328019E-08 0.153217E-03 3 0.96032947 0.96032947 0.120792E-12 -0.328019E-08 Absolute convergence of |F(X)|. Difference in EF= -0.0005333095 EF set to : 13.0659469270 new EF (no-mixing): 13.0659469270 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001205 tlogG= -0.001247 logG= -0.002452 Density= 0.018971 ETOT(band)= 0.001230 trlgG= -0.001624 logG= -0.002452 TDE= -0.017391 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009614 tlogG= -0.009514 logG= -0.019129 Density= 0.151669 ETOT(band)= 0.010100 trlgG= -0.012256 logG= -0.019129 TDE= -0.138779 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002402 tlogG= -0.002399 logG= -0.004801 Density= 0.037893 ETOT(band)= 0.002556 trlgG= -0.003055 logG= -0.004801 TDE= -0.034644 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004803 tlogG= -0.004610 logG= -0.009413 Density= 0.075810 ETOT(band)= 0.005132 trlgG= -0.005896 logG= -0.009413 TDE= -0.069286 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002407 tlogG= -0.002076 logG= -0.004483 Density= 0.037453 ETOT(band)= 0.002600 trlgG= -0.002739 logG= -0.004483 TDE= -0.034223 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001572 tlogG= -0.001316 logG= -0.002888 Density= 0.022769 ETOT(band)= -0.000173 trlgG= -0.003504 logG= -0.002888 TDE= -0.022482 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009662 tlogG= -0.006680 logG= -0.016342 Density= 0.143884 ETOT(band)= 0.005020 trlgG= -0.014497 logG= -0.016342 TDE= -0.136331 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004823 tlogG= -0.004188 logG= -0.009011 Density= 0.075481 ETOT(band)= 0.005178 trlgG= -0.005514 logG= -0.009011 TDE= -0.068990 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009641 tlogG= -0.008051 logG= -0.017692 Density= 0.150580 ETOT(band)= 0.010530 trlgG= -0.010510 logG= -0.017692 TDE= -0.137425 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009645 tlogG= -0.008656 logG= -0.018301 Density= 0.150773 ETOT(band)= 0.010603 trlgG= -0.011063 logG= -0.018301 TDE= -0.137554 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009615 tlogG= -0.007792 logG= -0.017407 Density= 0.149974 ETOT(band)= 0.010974 trlgG= -0.009748 logG= -0.017407 TDE= -0.136366 logGD-logG0= -0.009656 tlogG= -0.008788 logG= -0.018444 Density= 0.151209 ETOT(band)= 0.010582 trlgG= -0.011184 logG= -0.018444 TDE= -0.137950 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019257 tlogG= -0.014760 logG= -0.034017 Density= 0.299367 ETOT(band)= 0.021109 trlgG= -0.019413 logG= -0.034017 TDE= -0.272886 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019281 tlogG= -0.015877 logG= -0.035158 Density= 0.301312 ETOT(band)= 0.020980 trlgG= -0.020877 logG= -0.035158 TDE= -0.275078 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009653 tlogG= -0.006631 logG= -0.016285 Density= 0.147365 ETOT(band)= 0.008553 trlgG= -0.010976 logG= -0.016285 TDE= -0.136210 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003137 tlogG= -0.002526 logG= -0.005663 Density= 0.045367 ETOT(band)= -0.000341 trlgG= -0.006932 logG= -0.005663 TDE= -0.044837 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003091 tlogG= -0.002603 logG= -0.005693 Density= 0.045868 ETOT(band)= 0.000570 trlgG= -0.005899 logG= -0.005693 TDE= -0.044253 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009423 tlogG= -0.007455 logG= -0.016878 Density= 0.136715 ETOT(band)= -0.000700 trlgG= -0.020394 logG= -0.016878 TDE= -0.134808 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003119 tlogG= -0.002553 logG= -0.005672 Density= 0.045597 ETOT(band)= 0.000064 trlgG= -0.006463 logG= -0.005672 TDE= -0.044578 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009415 tlogG= -0.007369 logG= -0.016784 Density= 0.136589 ETOT(band)= -0.000642 trlgG= -0.020257 logG= -0.016784 TDE= -0.134643 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009432 tlogG= -0.006660 logG= -0.016092 Density= 0.137867 ETOT(band)= 0.000712 trlgG= -0.018308 logG= -0.016092 TDE= -0.134614 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009400 tlogG= -0.007294 logG= -0.016695 Density= 0.136635 ETOT(band)= -0.000249 trlgG= -0.019745 logG= -0.016695 TDE= -0.134264 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009344 tlogG= -0.007358 logG= -0.016702 Density= 0.137295 ETOT(band)= 0.001046 trlgG= -0.018210 logG= -0.016702 TDE= -0.133357 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009719 tlogG= -0.007142 logG= -0.016861 Density= 0.147635 ETOT(band)= 0.009184 trlgG= -0.010946 logG= -0.016861 TDE= -0.135864 logGD-logG0= -0.009405 tlogG= -0.006528 logG= -0.015933 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137638 ETOT(band)= 0.000980 trlgG= -0.017827 logG= -0.015933 TDE= -0.134072 logGD-logG0= -0.009697 tlogG= -0.006515 logG= -0.016212 Density= 0.142487 ETOT(band)= 0.004318 trlgG= -0.014945 logG= -0.016212 TDE= -0.135567 logGD-logG0= -0.009441 tlogG= -0.006626 logG= -0.016067 logGD-logG0= -0.009658 tlogG= -0.007555 logG= -0.017212 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137816 ETOT(band)= 0.000741 trlgG= -0.018288 logG= -0.016067 TDE= -0.134570 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.149000 ETOT(band)= 0.010824 trlgG= -0.009682 logG= -0.017212 TDE= -0.135559 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009375 tlogG= -0.006821 logG= -0.016196 Density= 0.138999 ETOT(band)= 0.002939 trlgG= -0.015858 logG= -0.016196 TDE= -0.133147 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009378 tlogG= -0.007324 logG= -0.016703 Density= 0.136860 ETOT(band)= 0.000152 trlgG= -0.019265 logG= -0.016703 TDE= -0.133993 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009488 tlogG= -0.005942 logG= -0.015430 logGD-logG0= -0.009528 tlogG= -0.006361 logG= -0.015889 Density= 0.140271 ETOT(band)= 0.003369 trlgG= -0.015320 logG= -0.015889 TDE= -0.134138 Density= 0.138065 ETOT(band)= 0.001024 trlgG= -0.017328 logG= -0.015430 TDE= -0.134486 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009598 tlogG= -0.006577 logG= -0.016175 logGD-logG0= -0.004773 tlogG= -0.002574 logG= -0.007347 Density= 0.065351 ETOT(band)= -0.002703 trlgG= -0.011319 logG= -0.007347 TDE= -0.066731 Density= 0.143474 ETOT(band)= 0.006758 trlgG= -0.012301 logG= -0.016175 TDE= -0.133908 logGD-logG0= -0.009428 tlogG= -0.006842 logG= -0.016269 Density= 0.138430 ETOT(band)= 0.001649 trlgG= -0.017330 logG= -0.016269 TDE= -0.133998 logGD-logG0= -0.004761 tlogG= -0.003098 logG= -0.007859 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.067584 ETOT(band)= -0.001232 trlgG= -0.010507 logG= -0.007859 TDE= -0.067550 logGD-logG0= -0.009511 tlogG= -0.005629 logG= -0.015141 Density= 0.133798 ETOT(band)= -0.003038 trlgG= -0.020962 logG= -0.015141 TDE= -0.134312 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009468 tlogG= -0.005620 logG= -0.015089 Density= 0.136917 ETOT(band)= 0.000414 trlgG= -0.017599 logG= -0.015089 TDE= -0.133996 logGD-logG0= -0.009504 tlogG= -0.006139 logG= -0.015644 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138630 ETOT(band)= 0.001556 trlgG= -0.016931 logG= -0.015644 TDE= -0.134418 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009425 tlogG= -0.006856 logG= -0.016281 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137476 ETOT(band)= 0.000256 trlgG= -0.018969 logG= -0.016281 TDE= -0.134710 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009531 tlogG= -0.006019 logG= -0.015550 Density= 0.135851 ETOT(band)= -0.001449 trlgG= -0.019841 logG= -0.015550 TDE= -0.134753 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018949 tlogG= -0.011963 logG= -0.030912 Density= 0.277909 ETOT(band)= 0.004040 trlgG= -0.032809 logG= -0.030912 TDE= -0.268781 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019445 tlogG= -0.012773 logG= -0.032218 Density= 0.285181 ETOT(band)= 0.008334 trlgG= -0.030099 logG= -0.032218 TDE= -0.271748 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009740 tlogG= -0.006524 logG= -0.016264 Density= 0.143135 ETOT(band)= 0.004426 trlgG= -0.014996 logG= -0.016264 TDE= -0.136188 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018880 tlogG= -0.012358 logG= -0.031238 Density= 0.278897 ETOT(band)= 0.006467 trlgG= -0.030362 logG= -0.031238 TDE= -0.266957 logGD-logG0= -0.018968 tlogG= -0.012114 logG= -0.031082 Density= 0.278219 ETOT(band)= 0.004050 trlgG= -0.033010 logG= -0.031082 TDE= -0.269109 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019203 tlogG= -0.012069 logG= -0.031272 Density= 0.281471 ETOT(band)= 0.006929 trlgG= -0.030295 logG= -0.031272 TDE= -0.269328 logGD-logG0= -0.019048 tlogG= -0.010852 logG= -0.029901 logGD-logG0= -0.000386 tlogG= 0.008635 logG= 0.008249 Density= 0.271589 ETOT(band)= -0.001882 trlgG= -0.037563 logG= -0.029901 TDE= -0.268477 Density= 0.005716 ETOT(band)= 0.000062 trlgG= 0.008208 logG= 0.008249 TDE= -0.005530 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018839 tlogG= -0.013710 logG= -0.032549 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.275116 ETOT(band)= 0.001132 trlgG= -0.037171 logG= -0.032549 TDE= -0.268824 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.018770 tlogG= -0.013758 logG= -0.032528 Density= 0.275755 ETOT(band)= 0.002935 trlgG= -0.034955 logG= -0.032528 TDE= -0.267243 logGD-logG0= -0.019070 tlogG= -0.011459 logG= -0.030529 logGD-logG0= -0.019139 tlogG= -0.010178 logG= -0.029317 Density= 0.264066 ETOT(band)= -0.008309 trlgG= -0.043088 logG= -0.029317 TDE= -0.267361 Density= 0.275435 ETOT(band)= 0.001287 trlgG= -0.034986 logG= -0.030529 TDE= -0.268966 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019164 tlogG= -0.010458 logG= -0.029622 Density= 0.278404 ETOT(band)= 0.004958 trlgG= -0.030486 logG= -0.029622 TDE= -0.268223 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018947 tlogG= -0.012267 logG= -0.031215 Density= 0.278028 ETOT(band)= 0.004448 trlgG= -0.032541 logG= -0.031215 TDE= -0.268324 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009619 tlogG= -0.004871 logG= -0.014490 Density= 0.130941 ETOT(band)= -0.005234 trlgG= -0.022435 logG= -0.014490 TDE= -0.133692 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004853 tlogG= -0.003572 logG= -0.008426 Density= 0.074819 ETOT(band)= 0.005085 trlgG= -0.004977 logG= -0.008426 TDE= -0.068403 logGD-logG0= -0.019086 tlogG= -0.011684 logG= -0.030770 logGD-logG0= -0.009536 tlogG= -0.005455 logG= -0.014991 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.270160 ETOT(band)= -0.004475 trlgG= -0.040945 logG= -0.030770 TDE= -0.269618 logGD-logG0= -0.019483 tlogG= -0.012764 logG= -0.032247 logGD-logG0= -0.019097 tlogG= -0.010540 logG= -0.029637 Density= 0.274964 ETOT(band)= 0.002509 trlgG= -0.032873 logG= -0.029637 TDE= -0.267293 Density= 0.289583 ETOT(band)= 0.014886 trlgG= -0.023440 logG= -0.032247 TDE= -0.269288 Density= 0.133084 ETOT(band)= -0.003708 trlgG= -0.021419 logG= -0.014991 TDE= -0.134232 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018872 tlogG= -0.011639 logG= -0.030511 Density= 0.276557 ETOT(band)= 0.004008 trlgG= -0.032251 logG= -0.030511 TDE= -0.267325 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019241 tlogG= -0.011147 logG= -0.030389 Density= 0.278325 ETOT(band)= 0.003909 trlgG= -0.032355 logG= -0.030389 TDE= -0.269250 logGD-logG0= -0.009606 tlogG= -0.005202 logG= -0.014808 Density= 0.140056 ETOT(band)= 0.003035 trlgG= -0.014738 logG= -0.014808 TDE= -0.134431 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019136 tlogG= -0.010613 logG= -0.029749 Density= 0.272519 ETOT(band)= -0.001564 trlgG= -0.036933 logG= -0.029749 TDE= -0.268892 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019180 tlogG= -0.010085 logG= -0.029265 Density= 0.267289 ETOT(band)= -0.005967 trlgG= -0.040752 logG= -0.029265 TDE= -0.268171 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019306 tlogG= -0.011915 logG= -0.031221 Density= 0.280284 ETOT(band)= 0.004481 trlgG= -0.032791 logG= -0.031221 TDE= -0.270734 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009756 tlogG= -0.005981 logG= -0.015737 Density= 0.144043 ETOT(band)= 0.006476 trlgG= -0.012295 logG= -0.015737 TDE= -0.134887 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009545 tlogG= -0.005139 logG= -0.014684 Density= 0.136479 ETOT(band)= -0.000379 trlgG= -0.017735 logG= -0.014684 TDE= -0.134116 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009564 tlogG= -0.005275 logG= -0.014838 Density= 0.136976 ETOT(band)= -0.000010 trlgG= -0.017611 logG= -0.014838 TDE= -0.134315 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009554 tlogG= -0.005495 logG= -0.015049 Density= 0.135901 ETOT(band)= -0.001241 trlgG= -0.018984 logG= -0.015049 TDE= -0.134445 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004781 tlogG= -0.002656 logG= -0.007437 Density= 0.068637 ETOT(band)= 0.000084 trlgG= -0.008781 logG= -0.007437 TDE= -0.067258 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002428 tlogG= -0.001869 logG= -0.004297 Density= 0.036960 ETOT(band)= 0.002611 trlgG= -0.002470 logG= -0.004297 TDE= -0.033666 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002327 tlogG= -0.002346 logG= -0.004673 Density= 0.034874 ETOT(band)= 0.000933 trlgG= -0.004373 logG= -0.004673 TDE= -0.033192 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009396 tlogG= -0.007407 logG= -0.016803 Density= 0.137536 ETOT(band)= 0.001598 trlgG= -0.017716 logG= -0.016803 TDE= -0.132993 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009301 tlogG= -0.008819 logG= -0.018120 Density= 0.139405 ETOT(band)= 0.003666 trlgG= -0.016870 logG= -0.018120 TDE= -0.132625 logGD-logG0= -0.009351 tlogG= -0.007755 logG= -0.017106 Density= 0.138549 ETOT(band)= 0.002859 trlgG= -0.016607 logG= -0.017106 TDE= -0.132554 logGD-logG0= -0.002375 tlogG= -0.001971 logG= -0.004346 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.035797 ETOT(band)= 0.001761 trlgG= -0.003244 logG= -0.004346 TDE= -0.033275 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004668 tlogG= -0.004023 logG= -0.008691 Density= 0.069931 ETOT(band)= 0.002138 trlgG= -0.007786 logG= -0.008691 TDE= -0.066253 logGD-logG0= -0.009418 tlogG= -0.007331 logG= -0.016749 Density= 0.140982 ETOT(band)= 0.005233 trlgG= -0.014175 logG= -0.016749 TDE= -0.132816 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009333 tlogG= -0.007983 logG= -0.017316 Density= 0.138815 ETOT(band)= 0.003238 trlgG= -0.016487 logG= -0.017316 TDE= -0.132480 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009366 tlogG= -0.008436 logG= -0.017801 Density= 0.140850 ETOT(band)= 0.005035 trlgG= -0.015319 logG= -0.017801 TDE= -0.132780 logGD-logG0= -0.009651 tlogG= -0.007187 logG= -0.016838 Density= 0.144827 ETOT(band)= 0.008349 trlgG= -0.011278 logG= -0.016838 TDE= -0.133522 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009454 tlogG= -0.006355 logG= -0.015810 Density= 0.137426 ETOT(band)= 0.001684 trlgG= -0.016927 logG= -0.015810 TDE= -0.133091 logGD-logG0= -0.009567 tlogG= -0.005327 logG= -0.014894 Density= 0.133883 ETOT(band)= -0.001783 trlgG= -0.019446 logG= -0.014894 TDE= -0.133123 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009405 tlogG= -0.006889 logG= -0.016294 Density= 0.139343 ETOT(band)= 0.003917 trlgG= -0.014956 logG= -0.016294 TDE= -0.132478 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004759 tlogG= -0.002826 logG= -0.007585 Density= 0.068471 ETOT(band)= 0.000854 trlgG= -0.008115 logG= -0.007585 TDE= -0.066284 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019053 tlogG= -0.013245 logG= -0.032298 Density= 0.284685 ETOT(band)= 0.012701 trlgG= -0.025277 logG= -0.032298 TDE= -0.266370 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018710 tlogG= -0.015769 logG= -0.034480 Density= 0.280374 ETOT(band)= 0.009060 trlgG= -0.030399 logG= -0.034480 TDE= -0.265171 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009300 tlogG= -0.009049 logG= -0.018349 Density= 0.139601 ETOT(band)= 0.003857 trlgG= -0.016974 logG= -0.018349 TDE= -0.132688 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009607 tlogG= -0.005009 logG= -0.014616 Density= 0.130714 ETOT(band)= -0.004746 trlgG= -0.022060 logG= -0.014616 TDE= -0.132972 logGD-logG0= -0.009765 tlogG= -0.006726 logG= -0.016490 Density= 0.145736 ETOT(band)= 0.008840 trlgG= -0.010753 logG= -0.016490 TDE= -0.134217 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009463 tlogG= -0.007534 logG= -0.016996 Density= 0.142458 ETOT(band)= 0.006521 trlgG= -0.013134 logG= -0.016996 TDE= -0.132944 logGD-logG0= -0.009630 tlogG= -0.005698 logG= -0.015329 Density= 0.141556 ETOT(band)= 0.005500 trlgG= -0.012838 logG= -0.015329 TDE= -0.133450 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018990 tlogG= -0.011708 logG= -0.030698 Density= 0.277094 ETOT(band)= 0.006043 trlgG= -0.030305 logG= -0.030698 TDE= -0.265708 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018820 tlogG= -0.013981 logG= -0.032801 Density= 0.277529 ETOT(band)= 0.006213 trlgG= -0.031655 logG= -0.032801 TDE= -0.265373 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009441 tlogG= -0.006671 logG= -0.016113 Density= 0.140815 ETOT(band)= 0.005315 trlgG= -0.013567 logG= -0.016113 TDE= -0.132683 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003089 tlogG= 0.069208 logG= 0.066118 Density= 0.045844 ETOT(band)= 0.000622 trlgG= 0.065902 logG= 0.066118 TDE= -0.044242 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003100 tlogG= 0.069491 logG= 0.066391 Density= 0.046197 ETOT(band)= 0.000946 trlgG= 0.066525 logG= 0.066391 TDE= -0.044231 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003120 tlogG= 0.069890 logG= 0.066770 Density= 0.046269 ETOT(band)= 0.001047 trlgG= 0.067020 logG= 0.066770 TDE= -0.044184 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002318 tlogG= 0.051925 logG= 0.049607 Density= 0.034446 ETOT(band)= 0.000517 trlgG= 0.049502 logG= 0.049607 TDE= -0.033185 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009296 tlogG= 0.208492 logG= 0.199196 Density= 0.138566 ETOT(band)= 0.002871 trlgG= 0.199548 logG= 0.199196 TDE= -0.132717 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004640 tlogG= 0.104063 logG= 0.099423 Density= 0.069137 ETOT(band)= 0.001267 trlgG= 0.099457 logG= 0.099423 TDE= -0.066361 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009332 tlogG= 0.209193 logG= 0.199860 Density= 0.139072 ETOT(band)= 0.003401 trlgG= 0.200778 logG= 0.199860 TDE= -0.132637 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.54449982333800 eV TrLogG= -13.7927714187815 eV Ratio to renormalize= 0.999999999720 rho-rho_expected= 0.000000004486 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 35) Finished k-point number 36 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 82) Finished k-point number 83 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 60) Finished k-point number 61 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 76) Finished k-point number 77 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 103) Finished k-point number 104 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931324319812259 0.927982265559856 7) Finished k-point number 8 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 16) Finished k-point number 17 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 26) Finished k-point number 27 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 34) Finished k-point number 35 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 72) Finished k-point number 73 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 78) Finished k-point number 79 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0659469270146 Density= 16.0008874501618 16.0000000000000 EF 12.7938330949011 Density= 15.3698405432778 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96032947 0.94032947 0.887450E-03 -0.630159 1 0.96030135 0.94032947 0.128551E-03 -0.630159 2 0.96029658 0.96030135 -0.236900E-08 0.128551E-03 3 0.96029658 0.96029658 0.329873E-09 -0.236900E-08 4 0.96029658 0.96029658 -0.236900E-08 0.329873E-09 5 0.96029658 0.96029658 -0.236900E-08 0.329873E-09 Absolute convergence of the X interval. Difference in EF= -0.0004474866 EF set to : 13.0654994404 new EF (no-mixing): 13.0654994404 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001205 tlogG= -0.001247 logG= -0.002452 Density= 0.018971 ETOT(band)= 0.001230 trlgG= -0.001624 logG= -0.002452 TDE= -0.017391 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009614 tlogG= -0.009514 logG= -0.019128 Density= 0.151671 ETOT(band)= 0.010098 trlgG= -0.012257 logG= -0.019128 TDE= -0.138778 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002402 tlogG= -0.002399 logG= -0.004801 Density= 0.037894 ETOT(band)= 0.002556 trlgG= -0.003055 logG= -0.004801 TDE= -0.034643 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004803 tlogG= -0.004610 logG= -0.009413 Density= 0.075812 ETOT(band)= 0.005131 trlgG= -0.005897 logG= -0.009413 TDE= -0.069285 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002407 tlogG= -0.002076 logG= -0.004483 Density= 0.037454 ETOT(band)= 0.002600 trlgG= -0.002739 logG= -0.004483 TDE= -0.034223 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009662 tlogG= -0.006678 logG= -0.016340 Density= 0.143887 ETOT(band)= 0.005020 trlgG= -0.014495 logG= -0.016340 TDE= -0.136330 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009641 tlogG= -0.008050 logG= -0.017691 Density= 0.150582 ETOT(band)= 0.010527 trlgG= -0.010511 logG= -0.017691 TDE= -0.137423 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001572 tlogG= -0.001317 logG= -0.002888 Density= 0.022770 ETOT(band)= -0.000173 trlgG= -0.003505 logG= -0.002888 TDE= -0.022482 logGD-logG0= -0.009645 tlogG= -0.008656 logG= -0.018301 Density= 0.150776 ETOT(band)= 0.010602 trlgG= -0.011064 logG= -0.018301 TDE= -0.137553 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004823 tlogG= -0.004188 logG= -0.009011 Density= 0.075483 ETOT(band)= 0.005178 trlgG= -0.005514 logG= -0.009011 TDE= -0.068989 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009615 tlogG= -0.007792 logG= -0.017407 Density= 0.149978 ETOT(band)= 0.010973 trlgG= -0.009748 logG= -0.017407 TDE= -0.136364 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009656 tlogG= -0.008788 logG= -0.018444 Density= 0.151212 ETOT(band)= 0.010581 trlgG= -0.011184 logG= -0.018444 TDE= -0.137949 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019257 tlogG= -0.014759 logG= -0.034017 Density= 0.299369 ETOT(band)= 0.021103 trlgG= -0.019417 logG= -0.034017 TDE= -0.272884 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019280 tlogG= -0.015877 logG= -0.035158 Density= 0.301318 ETOT(band)= 0.020977 trlgG= -0.020878 logG= -0.035158 TDE= -0.275076 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009653 tlogG= -0.006631 logG= -0.016284 Density= 0.147367 ETOT(band)= 0.008550 trlgG= -0.010978 logG= -0.016284 TDE= -0.136209 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003137 tlogG= -0.002527 logG= -0.005664 Density= 0.045368 ETOT(band)= -0.000342 trlgG= -0.006934 logG= -0.005664 TDE= -0.044837 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003090 tlogG= -0.002603 logG= -0.005693 Density= 0.045868 ETOT(band)= 0.000569 trlgG= -0.005899 logG= -0.005693 TDE= -0.044253 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003119 tlogG= -0.002552 logG= -0.005671 Density= 0.045597 ETOT(band)= 0.000063 trlgG= -0.006463 logG= -0.005671 TDE= -0.044578 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009423 tlogG= -0.007455 logG= -0.016878 Density= 0.136717 ETOT(band)= -0.000703 trlgG= -0.020396 logG= -0.016878 TDE= -0.134807 logGD-logG0= -0.009415 tlogG= -0.007371 logG= -0.016786 Density= 0.136591 ETOT(band)= -0.000644 trlgG= -0.020260 logG= -0.016786 TDE= -0.134643 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009400 tlogG= -0.007298 logG= -0.016698 Density= 0.136636 ETOT(band)= -0.000253 trlgG= -0.019751 logG= -0.016698 TDE= -0.134264 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009434 tlogG= -0.006661 logG= -0.016095 Density= 0.137870 ETOT(band)= 0.000712 trlgG= -0.018312 logG= -0.016095 TDE= -0.134613 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009658 tlogG= -0.007555 logG= -0.017213 logGD-logG0= -0.009343 tlogG= -0.007363 logG= -0.016706 Density= 0.137296 ETOT(band)= 0.001041 trlgG= -0.018217 logG= -0.016706 TDE= -0.133356 Density= 0.149003 ETOT(band)= 0.010823 trlgG= -0.009683 logG= -0.017213 TDE= -0.135558 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009719 tlogG= -0.007142 logG= -0.016861 Density= 0.147642 ETOT(band)= 0.009187 trlgG= -0.010944 logG= -0.016861 TDE= -0.135863 logGD-logG0= -0.009528 tlogG= -0.006360 logG= -0.015888 Density= 0.140269 ETOT(band)= 0.003362 trlgG= -0.015325 logG= -0.015888 TDE= -0.134137 logGD-logG0= -0.009696 tlogG= -0.006513 logG= -0.016209 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.142484 ETOT(band)= 0.004310 trlgG= -0.014949 logG= -0.016209 TDE= -0.135566 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004761 tlogG= -0.003098 logG= -0.007859 Density= 0.067586 ETOT(band)= -0.001232 trlgG= -0.010506 logG= -0.007859 TDE= -0.067550 logGD-logG0= -0.009427 tlogG= -0.006843 logG= -0.016270 Density= 0.138430 ETOT(band)= 0.001643 trlgG= -0.017334 logG= -0.016270 TDE= -0.133998 logGD-logG0= -0.009487 tlogG= -0.005941 logG= -0.015427 logGD-logG0= -0.009379 tlogG= -0.007328 logG= -0.016707 Density= 0.136861 ETOT(band)= 0.000148 trlgG= -0.019272 logG= -0.016707 TDE= -0.133993 Density= 0.138065 ETOT(band)= 0.001019 trlgG= -0.017329 logG= -0.015427 TDE= -0.134485 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009405 tlogG= -0.006527 logG= -0.015932 Density= 0.137639 ETOT(band)= 0.000976 trlgG= -0.017829 logG= -0.015932 TDE= -0.134071 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009441 tlogG= -0.006629 logG= -0.016070 Density= 0.137815 ETOT(band)= 0.000736 trlgG= -0.018295 logG= -0.016070 TDE= -0.134569 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004773 tlogG= -0.002575 logG= -0.007348 Density= 0.065351 ETOT(band)= -0.002705 trlgG= -0.011322 logG= -0.007348 TDE= -0.066730 logGD-logG0= -0.009598 tlogG= -0.006577 logG= -0.016175 Density= 0.143471 ETOT(band)= 0.006752 trlgG= -0.012307 logG= -0.016175 TDE= -0.133907 logGD-logG0= -0.009512 tlogG= -0.005630 logG= -0.015142 Density= 0.133804 ETOT(band)= -0.003036 trlgG= -0.020962 logG= -0.015142 TDE= -0.134311 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009375 tlogG= -0.006819 logG= -0.016194 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.139000 ETOT(band)= 0.002935 trlgG= -0.015859 logG= -0.016194 TDE= -0.133146 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009531 tlogG= -0.006019 logG= -0.015550 logGD-logG0= -0.009425 tlogG= -0.006857 logG= -0.016282 Density= 0.135850 ETOT(band)= -0.001454 trlgG= -0.019845 logG= -0.015550 TDE= -0.134752 Density= 0.137477 ETOT(band)= 0.000252 trlgG= -0.018973 logG= -0.016282 TDE= -0.134710 logGD-logG0= -0.009468 tlogG= -0.005620 logG= -0.015088 Density= 0.136917 ETOT(band)= 0.000409 trlgG= -0.017602 logG= -0.015088 TDE= -0.133995 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009504 tlogG= -0.006140 logG= -0.015644 Density= 0.138630 ETOT(band)= 0.001552 trlgG= -0.016936 logG= -0.015644 TDE= -0.134417 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009740 tlogG= -0.006523 logG= -0.016263 logGD-logG0= -0.019444 tlogG= -0.012774 logG= -0.032218 Density= 0.285164 ETOT(band)= 0.008309 trlgG= -0.030123 logG= -0.032218 TDE= -0.271746 Density= 0.143130 ETOT(band)= 0.004417 trlgG= -0.015003 logG= -0.016263 TDE= -0.136187 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018950 tlogG= -0.011969 logG= -0.030919 Density= 0.277904 ETOT(band)= 0.004028 trlgG= -0.032828 logG= -0.030919 TDE= -0.268779 logGD-logG0= -0.018968 tlogG= -0.012117 logG= -0.031084 Density= 0.278219 ETOT(band)= 0.004042 trlgG= -0.033019 logG= -0.031084 TDE= -0.269107 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018839 tlogG= -0.013709 logG= -0.032549 Density= 0.275118 ETOT(band)= 0.001126 trlgG= -0.037176 logG= -0.032549 TDE= -0.268823 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019048 tlogG= -0.010852 logG= -0.029900 Density= 0.271592 ETOT(band)= -0.001887 trlgG= -0.037567 logG= -0.029900 TDE= -0.268476 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019070 tlogG= -0.011460 logG= -0.030530 Density= 0.275434 ETOT(band)= 0.001277 trlgG= -0.034996 logG= -0.030530 TDE= -0.268964 logGD-logG0= -0.000386 tlogG= 0.008635 logG= 0.008249 Density= 0.005716 ETOT(band)= 0.000062 trlgG= 0.008207 logG= 0.008249 TDE= -0.005530 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004853 tlogG= -0.003572 logG= -0.008426 Density= 0.074820 ETOT(band)= 0.005084 trlgG= -0.004978 logG= -0.008426 TDE= -0.068402 logGD-logG0= -0.019204 tlogG= -0.012067 logG= -0.031271 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 Density= 0.281465 ETOT(band)= 0.006915 trlgG= -0.030308 logG= -0.031271 TDE= -0.269326 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018948 tlogG= -0.012267 logG= -0.031215 Density= 0.278029 ETOT(band)= 0.004442 trlgG= -0.032547 logG= -0.031215 TDE= -0.268323 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018880 tlogG= -0.012355 logG= -0.031235 logGD-logG0= -0.019140 tlogG= -0.010178 logG= -0.029318 Density= 0.264058 ETOT(band)= -0.008323 trlgG= -0.043103 logG= -0.029318 TDE= -0.267359 Density= 0.278897 ETOT(band)= 0.006458 trlgG= -0.030366 logG= -0.031235 TDE= -0.266955 logGD-logG0= -0.019086 tlogG= -0.011687 logG= -0.030773 logGD-logG0= -0.018770 tlogG= -0.013755 logG= -0.032524 Density= 0.270165 ETOT(band)= -0.004478 trlgG= -0.040951 logG= -0.030773 TDE= -0.269616 Density= 0.275759 ETOT(band)= 0.002931 trlgG= -0.034956 logG= -0.032524 TDE= -0.267242 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009537 tlogG= -0.005457 logG= -0.014994 logGD-logG0= -0.019483 tlogG= -0.012763 logG= -0.032246 Density= 0.133094 ETOT(band)= -0.003701 trlgG= -0.021416 logG= -0.014994 TDE= -0.134232 Density= 0.289581 ETOT(band)= 0.014876 trlgG= -0.023447 logG= -0.032246 TDE= -0.269285 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019163 tlogG= -0.010466 logG= -0.029629 Density= 0.278386 ETOT(band)= 0.004933 trlgG= -0.030517 logG= -0.029629 TDE= -0.268221 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009619 tlogG= -0.004871 logG= -0.014490 Density= 0.130927 ETOT(band)= -0.005251 trlgG= -0.022452 logG= -0.014490 TDE= -0.133691 logGD-logG0= -0.018873 tlogG= -0.011644 logG= -0.030518 Density= 0.276557 ETOT(band)= 0.004001 trlgG= -0.032265 logG= -0.030518 TDE= -0.267324 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019097 tlogG= -0.010543 logG= -0.029641 Density= 0.274965 ETOT(band)= 0.002502 trlgG= -0.032884 logG= -0.029641 TDE= -0.267291 logGD-logG0= -0.019306 tlogG= -0.011915 logG= -0.031220 Density= 0.280277 ETOT(band)= 0.004466 trlgG= -0.032803 logG= -0.031220 TDE= -0.270732 logGD-logG0= -0.019181 tlogG= -0.010088 logG= -0.029269 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.267300 ETOT(band)= -0.005963 trlgG= -0.040751 logG= -0.029269 TDE= -0.268170 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019241 tlogG= -0.011149 logG= -0.030390 Density= 0.278331 ETOT(band)= 0.003906 trlgG= -0.032358 logG= -0.030390 TDE= -0.269248 logGD-logG0= -0.009606 tlogG= -0.005202 logG= -0.014808 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.140059 ETOT(band)= 0.003034 trlgG= -0.014739 logG= -0.014808 TDE= -0.134430 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009756 tlogG= -0.005981 logG= -0.015737 Density= 0.144042 ETOT(band)= 0.006471 trlgG= -0.012300 logG= -0.015737 TDE= -0.134886 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019136 tlogG= -0.010611 logG= -0.029747 Density= 0.272514 ETOT(band)= -0.001577 trlgG= -0.036943 logG= -0.029747 TDE= -0.268890 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009544 tlogG= -0.005138 logG= -0.014681 Density= 0.136481 ETOT(band)= -0.000383 trlgG= -0.017735 logG= -0.014681 TDE= -0.134115 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009564 tlogG= -0.005275 logG= -0.014839 Density= 0.136975 ETOT(band)= -0.000014 trlgG= -0.017616 logG= -0.014839 TDE= -0.134314 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009552 tlogG= -0.005492 logG= -0.015044 Density= 0.135901 ETOT(band)= -0.001247 trlgG= -0.018983 logG= -0.015044 TDE= -0.134444 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004781 tlogG= -0.002656 logG= -0.007437 Density= 0.068637 ETOT(band)= 0.000082 trlgG= -0.008783 logG= -0.007437 TDE= -0.067258 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002428 tlogG= -0.001869 logG= -0.004297 Density= 0.036960 ETOT(band)= 0.002610 trlgG= -0.002470 logG= -0.004297 TDE= -0.033666 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009397 tlogG= -0.007408 logG= -0.016805 Density= 0.137536 ETOT(band)= 0.001595 trlgG= -0.017722 logG= -0.016805 TDE= -0.132993 logGD-logG0= -0.009301 tlogG= -0.008818 logG= -0.018119 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.139406 ETOT(band)= 0.003662 trlgG= -0.016872 logG= -0.018119 TDE= -0.132624 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009332 tlogG= -0.007982 logG= -0.017315 Density= 0.138816 ETOT(band)= 0.003234 trlgG= -0.016489 logG= -0.017315 TDE= -0.132479 logGD-logG0= -0.009418 tlogG= -0.007331 logG= -0.016749 Density= 0.140982 ETOT(band)= 0.005229 trlgG= -0.014179 logG= -0.016749 TDE= -0.132815 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009351 tlogG= -0.007754 logG= -0.017105 Density= 0.138550 ETOT(band)= 0.002855 trlgG= -0.016609 logG= -0.017105 TDE= -0.132553 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009366 tlogG= -0.008437 logG= -0.017803 Density= 0.140850 ETOT(band)= 0.005030 trlgG= -0.015324 logG= -0.017803 TDE= -0.132779 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002327 tlogG= -0.002346 logG= -0.004673 Density= 0.034875 ETOT(band)= 0.000932 trlgG= -0.004374 logG= -0.004673 TDE= -0.033192 logGD-logG0= -0.002375 tlogG= -0.001971 logG= -0.004346 Density= 0.035796 ETOT(band)= 0.001759 trlgG= -0.003245 logG= -0.004346 TDE= -0.033274 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009651 tlogG= -0.007187 logG= -0.016838 Density= 0.144826 ETOT(band)= 0.008344 trlgG= -0.011283 logG= -0.016838 TDE= -0.133521 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004667 tlogG= -0.004022 logG= -0.008689 Density= 0.069932 ETOT(band)= 0.002136 trlgG= -0.007786 logG= -0.008689 TDE= -0.066252 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009454 tlogG= -0.006355 logG= -0.015809 Density= 0.137427 ETOT(band)= 0.001681 trlgG= -0.016929 logG= -0.015809 TDE= -0.133091 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009406 tlogG= -0.006886 logG= -0.016292 logGD-logG0= -0.009566 tlogG= -0.005326 logG= -0.014892 Density= 0.139345 ETOT(band)= 0.003914 trlgG= -0.014957 logG= -0.016292 TDE= -0.132477 Density= 0.133877 ETOT(band)= -0.001793 trlgG= -0.019453 logG= -0.014892 TDE= -0.133123 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018711 tlogG= -0.015770 logG= -0.034481 Density= 0.280375 ETOT(band)= 0.009053 trlgG= -0.030408 logG= -0.034481 TDE= -0.265169 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019052 tlogG= -0.013245 logG= -0.032297 Density= 0.284681 ETOT(band)= 0.012689 trlgG= -0.025287 logG= -0.032297 TDE= -0.266368 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004759 tlogG= -0.002826 logG= -0.007586 Density= 0.068467 ETOT(band)= 0.000848 trlgG= -0.008121 logG= -0.007586 TDE= -0.066284 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009300 tlogG= -0.009049 logG= -0.018349 Density= 0.139601 ETOT(band)= 0.003853 trlgG= -0.016978 logG= -0.018349 TDE= -0.132687 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009606 tlogG= -0.005008 logG= -0.014614 Density= 0.130711 ETOT(band)= -0.004754 trlgG= -0.022064 logG= -0.014614 TDE= -0.132972 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009765 tlogG= -0.006726 logG= -0.016490 Density= 0.145736 ETOT(band)= 0.008836 trlgG= -0.010757 logG= -0.016490 TDE= -0.134216 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009462 tlogG= -0.007534 logG= -0.016996 Density= 0.142457 ETOT(band)= 0.006516 trlgG= -0.013138 logG= -0.016996 TDE= -0.132943 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009630 tlogG= -0.005698 logG= -0.015329 Density= 0.141554 ETOT(band)= 0.005494 trlgG= -0.012844 logG= -0.015329 TDE= -0.133449 logGD-logG0= -0.018820 tlogG= -0.013984 logG= -0.032804 Density= 0.277529 ETOT(band)= 0.006204 trlgG= -0.031666 logG= -0.032804 TDE= -0.265371 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018985 tlogG= -0.011699 logG= -0.030684 Density= 0.277083 ETOT(band)= 0.006020 trlgG= -0.030310 logG= -0.030684 TDE= -0.265707 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009441 tlogG= -0.006672 logG= -0.016113 Density= 0.140815 ETOT(band)= 0.005311 trlgG= -0.013571 logG= -0.016113 TDE= -0.132682 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003100 tlogG= 0.069489 logG= 0.066389 Density= 0.046198 ETOT(band)= 0.000945 trlgG= 0.066522 logG= 0.066389 TDE= -0.044231 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003090 tlogG= 0.069205 logG= 0.066115 Density= 0.045845 ETOT(band)= 0.000621 trlgG= 0.065898 logG= 0.066115 TDE= -0.044242 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009296 tlogG= 0.208484 logG= 0.199188 Density= 0.138567 ETOT(band)= 0.002868 trlgG= 0.199538 logG= 0.199188 TDE= -0.132716 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004640 tlogG= 0.104060 logG= 0.099420 Density= 0.069137 ETOT(band)= 0.001265 trlgG= 0.099452 logG= 0.099420 TDE= -0.066360 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002318 tlogG= 0.051923 logG= 0.049605 Density= 0.034447 ETOT(band)= 0.000516 trlgG= 0.049499 logG= 0.049605 TDE= -0.033184 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009333 tlogG= 0.209185 logG= 0.199852 Density= 0.139073 ETOT(band)= 0.003398 trlgG= 0.200767 logG= 0.199852 TDE= -0.132636 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003119 tlogG= 0.069887 logG= 0.066768 Density= 0.046270 ETOT(band)= 0.001046 trlgG= 0.067017 logG= 0.066768 TDE= -0.044184 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.53784383643420 eV TrLogG= -13.7991951841963 eV Ratio to renormalize= 0.999999999868 rho-rho_expected= 0.000000002116 nargs= 1 argi=dmft2.def 15) Finished k-point number 16 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 49) Finished k-point number 50 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 57) Finished k-point number 58 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 55) Finished k-point number 56 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 93) Finished k-point number 94 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 89) Finished k-point number 90 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931365101210286 0.927937293183508 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 4) Finished k-point number 5 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 13) Finished k-point number 14 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 81) Finished k-point number 82 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 66) Finished k-point number 67 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 92) Finished k-point number 93 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0654994404304 Density= 16.0003372937818 16.0000000000000 EF 12.7933856083168 Density= 15.3692887402090 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96029658 0.94029658 0.337294E-03 -0.630711 1 0.96028589 0.94029658 0.489107E-04 -0.630711 2 0.96028408 0.96028589 -0.342538E-09 0.489107E-04 3 0.96028408 0.96028408 0.235543E-08 -0.342538E-09 4 0.96028408 0.96028408 0.235543E-08 -0.342538E-09 Absolute convergence of the X interval. Difference in EF= -0.0001701086 EF set to : 13.0653293318 new EF (no-mixing): 13.0653293318 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001205 tlogG= -0.001247 logG= -0.002452 Density= 0.018972 ETOT(band)= 0.001230 trlgG= -0.001624 logG= -0.002452 TDE= -0.017391 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009614 tlogG= -0.009514 logG= -0.019128 Density= 0.151674 ETOT(band)= 0.010099 trlgG= -0.012255 logG= -0.019128 TDE= -0.138777 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002402 tlogG= -0.002399 logG= -0.004801 Density= 0.037894 ETOT(band)= 0.002556 trlgG= -0.003055 logG= -0.004801 TDE= -0.034643 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004803 tlogG= -0.004610 logG= -0.009413 Density= 0.075813 ETOT(band)= 0.005131 trlgG= -0.005896 logG= -0.009413 TDE= -0.069285 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002406 tlogG= -0.002076 logG= -0.004483 Density= 0.037455 ETOT(band)= 0.002601 trlgG= -0.002738 logG= -0.004483 TDE= -0.034223 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004823 tlogG= -0.004187 logG= -0.009010 Density= 0.075484 ETOT(band)= 0.005178 trlgG= -0.005513 logG= -0.009010 TDE= -0.068989 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001572 tlogG= -0.001316 logG= -0.002888 Density= 0.022770 ETOT(band)= -0.000173 trlgG= -0.003504 logG= -0.002888 TDE= -0.022482 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009645 tlogG= -0.008655 logG= -0.018300 Density= 0.150779 ETOT(band)= 0.010603 trlgG= -0.011061 logG= -0.018300 TDE= -0.137552 logGD-logG0= -0.009662 tlogG= -0.006679 logG= -0.016341 Density= 0.143877 ETOT(band)= 0.005008 trlgG= -0.014506 logG= -0.016341 TDE= -0.136329 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009641 tlogG= -0.008049 logG= -0.017690 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.150584 ETOT(band)= 0.010528 trlgG= -0.010509 logG= -0.017690 TDE= -0.137423 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009656 tlogG= -0.008788 logG= -0.018443 Density= 0.151215 ETOT(band)= 0.010581 trlgG= -0.011182 logG= -0.018443 TDE= -0.137948 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019280 tlogG= -0.015877 logG= -0.035157 Density= 0.301323 ETOT(band)= 0.020980 trlgG= -0.020875 logG= -0.035157 TDE= -0.275074 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009615 tlogG= -0.007791 logG= -0.017406 Density= 0.149980 ETOT(band)= 0.010974 trlgG= -0.009746 logG= -0.017406 TDE= -0.136363 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019257 tlogG= -0.014759 logG= -0.034016 Density= 0.299380 ETOT(band)= 0.021110 trlgG= -0.019409 logG= -0.034016 TDE= -0.272882 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009653 tlogG= -0.006631 logG= -0.016284 Density= 0.147368 ETOT(band)= 0.008550 trlgG= -0.010977 logG= -0.016284 TDE= -0.136208 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003137 tlogG= -0.002528 logG= -0.005665 Density= 0.045368 ETOT(band)= -0.000342 trlgG= -0.006935 logG= -0.005665 TDE= -0.044836 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003091 tlogG= -0.002603 logG= -0.005694 Density= 0.045868 ETOT(band)= 0.000569 trlgG= -0.005901 logG= -0.005694 TDE= -0.044253 logGD-logG0= -0.009423 tlogG= -0.007457 logG= -0.016879 Density= 0.136719 ETOT(band)= -0.000703 trlgG= -0.020396 logG= -0.016879 TDE= -0.134806 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003119 tlogG= -0.002552 logG= -0.005671 Density= 0.045597 ETOT(band)= 0.000062 trlgG= -0.006462 logG= -0.005671 TDE= -0.044578 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009414 tlogG= -0.007367 logG= -0.016782 Density= 0.136591 ETOT(band)= -0.000646 trlgG= -0.020257 logG= -0.016782 TDE= -0.134642 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009400 tlogG= -0.007297 logG= -0.016697 Density= 0.136638 ETOT(band)= -0.000252 trlgG= -0.019750 logG= -0.016697 TDE= -0.134263 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009433 tlogG= -0.006660 logG= -0.016093 Density= 0.137870 ETOT(band)= 0.000710 trlgG= -0.018311 logG= -0.016093 TDE= -0.134613 logGD-logG0= -0.009343 tlogG= -0.007363 logG= -0.016707 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137297 ETOT(band)= 0.001041 trlgG= -0.018218 logG= -0.016707 TDE= -0.133356 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009719 tlogG= -0.007141 logG= -0.016859 Density= 0.147637 ETOT(band)= 0.009181 trlgG= -0.010947 logG= -0.016859 TDE= -0.135862 logGD-logG0= -0.009657 tlogG= -0.007554 logG= -0.017212 Density= 0.149007 ETOT(band)= 0.010825 trlgG= -0.009680 logG= -0.017212 TDE= -0.135557 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009405 tlogG= -0.006527 logG= -0.015932 Density= 0.137640 ETOT(band)= 0.000975 trlgG= -0.017829 logG= -0.015932 TDE= -0.134070 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009696 tlogG= -0.006513 logG= -0.016210 Density= 0.142483 ETOT(band)= 0.004308 trlgG= -0.014951 logG= -0.016210 TDE= -0.135566 logGD-logG0= -0.004761 tlogG= -0.003099 logG= -0.007860 Density= 0.067589 ETOT(band)= -0.001230 trlgG= -0.010506 logG= -0.007860 TDE= -0.067550 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009378 tlogG= -0.007328 logG= -0.016707 Density= 0.136862 ETOT(band)= 0.000148 trlgG= -0.019272 logG= -0.016707 TDE= -0.133992 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009487 tlogG= -0.005940 logG= -0.015427 logGD-logG0= -0.009441 tlogG= -0.006626 logG= -0.016067 Density= 0.138065 ETOT(band)= 0.001018 trlgG= -0.017330 logG= -0.015427 TDE= -0.134484 logGD-logG0= -0.009528 tlogG= -0.006360 logG= -0.015888 logGD-logG0= -0.009375 tlogG= -0.006820 logG= -0.016195 Density= 0.139000 ETOT(band)= 0.002934 trlgG= -0.015861 logG= -0.016195 TDE= -0.133146 Density= 0.140270 ETOT(band)= 0.003362 trlgG= -0.015325 logG= -0.015888 TDE= -0.134136 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137817 ETOT(band)= 0.000737 trlgG= -0.018292 logG= -0.016067 TDE= -0.134568 logGD-logG0= -0.009427 tlogG= -0.006842 logG= -0.016270 Density= 0.138431 ETOT(band)= 0.001644 trlgG= -0.017334 logG= -0.016270 TDE= -0.133997 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009511 tlogG= -0.005630 logG= -0.015141 Density= 0.133802 ETOT(band)= -0.003040 trlgG= -0.020964 logG= -0.015141 TDE= -0.134311 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009598 tlogG= -0.006577 logG= -0.016175 Density= 0.143471 ETOT(band)= 0.006750 trlgG= -0.012309 logG= -0.016175 TDE= -0.133907 logGD-logG0= -0.004774 tlogG= -0.002574 logG= -0.007347 Density= 0.065341 ETOT(band)= -0.002716 trlgG= -0.011332 logG= -0.007347 TDE= -0.066730 logGD-logG0= -0.009425 tlogG= -0.006856 logG= -0.016281 logGD-logG0= -0.009531 tlogG= -0.006020 logG= -0.015551 Density= 0.135852 ETOT(band)= -0.001454 trlgG= -0.019846 logG= -0.015551 TDE= -0.134752 Density= 0.137477 ETOT(band)= 0.000251 trlgG= -0.018973 logG= -0.016281 TDE= -0.134709 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009504 tlogG= -0.006140 logG= -0.015644 Density= 0.138630 ETOT(band)= 0.001550 trlgG= -0.016936 logG= -0.015644 TDE= -0.134416 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009468 tlogG= -0.005620 logG= -0.015088 Density= 0.136916 ETOT(band)= 0.000406 trlgG= -0.017604 logG= -0.015088 TDE= -0.133995 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019444 tlogG= -0.012771 logG= -0.032216 Density= 0.285163 ETOT(band)= 0.008305 trlgG= -0.030123 logG= -0.032216 TDE= -0.271745 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009740 tlogG= -0.006523 logG= -0.016263 Density= 0.143127 ETOT(band)= 0.004413 trlgG= -0.015007 logG= -0.016263 TDE= -0.136186 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018840 tlogG= -0.013714 logG= -0.032554 Density= 0.275119 ETOT(band)= 0.001124 trlgG= -0.037183 logG= -0.032554 TDE= -0.268822 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018947 tlogG= -0.011963 logG= -0.030911 Density= 0.277901 ETOT(band)= 0.004020 trlgG= -0.032825 logG= -0.030911 TDE= -0.268778 logGD-logG0= -0.019070 tlogG= -0.011459 logG= -0.030529 logGD-logG0= -0.018949 tlogG= -0.012274 logG= -0.031223 Density= 0.278036 ETOT(band)= 0.004446 trlgG= -0.032550 logG= -0.031223 TDE= -0.268321 Density= 0.275431 ETOT(band)= 0.001272 trlgG= -0.035000 logG= -0.030529 TDE= -0.268963 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018967 tlogG= -0.012114 logG= -0.031081 Density= 0.278221 ETOT(band)= 0.004041 trlgG= -0.033017 logG= -0.031081 TDE= -0.269106 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019203 tlogG= -0.012066 logG= -0.031269 Density= 0.281466 ETOT(band)= 0.006914 trlgG= -0.030307 logG= -0.031269 TDE= -0.269325 logGD-logG0= -0.019139 tlogG= -0.010177 logG= -0.029316 Density= 0.264043 ETOT(band)= -0.008342 trlgG= -0.043118 logG= -0.029316 TDE= -0.267358 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019163 tlogG= -0.010461 logG= -0.029624 Density= 0.278377 ETOT(band)= 0.004921 trlgG= -0.030523 logG= -0.029624 TDE= -0.268220 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019049 tlogG= -0.010855 logG= -0.029904 Density= 0.271596 ETOT(band)= -0.001885 trlgG= -0.037569 logG= -0.029904 TDE= -0.268474 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004853 tlogG= -0.003572 logG= -0.008425 Density= 0.074821 ETOT(band)= 0.005084 trlgG= -0.004978 logG= -0.008425 TDE= -0.068402 logGD-logG0= -0.018770 tlogG= -0.013757 logG= -0.032527 logGD-logG0= -0.018879 tlogG= -0.012359 logG= -0.031238 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278895 ETOT(band)= 0.006452 trlgG= -0.030373 logG= -0.031238 TDE= -0.266954 Density= 0.275761 ETOT(band)= 0.002930 trlgG= -0.034959 logG= -0.032527 TDE= -0.267241 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000386 tlogG= 0.008635 logG= 0.008249 Density= 0.005716 ETOT(band)= 0.000062 trlgG= 0.008207 logG= 0.008249 TDE= -0.005530 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019483 tlogG= -0.012765 logG= -0.032248 Density= 0.289577 ETOT(band)= 0.014869 trlgG= -0.023456 logG= -0.032248 TDE= -0.269284 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009542 tlogG= -0.005468 logG= -0.015009 Density= 0.133113 ETOT(band)= -0.003680 trlgG= -0.021415 logG= -0.015009 TDE= -0.134231 logGD-logG0= -0.018872 tlogG= -0.011642 logG= -0.030515 Density= 0.276556 ETOT(band)= 0.003997 trlgG= -0.032265 logG= -0.030515 TDE= -0.267322 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019085 tlogG= -0.011686 logG= -0.030772 logGD-logG0= -0.009607 tlogG= -0.005204 logG= -0.014810 logGD-logG0= -0.019305 tlogG= -0.011913 logG= -0.031217 Density= 0.280267 ETOT(band)= 0.004453 trlgG= -0.032812 logG= -0.031217 TDE= -0.270731 Density= 0.140059 ETOT(band)= 0.003034 trlgG= -0.014743 logG= -0.014810 TDE= -0.134429 logGD-logG0= -0.009619 tlogG= -0.004871 logG= -0.014490 Density= 0.270169 ETOT(band)= -0.004477 trlgG= -0.040947 logG= -0.030772 TDE= -0.269615 Density= 0.130923 ETOT(band)= -0.005256 trlgG= -0.022456 logG= -0.014490 TDE= -0.133690 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019240 tlogG= -0.011147 logG= -0.030388 Density= 0.278321 ETOT(band)= 0.003894 trlgG= -0.032367 logG= -0.030388 TDE= -0.269247 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019134 tlogG= -0.010609 logG= -0.029743 Density= 0.272513 ETOT(band)= -0.001582 trlgG= -0.036942 logG= -0.029743 TDE= -0.268889 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019097 tlogG= -0.010542 logG= -0.029639 logGD-logG0= -0.019181 tlogG= -0.010092 logG= -0.029273 Density= 0.274939 ETOT(band)= 0.002473 trlgG= -0.032909 logG= -0.029639 TDE= -0.267290 Density= 0.267312 ETOT(band)= -0.005954 trlgG= -0.040746 logG= -0.029273 TDE= -0.268169 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009756 tlogG= -0.005980 logG= -0.015737 Density= 0.144041 ETOT(band)= 0.006469 trlgG= -0.012301 logG= -0.015737 TDE= -0.134885 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009542 tlogG= -0.005135 logG= -0.014677 Density= 0.136481 ETOT(band)= -0.000385 trlgG= -0.017731 logG= -0.014677 TDE= -0.134115 logGD-logG0= -0.009564 tlogG= -0.005275 logG= -0.014838 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136975 ETOT(band)= -0.000016 trlgG= -0.017617 logG= -0.014838 TDE= -0.134313 logGD-logG0= -0.009552 tlogG= -0.005493 logG= -0.015045 Density= 0.135904 ETOT(band)= -0.001245 trlgG= -0.018983 logG= -0.015045 TDE= -0.134444 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004781 tlogG= -0.002656 logG= -0.007437 Density= 0.068637 ETOT(band)= 0.000082 trlgG= -0.008783 logG= -0.007437 TDE= -0.067257 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002428 tlogG= -0.001869 logG= -0.004297 Density= 0.036960 ETOT(band)= 0.002611 trlgG= -0.002470 logG= -0.004297 TDE= -0.033666 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009301 tlogG= -0.008819 logG= -0.018120 Density= 0.139407 ETOT(band)= 0.003661 trlgG= -0.016873 logG= -0.018120 TDE= -0.132624 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002375 tlogG= -0.001971 logG= -0.004346 Density= 0.035796 ETOT(band)= 0.001759 trlgG= -0.003246 logG= -0.004346 TDE= -0.033274 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009350 tlogG= -0.007754 logG= -0.017104 Density= 0.138551 ETOT(band)= 0.002854 trlgG= -0.016609 logG= -0.017104 TDE= -0.132553 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009651 tlogG= -0.007186 logG= -0.016837 Density= 0.144826 ETOT(band)= 0.008342 trlgG= -0.011283 logG= -0.016837 TDE= -0.133520 logGD-logG0= -0.009366 tlogG= -0.008436 logG= -0.017802 Density= 0.140850 ETOT(band)= 0.005029 trlgG= -0.015324 logG= -0.017802 TDE= -0.132779 logGD-logG0= -0.009397 tlogG= -0.007409 logG= -0.016806 Density= 0.137538 ETOT(band)= 0.001595 trlgG= -0.017722 logG= -0.016806 TDE= -0.132992 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002327 tlogG= -0.002346 logG= -0.004673 Density= 0.034875 ETOT(band)= 0.000932 trlgG= -0.004374 logG= -0.004673 TDE= -0.033191 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004667 tlogG= -0.004023 logG= -0.008690 Density= 0.069932 ETOT(band)= 0.002135 trlgG= -0.007788 logG= -0.008690 TDE= -0.066252 logGD-logG0= -0.009418 tlogG= -0.007332 logG= -0.016749 Density= 0.140982 ETOT(band)= 0.005227 trlgG= -0.014181 logG= -0.016749 TDE= -0.132815 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009332 tlogG= -0.007981 logG= -0.017313 Density= 0.138817 ETOT(band)= 0.003233 trlgG= -0.016488 logG= -0.017313 TDE= -0.132479 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009454 tlogG= -0.006355 logG= -0.015809 Density= 0.137428 ETOT(band)= 0.001680 trlgG= -0.016929 logG= -0.015809 TDE= -0.133090 logGD-logG0= -0.009406 tlogG= -0.006886 logG= -0.016292 logGD-logG0= -0.009566 tlogG= -0.005326 logG= -0.014892 Density= 0.139346 ETOT(band)= 0.003914 trlgG= -0.014956 logG= -0.016292 TDE= -0.132476 Density= 0.133869 ETOT(band)= -0.001803 trlgG= -0.019461 logG= -0.014892 TDE= -0.133122 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018711 tlogG= -0.015770 logG= -0.034481 Density= 0.280376 ETOT(band)= 0.009051 trlgG= -0.030410 logG= -0.034481 TDE= -0.265168 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004759 tlogG= -0.002825 logG= -0.007584 Density= 0.068466 ETOT(band)= 0.000847 trlgG= -0.008120 logG= -0.007584 TDE= -0.066284 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009300 tlogG= -0.009049 logG= -0.018349 logGD-logG0= -0.009765 tlogG= -0.006725 logG= -0.016490 Density= 0.139602 ETOT(band)= 0.003852 trlgG= -0.016978 logG= -0.018349 TDE= -0.132687 Density= 0.145737 ETOT(band)= 0.008835 trlgG= -0.010756 logG= -0.016490 TDE= -0.134216 logGD-logG0= -0.019053 tlogG= -0.013245 logG= -0.032298 Density= 0.284681 ETOT(band)= 0.012686 trlgG= -0.025291 logG= -0.032298 TDE= -0.266367 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009630 tlogG= -0.005698 logG= -0.015328 Density= 0.141552 ETOT(band)= 0.005491 trlgG= -0.012846 logG= -0.015328 TDE= -0.133448 logGD-logG0= -0.009607 tlogG= -0.005009 logG= -0.014616 Density= 0.130707 ETOT(band)= -0.004758 trlgG= -0.022070 logG= -0.014616 TDE= -0.132971 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009462 tlogG= -0.007534 logG= -0.016996 Density= 0.142457 ETOT(band)= 0.006514 trlgG= -0.013139 logG= -0.016996 TDE= -0.132943 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018820 tlogG= -0.013982 logG= -0.032802 Density= 0.277531 ETOT(band)= 0.006203 trlgG= -0.031663 logG= -0.032802 TDE= -0.265370 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018989 tlogG= -0.011707 logG= -0.030696 Density= 0.277093 ETOT(band)= 0.006031 trlgG= -0.030314 logG= -0.030696 TDE= -0.265706 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009441 tlogG= -0.006671 logG= -0.016112 Density= 0.140815 ETOT(band)= 0.005310 trlgG= -0.013571 logG= -0.016112 TDE= -0.132681 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003100 tlogG= 0.069488 logG= 0.066388 Density= 0.046198 ETOT(band)= 0.000945 trlgG= 0.066520 logG= 0.066388 TDE= -0.044231 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003120 tlogG= 0.069886 logG= 0.066767 Density= 0.046270 ETOT(band)= 0.001046 trlgG= 0.067016 logG= 0.066767 TDE= -0.044183 logGD-logG0= -0.003090 tlogG= 0.069204 logG= 0.066114 Density= 0.045845 ETOT(band)= 0.000621 trlgG= 0.065897 logG= 0.066114 TDE= -0.044241 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004640 tlogG= 0.104058 logG= 0.099418 Density= 0.069138 ETOT(band)= 0.001265 trlgG= 0.099450 logG= 0.099418 TDE= -0.066360 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009332 tlogG= 0.209183 logG= 0.199850 Density= 0.139074 ETOT(band)= 0.003397 trlgG= 0.200765 logG= 0.199850 TDE= -0.132636 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002318 tlogG= 0.051922 logG= 0.049604 Density= 0.034447 ETOT(band)= 0.000516 trlgG= 0.049499 logG= 0.049604 TDE= -0.033184 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009296 tlogG= 0.208482 logG= 0.199186 Density= 0.138568 ETOT(band)= 0.002867 trlgG= 0.199535 logG= 0.199186 TDE= -0.132715 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.53564772445507 eV TrLogG= -13.8009988273963 eV Ratio to renormalize= 0.999999999572 rho-rho_expected= 0.000000006840 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 61) Finished k-point number 62 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 58) Finished k-point number 59 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 16) Finished k-point number 17 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 76) Finished k-point number 77 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 78) Finished k-point number 79 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 92) Finished k-point number 93 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 75) Finished k-point number 76 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 84) Finished k-point number 85 1 with #bands= 20 88) Finished k-point number 89 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931408311953583 0.928034072732022 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 17) Finished k-point number 18 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 18) Finished k-point number 19 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 35) Finished k-point number 36 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0653293317927 Density= 16.0093177401641 16.0000000000000 EF 12.7932154996791 Density= 15.3825574426037 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96028408 0.94028408 0.931774E-02 -0.617443 1 0.95998675 0.94028408 0.132864E-02 -0.617443 2 0.95993741 0.95998675 -0.222478E-06 0.132864E-02 3 0.95993742 0.95993741 0.740741E-10 -0.222478E-06 Absolute convergence of |F(X)|. Difference in EF= -0.0047166020 EF set to : 13.0606127298 new EF (no-mixing): 13.0606127298 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001205 tlogG= -0.001247 logG= -0.002451 Density= 0.018975 ETOT(band)= 0.001228 trlgG= -0.001625 logG= -0.002451 TDE= -0.017389 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009613 tlogG= -0.009512 logG= -0.019125 Density= 0.151703 ETOT(band)= 0.010083 trlgG= -0.012262 logG= -0.019125 TDE= -0.138762 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002402 tlogG= -0.002399 logG= -0.004800 Density= 0.037902 ETOT(band)= 0.002552 trlgG= -0.003056 logG= -0.004800 TDE= -0.034640 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004802 tlogG= -0.004609 logG= -0.009411 Density= 0.075828 ETOT(band)= 0.005123 trlgG= -0.005899 logG= -0.009411 TDE= -0.069278 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002406 tlogG= -0.002076 logG= -0.004482 Density= 0.037465 ETOT(band)= 0.002600 trlgG= -0.002737 logG= -0.004482 TDE= -0.034219 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009661 tlogG= -0.006678 logG= -0.016339 Density= 0.143839 ETOT(band)= 0.004929 trlgG= -0.014579 logG= -0.016339 TDE= -0.136316 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001571 tlogG= -0.001317 logG= -0.002888 Density= 0.022773 ETOT(band)= -0.000178 trlgG= -0.003509 logG= -0.002888 TDE= -0.022481 logGD-logG0= -0.009640 tlogG= -0.008048 logG= -0.017687 Density= 0.150620 ETOT(band)= 0.010518 trlgG= -0.010511 logG= -0.017687 TDE= -0.137409 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009644 tlogG= -0.008653 logG= -0.018297 Density= 0.150814 ETOT(band)= 0.010592 trlgG= -0.011063 logG= -0.018297 TDE= -0.137538 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004822 tlogG= -0.004187 logG= -0.009010 Density= 0.075502 ETOT(band)= 0.005173 trlgG= -0.005514 logG= -0.009010 TDE= -0.068982 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019278 tlogG= -0.015874 logG= -0.035152 Density= 0.301392 ETOT(band)= 0.020957 trlgG= -0.020881 logG= -0.035152 TDE= -0.275046 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009614 tlogG= -0.007790 logG= -0.017404 Density= 0.150017 ETOT(band)= 0.010965 trlgG= -0.009747 logG= -0.017404 TDE= -0.136351 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009654 tlogG= -0.008786 logG= -0.018440 Density= 0.151247 ETOT(band)= 0.010568 trlgG= -0.011187 logG= -0.018440 TDE= -0.137934 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019255 tlogG= -0.014756 logG= -0.034011 Density= 0.299439 ETOT(band)= 0.021079 trlgG= -0.019425 logG= -0.034011 TDE= -0.272856 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009652 tlogG= -0.006629 logG= -0.016282 Density= 0.147387 ETOT(band)= 0.008525 trlgG= -0.010995 logG= -0.016282 TDE= -0.136196 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003137 tlogG= -0.002528 logG= -0.005664 Density= 0.045374 ETOT(band)= -0.000351 trlgG= -0.006942 logG= -0.005664 TDE= -0.044834 logGD-logG0= -0.003119 tlogG= -0.002554 logG= -0.005673 Density= 0.045603 ETOT(band)= 0.000053 trlgG= -0.006473 logG= -0.005673 TDE= -0.044576 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003091 tlogG= -0.002604 logG= -0.005694 Density= 0.045873 ETOT(band)= 0.000557 trlgG= -0.005911 logG= -0.005694 TDE= -0.044251 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009423 tlogG= -0.007454 logG= -0.016877 Density= 0.136735 ETOT(band)= -0.000732 trlgG= -0.020419 logG= -0.016877 TDE= -0.134799 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009400 tlogG= -0.007300 logG= -0.016700 Density= 0.136654 ETOT(band)= -0.000282 trlgG= -0.019776 logG= -0.016700 TDE= -0.134256 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009414 tlogG= -0.007372 logG= -0.016786 Density= 0.136609 ETOT(band)= -0.000674 trlgG= -0.020285 logG= -0.016786 TDE= -0.134635 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009344 tlogG= -0.007366 logG= -0.016709 Density= 0.137311 ETOT(band)= 0.001009 trlgG= -0.018248 logG= -0.016709 TDE= -0.133349 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009432 tlogG= -0.006662 logG= -0.016094 Density= 0.137879 ETOT(band)= 0.000673 trlgG= -0.018343 logG= -0.016094 TDE= -0.134604 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009656 tlogG= -0.007552 logG= -0.017209 Density= 0.149040 ETOT(band)= 0.010812 trlgG= -0.009684 logG= -0.017209 TDE= -0.135545 logGD-logG0= -0.009440 tlogG= -0.006627 logG= -0.016067 Density= 0.137826 ETOT(band)= 0.000700 trlgG= -0.018322 logG= -0.016067 TDE= -0.134559 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009717 tlogG= -0.007139 logG= -0.016857 Density= 0.147662 ETOT(band)= 0.009161 trlgG= -0.010959 logG= -0.016857 TDE= -0.135849 logGD-logG0= -0.009378 tlogG= -0.007330 logG= -0.016709 Density= 0.136878 ETOT(band)= 0.000118 trlgG= -0.019299 logG= -0.016709 TDE= -0.133985 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009486 tlogG= -0.005943 logG= -0.015430 Density= 0.138065 ETOT(band)= 0.000974 trlgG= -0.017371 logG= -0.015430 TDE= -0.134475 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009404 tlogG= -0.006530 logG= -0.015934 Density= 0.137651 ETOT(band)= 0.000942 trlgG= -0.017859 logG= -0.015934 TDE= -0.134062 logGD-logG0= -0.009427 tlogG= -0.006843 logG= -0.016270 Density= 0.138438 ETOT(band)= 0.001605 trlgG= -0.017368 logG= -0.016270 TDE= -0.133989 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009694 tlogG= -0.006515 logG= -0.016210 Density= 0.142451 ETOT(band)= 0.004234 trlgG= -0.015020 logG= -0.016210 TDE= -0.135554 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004774 tlogG= -0.002580 logG= -0.007353 logGD-logG0= -0.009528 tlogG= -0.006362 logG= -0.015890 Density= 0.140260 ETOT(band)= 0.003310 trlgG= -0.015375 logG= -0.015890 TDE= -0.134126 Density= 0.065364 ETOT(band)= -0.002714 trlgG= -0.011335 logG= -0.007353 TDE= -0.066727 logGD-logG0= -0.009425 tlogG= -0.006857 logG= -0.016281 Density= 0.137489 ETOT(band)= 0.000217 trlgG= -0.019001 logG= -0.016281 TDE= -0.134700 logGD-logG0= -0.004760 tlogG= -0.003099 logG= -0.007860 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.067594 ETOT(band)= -0.001247 trlgG= -0.010519 logG= -0.007860 TDE= -0.067546 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009375 tlogG= -0.006821 logG= -0.016196 Density= 0.139004 ETOT(band)= 0.002892 trlgG= -0.015898 logG= -0.016196 TDE= -0.133137 logGD-logG0= -0.009597 tlogG= -0.006577 logG= -0.016174 Density= 0.143459 ETOT(band)= 0.006694 trlgG= -0.012359 logG= -0.016174 TDE= -0.133896 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009467 tlogG= -0.005622 logG= -0.015088 Density= 0.136921 ETOT(band)= 0.000366 trlgG= -0.017639 logG= -0.015088 TDE= -0.133986 logGD-logG0= -0.009510 tlogG= -0.005634 logG= -0.015144 Density= 0.133824 ETOT(band)= -0.003063 trlgG= -0.020986 logG= -0.015144 TDE= -0.134304 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009530 tlogG= -0.006022 logG= -0.015552 Density= 0.135860 ETOT(band)= -0.001490 trlgG= -0.019879 logG= -0.015552 TDE= -0.134744 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009503 tlogG= -0.006141 logG= -0.015644 Density= 0.138627 ETOT(band)= 0.001503 trlgG= -0.016978 logG= -0.015644 TDE= -0.134407 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019440 tlogG= -0.012775 logG= -0.032214 Density= 0.285093 ETOT(band)= 0.008152 trlgG= -0.030264 logG= -0.032214 TDE= -0.271721 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009738 tlogG= -0.006522 logG= -0.016260 Density= 0.143085 ETOT(band)= 0.004329 trlgG= -0.015081 logG= -0.016260 TDE= -0.136174 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019068 tlogG= -0.011467 logG= -0.030535 logGD-logG0= -0.018947 tlogG= -0.011968 logG= -0.030914 Density= 0.277905 ETOT(band)= 0.003936 trlgG= -0.032902 logG= -0.030914 TDE= -0.268760 Density= 0.275412 ETOT(band)= 0.001166 trlgG= -0.035100 logG= -0.030535 TDE= -0.268944 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019482 tlogG= -0.012761 logG= -0.032243 Density= 0.289577 ETOT(band)= 0.014782 trlgG= -0.023529 logG= -0.032243 TDE= -0.269262 logGD-logG0= -0.019047 tlogG= -0.010853 logG= -0.029900 Density= 0.271568 ETOT(band)= -0.002002 trlgG= -0.037669 logG= -0.029900 TDE= -0.268457 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019201 tlogG= -0.012071 logG= -0.031272 Density= 0.281430 ETOT(band)= 0.006793 trlgG= -0.030421 logG= -0.031272 TDE= -0.269304 logGD-logG0= -0.004852 tlogG= -0.003571 logG= -0.008424 Density= 0.074834 ETOT(band)= 0.005074 trlgG= -0.004983 logG= -0.008424 TDE= -0.068395 logGD-logG0= -0.018838 tlogG= -0.013712 logG= -0.032550 Density= 0.275145 ETOT(band)= 0.001058 trlgG= -0.037234 logG= -0.032550 TDE= -0.268805 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018947 tlogG= -0.012269 logG= -0.031216 Density= 0.278028 ETOT(band)= 0.004350 trlgG= -0.032630 logG= -0.031216 TDE= -0.268303 logGD-logG0= -0.018769 tlogG= -0.013763 logG= -0.032533 Density= 0.275783 ETOT(band)= 0.002858 trlgG= -0.035024 logG= -0.032533 TDE= -0.267226 logGD-logG0= -0.018966 tlogG= -0.012121 logG= -0.031087 Density= 0.278220 ETOT(band)= 0.003952 trlgG= -0.033100 logG= -0.031087 TDE= -0.269087 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000386 tlogG= 0.008631 logG= 0.008246 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.005716 ETOT(band)= 0.000061 trlgG= 0.008203 logG= 0.008246 TDE= -0.005530 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009539 tlogG= -0.005467 logG= -0.015006 logGD-logG0= -0.019140 tlogG= -0.010184 logG= -0.029324 Density= 0.133126 ETOT(band)= -0.003715 trlgG= -0.021438 logG= -0.015006 TDE= -0.134224 Density= 0.264002 ETOT(band)= -0.008466 trlgG= -0.043241 logG= -0.029324 TDE= -0.267342 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.018879 tlogG= -0.012358 logG= -0.031237 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278891 ETOT(band)= 0.006361 trlgG= -0.030454 logG= -0.031237 TDE= -0.266934 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019084 tlogG= -0.011689 logG= -0.030773 Density= 0.270192 ETOT(band)= -0.004544 trlgG= -0.041005 logG= -0.030773 TDE= -0.269600 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019161 tlogG= -0.010466 logG= -0.029628 Density= 0.278314 ETOT(band)= 0.004774 trlgG= -0.030664 logG= -0.029628 TDE= -0.268201 logGD-logG0= -0.018874 tlogG= -0.011650 logG= -0.030524 Density= 0.276563 ETOT(band)= 0.003916 trlgG= -0.032347 logG= -0.030524 TDE= -0.267305 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009617 tlogG= -0.004875 logG= -0.014492 Density= 0.130875 ETOT(band)= -0.005344 trlgG= -0.022541 logG= -0.014492 TDE= -0.133681 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009608 tlogG= -0.005205 logG= -0.014812 Density= 0.140036 ETOT(band)= 0.002969 trlgG= -0.014805 logG= -0.014812 TDE= -0.134419 logGD-logG0= -0.019134 tlogG= -0.010614 logG= -0.029749 Density= 0.272476 ETOT(band)= -0.001704 trlgG= -0.037059 logG= -0.029749 TDE= -0.268871 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019180 tlogG= -0.010092 logG= -0.029272 logGD-logG0= -0.019097 tlogG= -0.010547 logG= -0.029644 Density= 0.274890 ETOT(band)= 0.002343 trlgG= -0.033036 logG= -0.029644 TDE= -0.267269 Density= 0.267219 ETOT(band)= -0.006133 trlgG= -0.040911 logG= -0.029272 TDE= -0.268152 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019239 tlogG= -0.011151 logG= -0.030390 Density= 0.278268 ETOT(band)= 0.003759 trlgG= -0.032497 logG= -0.030390 TDE= -0.269227 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019302 tlogG= -0.011917 logG= -0.031218 Density= 0.280220 ETOT(band)= 0.004323 trlgG= -0.032933 logG= -0.031218 TDE= -0.270709 logGD-logG0= -0.009756 tlogG= -0.005979 logG= -0.015735 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.144029 ETOT(band)= 0.006414 trlgG= -0.012351 logG= -0.015735 TDE= -0.134874 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009544 tlogG= -0.005140 logG= -0.014684 Density= 0.136480 ETOT(band)= -0.000430 trlgG= -0.017779 logG= -0.014684 TDE= -0.134107 logGD-logG0= -0.009563 tlogG= -0.005277 logG= -0.014840 Density= 0.136968 ETOT(band)= -0.000066 trlgG= -0.017664 logG= -0.014840 TDE= -0.134305 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009552 tlogG= -0.005497 logG= -0.015049 logGD-logG0= -0.004781 tlogG= -0.002657 logG= -0.007438 Density= 0.135908 ETOT(band)= -0.001285 trlgG= -0.019022 logG= -0.015049 TDE= -0.134437 Density= 0.068638 ETOT(band)= 0.000061 trlgG= -0.008802 logG= -0.007438 TDE= -0.067253 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002428 tlogG= -0.001868 logG= -0.004296 Density= 0.036965 ETOT(band)= 0.002604 trlgG= -0.002475 logG= -0.004296 TDE= -0.033663 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002327 tlogG= -0.002346 logG= -0.004673 Density= 0.034876 ETOT(band)= 0.000922 trlgG= -0.004383 logG= -0.004673 TDE= -0.033190 logGD-logG0= -0.009301 tlogG= -0.008820 logG= -0.018121 Density= 0.139414 ETOT(band)= 0.003622 trlgG= -0.016908 logG= -0.018121 TDE= -0.132616 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009417 tlogG= -0.007332 logG= -0.016749 Density= 0.140979 ETOT(band)= 0.005179 trlgG= -0.014224 logG= -0.016749 TDE= -0.132806 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002375 tlogG= -0.001971 logG= -0.004346 Density= 0.035795 ETOT(band)= 0.001746 trlgG= -0.003257 logG= -0.004346 TDE= -0.033272 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009351 tlogG= -0.007756 logG= -0.017107 Density= 0.138560 ETOT(band)= 0.002817 trlgG= -0.016644 logG= -0.017107 TDE= -0.132546 logGD-logG0= -0.009396 tlogG= -0.007410 logG= -0.016806 Density= 0.137552 ETOT(band)= 0.001562 trlgG= -0.017750 logG= -0.016806 TDE= -0.132986 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009333 tlogG= -0.007984 logG= -0.017317 Density= 0.138825 ETOT(band)= 0.003195 trlgG= -0.016525 logG= -0.017317 TDE= -0.132472 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004668 tlogG= -0.004024 logG= -0.008692 Density= 0.069934 ETOT(band)= 0.002115 trlgG= -0.007808 logG= -0.008692 TDE= -0.066248 logGD-logG0= -0.009366 tlogG= -0.008437 logG= -0.017803 Density= 0.140850 ETOT(band)= 0.004984 trlgG= -0.015366 logG= -0.017803 TDE= -0.132770 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009650 tlogG= -0.007185 logG= -0.016835 Density= 0.144822 ETOT(band)= 0.008294 trlgG= -0.011325 logG= -0.016835 TDE= -0.133510 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009566 tlogG= -0.005327 logG= -0.014894 Density= 0.133865 ETOT(band)= -0.001850 trlgG= -0.019507 logG= -0.014894 TDE= -0.133115 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004759 tlogG= -0.002827 logG= -0.007587 Density= 0.068470 ETOT(band)= 0.000829 trlgG= -0.008139 logG= -0.007587 TDE= -0.066280 logGD-logG0= -0.018711 tlogG= -0.015772 logG= -0.034483 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.280380 ETOT(band)= 0.008964 trlgG= -0.030490 logG= -0.034483 TDE= -0.265153 logGD-logG0= -0.009454 tlogG= -0.006358 logG= -0.015812 Density= 0.137442 ETOT(band)= 0.001649 trlgG= -0.016959 logG= -0.015812 TDE= -0.133083 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009405 tlogG= -0.006888 logG= -0.016293 Density= 0.139349 ETOT(band)= 0.003870 trlgG= -0.014996 logG= -0.016293 TDE= -0.132469 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019052 tlogG= -0.013246 logG= -0.032298 Density= 0.284658 ETOT(band)= 0.012576 trlgG= -0.025391 logG= -0.032298 TDE= -0.266347 logGD-logG0= -0.009300 tlogG= -0.009050 logG= -0.018350 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.139608 ETOT(band)= 0.003812 trlgG= -0.017014 logG= -0.018350 TDE= -0.132679 logGD-logG0= -0.009606 tlogG= -0.005014 logG= -0.014620 Density= 0.130663 ETOT(band)= -0.004842 trlgG= -0.022154 logG= -0.014620 TDE= -0.132963 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009764 tlogG= -0.006723 logG= -0.016487 Density= 0.145742 ETOT(band)= 0.008796 trlgG= -0.010789 logG= -0.016487 TDE= -0.134204 logGD-logG0= -0.009462 tlogG= -0.007534 logG= -0.016996 Density= 0.142451 ETOT(band)= 0.006464 trlgG= -0.013185 logG= -0.016996 TDE= -0.132934 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018819 tlogG= -0.013984 logG= -0.032802 Density= 0.277544 ETOT(band)= 0.006123 trlgG= -0.031733 logG= -0.032802 TDE= -0.265356 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009629 tlogG= -0.005698 logG= -0.015327 Density= 0.141528 ETOT(band)= 0.005425 trlgG= -0.012907 logG= -0.015327 TDE= -0.133438 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009440 tlogG= -0.006672 logG= -0.016112 Density= 0.140812 ETOT(band)= 0.005261 trlgG= -0.013614 logG= -0.016112 TDE= -0.132673 logGD-logG0= -0.018987 tlogG= -0.011698 logG= -0.030685 Density= 0.277089 ETOT(band)= 0.005937 trlgG= -0.030386 logG= -0.030685 TDE= -0.265688 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003100 tlogG= 0.069461 logG= 0.066361 Density= 0.046202 ETOT(band)= 0.000932 trlgG= 0.066483 logG= 0.066361 TDE= -0.044229 logGD-logG0= -0.003090 tlogG= 0.069177 logG= 0.066087 Density= 0.045850 ETOT(band)= 0.000610 trlgG= 0.065861 logG= 0.066087 TDE= -0.044240 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002318 tlogG= 0.051902 logG= 0.049584 Density= 0.034450 ETOT(band)= 0.000507 trlgG= 0.049471 logG= 0.049584 TDE= -0.033183 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009296 tlogG= 0.208401 logG= 0.199105 Density= 0.138579 ETOT(band)= 0.002830 trlgG= 0.199423 logG= 0.199105 TDE= -0.132709 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004639 tlogG= 0.104019 logG= 0.099380 Density= 0.069144 ETOT(band)= 0.001247 trlgG= 0.099397 logG= 0.099380 TDE= -0.066357 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003120 tlogG= 0.069859 logG= 0.066740 Density= 0.046273 ETOT(band)= 0.001033 trlgG= 0.066978 logG= 0.066740 TDE= -0.044181 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009332 tlogG= 0.209102 logG= 0.199770 Density= 0.139083 ETOT(band)= 0.003358 trlgG= 0.200652 logG= 0.199770 TDE= -0.132629 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.46665240413085 eV TrLogG= -13.8667380615826 eV Ratio to renormalize= 0.999999999715 rho-rho_expected= 0.000000004555 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 31) Finished k-point number 32 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 6) Finished k-point number 7 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 103) Finished k-point number 104 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 76) Finished k-point number 77 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 33) Finished k-point number 34 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 90) Finished k-point number 91 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 99) Finished k-point number 100 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 32) Finished k-point number 33 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 102) Finished k-point number 103 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931411254748094 0.928058223231936 56) Finished k-point number 57 1 with #bands= 18 7) Finished k-point number 8 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 50) Finished k-point number 51 1 with #bands= 20 6) Finished k-point number 7 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 4) Finished k-point number 5 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 31) Finished k-point number 32 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 103) Finished k-point number 104 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 72) Finished k-point number 73 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 64) Finished k-point number 65 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0606127298322 Density= 16.0056241850362 16.0000000000000 EF 12.7884988977186 Density= 15.3679569619227 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95993742 0.93993742 0.562419E-02 -0.632043 1 0.95976102 0.93993742 0.799452E-03 -0.632043 2 0.95973182 0.95976102 -0.158073E-06 0.799452E-03 3 0.95973183 0.95973182 0.329479E-10 -0.158073E-06 Absolute convergence of |F(X)|. Difference in EF= -0.0027971276 EF set to : 13.0578156023 new EF (no-mixing): 13.0578156023 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001220 tlogG= -0.001237 logG= -0.002457 Density= 0.018981 ETOT(band)= 0.001235 trlgG= -0.001626 logG= -0.002457 TDE= -0.017386 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009734 tlogG= -0.009437 logG= -0.019171 Density= 0.151746 ETOT(band)= 0.010135 trlgG= -0.012277 logG= -0.019171 TDE= -0.138741 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002432 tlogG= -0.002380 logG= -0.004812 Density= 0.037911 ETOT(band)= 0.002564 trlgG= -0.003062 logG= -0.004812 TDE= -0.034634 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004863 tlogG= -0.004571 logG= -0.009434 Density= 0.075846 ETOT(band)= 0.005147 trlgG= -0.005909 logG= -0.009434 TDE= -0.069267 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002436 tlogG= -0.002057 logG= -0.004493 Density= 0.037439 ETOT(band)= 0.002575 trlgG= -0.002776 logG= -0.004493 TDE= -0.034214 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001592 tlogG= -0.001305 logG= -0.002897 Density= 0.022788 ETOT(band)= -0.000161 trlgG= -0.003504 logG= -0.002897 TDE= -0.022477 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009783 tlogG= -0.006603 logG= -0.016386 Density= 0.143816 ETOT(band)= 0.004916 trlgG= -0.014656 logG= -0.016386 TDE= -0.136295 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009764 tlogG= -0.008579 logG= -0.018343 Density= 0.150784 ETOT(band)= 0.010571 trlgG= -0.011147 logG= -0.018343 TDE= -0.137516 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004883 tlogG= -0.004150 logG= -0.009032 Density= 0.075494 ETOT(band)= 0.005170 trlgG= -0.005549 logG= -0.009032 TDE= -0.068971 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009760 tlogG= -0.007973 logG= -0.017733 Density= 0.150565 ETOT(band)= 0.010471 trlgG= -0.010619 logG= -0.017733 TDE= -0.137388 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009775 tlogG= -0.008711 logG= -0.018486 Density= 0.151252 ETOT(band)= 0.010582 trlgG= -0.011237 logG= -0.018486 TDE= -0.137913 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009735 tlogG= -0.007715 logG= -0.017450 Density= 0.149905 ETOT(band)= 0.010861 trlgG= -0.009910 logG= -0.017450 TDE= -0.136329 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019497 tlogG= -0.014606 logG= -0.034103 Density= 0.299179 ETOT(band)= 0.020836 trlgG= -0.019785 logG= -0.034103 TDE= -0.272814 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019519 tlogG= -0.015724 logG= -0.035242 Density= 0.301294 ETOT(band)= 0.020877 trlgG= -0.021084 logG= -0.035242 TDE= -0.275004 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009775 tlogG= -0.006554 logG= -0.016329 Density= 0.147211 ETOT(band)= 0.008358 trlgG= -0.011220 logG= -0.016329 TDE= -0.136174 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003176 tlogG= -0.002505 logG= -0.005681 Density= 0.045402 ETOT(band)= -0.000320 trlgG= -0.006935 logG= -0.005681 TDE= -0.044827 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003130 tlogG= -0.002581 logG= -0.005711 Density= 0.045907 ETOT(band)= 0.000595 trlgG= -0.005897 logG= -0.005711 TDE= -0.044244 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009541 tlogG= -0.007389 logG= -0.016930 Density= 0.136816 ETOT(band)= -0.000641 trlgG= -0.020401 logG= -0.016930 TDE= -0.134777 logGD-logG0= -0.003158 tlogG= -0.002531 logG= -0.005689 Density= 0.045636 ETOT(band)= 0.000089 trlgG= -0.006460 logG= -0.005689 TDE= -0.044569 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009532 tlogG= -0.007303 logG= -0.016835 Density= 0.136687 ETOT(band)= -0.000584 trlgG= -0.020265 logG= -0.016835 TDE= -0.134613 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009518 tlogG= -0.007228 logG= -0.016746 Density= 0.136734 ETOT(band)= -0.000191 trlgG= -0.019753 logG= -0.016746 TDE= -0.134235 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009549 tlogG= -0.006594 logG= -0.016143 Density= 0.137939 ETOT(band)= 0.000745 trlgG= -0.018341 logG= -0.016143 TDE= -0.134582 logGD-logG0= -0.009461 tlogG= -0.007294 logG= -0.016755 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137405 ETOT(band)= 0.001113 trlgG= -0.018211 logG= -0.016755 TDE= -0.133328 logGD-logG0= -0.009521 tlogG= -0.006462 logG= -0.015983 Density= 0.137706 ETOT(band)= 0.001007 trlgG= -0.017863 logG= -0.015983 TDE= -0.134041 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009809 tlogG= -0.006449 logG= -0.016258 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.142508 ETOT(band)= 0.004303 trlgG= -0.015022 logG= -0.016258 TDE= -0.135533 logGD-logG0= -0.009496 tlogG= -0.007262 logG= -0.016758 Density= 0.136965 ETOT(band)= 0.000215 trlgG= -0.019272 logG= -0.016758 TDE= -0.133964 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009840 tlogG= -0.007065 logG= -0.016906 Density= 0.147545 ETOT(band)= 0.009052 trlgG= -0.011130 logG= -0.016906 TDE= -0.135828 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009642 tlogG= -0.006296 logG= -0.015938 Density= 0.140293 ETOT(band)= 0.003354 trlgG= -0.015398 logG= -0.015938 TDE= -0.134104 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009778 tlogG= -0.007478 logG= -0.017256 Density= 0.148902 ETOT(band)= 0.010683 trlgG= -0.009873 logG= -0.017256 TDE= -0.135523 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009491 tlogG= -0.006755 logG= -0.016245 Density= 0.139076 ETOT(band)= 0.002974 trlgG= -0.015882 logG= -0.016245 TDE= -0.133112 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009544 tlogG= -0.006778 logG= -0.016322 Density= 0.138514 ETOT(band)= 0.001691 trlgG= -0.017354 logG= -0.016322 TDE= -0.133967 logGD-logG0= -0.009557 tlogG= -0.006560 logG= -0.016117 Density= 0.137886 ETOT(band)= 0.000772 trlgG= -0.018322 logG= -0.016117 TDE= -0.134538 logGD-logG0= -0.009708 tlogG= -0.006514 logG= -0.016222 logGD-logG0= -0.009602 tlogG= -0.005875 logG= -0.015477 Density= 0.138101 ETOT(band)= 0.001022 trlgG= -0.017390 logG= -0.015477 TDE= -0.134454 Density= 0.143504 ETOT(band)= 0.006752 trlgG= -0.012371 logG= -0.016222 TDE= -0.133875 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004820 tlogG= -0.003065 logG= -0.007885 Density= 0.067602 ETOT(band)= -0.001235 trlgG= -0.010542 logG= -0.007885 TDE= -0.067537 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004834 tlogG= -0.002542 logG= -0.007376 Density= 0.065359 ETOT(band)= -0.002714 trlgG= -0.011366 logG= -0.007376 TDE= -0.066717 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009649 tlogG= -0.005953 logG= -0.015602 Density= 0.135878 ETOT(band)= -0.001461 trlgG= -0.019921 logG= -0.015602 TDE= -0.134726 logGD-logG0= -0.009584 tlogG= -0.005554 logG= -0.015138 Density= 0.136857 ETOT(band)= 0.000314 trlgG= -0.017757 logG= -0.015138 TDE= -0.133964 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009619 tlogG= -0.006074 logG= -0.015693 Density= 0.138682 ETOT(band)= 0.001570 trlgG= -0.016981 logG= -0.015693 TDE= -0.134385 logGD-logG0= -0.009631 tlogG= -0.005562 logG= -0.015192 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.133741 ETOT(band)= -0.003137 trlgG= -0.021123 logG= -0.015192 TDE= -0.134286 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009542 tlogG= -0.006791 logG= -0.016332 Density= 0.137554 ETOT(band)= 0.000294 trlgG= -0.018996 logG= -0.016332 TDE= -0.134679 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019178 tlogG= -0.011839 logG= -0.031017 Density= 0.277952 ETOT(band)= 0.004007 trlgG= -0.032975 logG= -0.031017 TDE= -0.268716 logGD-logG0= -0.019670 tlogG= -0.012642 logG= -0.032312 Density= 0.285152 ETOT(band)= 0.008234 trlgG= -0.030321 logG= -0.032312 TDE= -0.271678 logGD-logG0= -0.009857 tlogG= -0.006453 logG= -0.016310 Density= 0.143094 ETOT(band)= 0.004349 trlgG= -0.015131 logG= -0.016310 TDE= -0.136152 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019378 tlogG= -0.010046 logG= -0.029423 Density= 0.263925 ETOT(band)= -0.008520 trlgG= -0.043425 logG= -0.029423 TDE= -0.267299 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019196 tlogG= -0.011986 logG= -0.031181 Density= 0.278298 ETOT(band)= 0.004055 trlgG= -0.033134 logG= -0.031181 TDE= -0.269044 logGD-logG0= -0.019283 tlogG= -0.010719 logG= -0.030002 Density= 0.271389 ETOT(band)= -0.002156 trlgG= -0.037956 logG= -0.030002 TDE= -0.268414 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019428 tlogG= -0.011939 logG= -0.031367 Density= 0.281441 ETOT(band)= 0.006828 trlgG= -0.030520 logG= -0.031367 TDE= -0.269261 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019177 tlogG= -0.012133 logG= -0.031310 logGD-logG0= -0.019072 tlogG= -0.013578 logG= -0.032650 Density= 0.278114 ETOT(band)= 0.004458 trlgG= -0.032655 logG= -0.031310 TDE= -0.268260 Density= 0.275279 ETOT(band)= 0.001215 trlgG= -0.037219 logG= -0.032650 TDE= -0.268762 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009657 tlogG= -0.005388 logG= -0.015045 Density= 0.133007 ETOT(band)= -0.003824 trlgG= -0.021600 logG= -0.015045 TDE= -0.134206 logGD-logG0= -0.019109 tlogG= -0.012230 logG= -0.031339 Density= 0.278948 ETOT(band)= 0.006439 trlgG= -0.030508 logG= -0.031339 TDE= -0.266884 logGD-logG0= -0.019300 tlogG= -0.011329 logG= -0.030629 logGD-logG0= -0.004913 tlogG= -0.003534 logG= -0.008447 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019004 tlogG= -0.013627 logG= -0.032631 Density= 0.074766 ETOT(band)= 0.005011 trlgG= -0.005076 logG= -0.008447 TDE= -0.068385 Density= 0.275937 ETOT(band)= 0.003033 trlgG= -0.034988 logG= -0.032631 TDE= -0.267183 Density= 0.275441 ETOT(band)= 0.001218 trlgG= -0.035181 logG= -0.030629 TDE= -0.268901 logGD-logG0= -0.009725 tlogG= -0.004815 logG= -0.014541 Density= 0.130878 ETOT(band)= -0.005329 trlgG= -0.022588 logG= -0.014541 TDE= -0.133656 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019715 tlogG= -0.012624 logG= -0.032338 Density= 0.289559 ETOT(band)= 0.014787 trlgG= -0.023658 logG= -0.032338 TDE= -0.269219 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019388 tlogG= -0.010334 logG= -0.029722 Density= 0.278074 ETOT(band)= 0.004563 trlgG= -0.031003 logG= -0.029722 TDE= -0.268158 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019102 tlogG= -0.011513 logG= -0.030615 Density= 0.276529 ETOT(band)= 0.003902 trlgG= -0.032484 logG= -0.030615 TDE= -0.267262 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019470 tlogG= -0.011021 logG= -0.030491 logGD-logG0= -0.019328 tlogG= -0.010415 logG= -0.029743 Density= 0.274505 ETOT(band)= 0.001985 trlgG= -0.033510 logG= -0.029743 TDE= -0.267219 Density= 0.278084 ETOT(band)= 0.003598 trlgG= -0.032789 logG= -0.030491 TDE= -0.269183 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019322 tlogG= -0.011551 logG= -0.030873 Density= 0.270148 ETOT(band)= -0.004568 trlgG= -0.041167 logG= -0.030873 TDE= -0.269564 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009719 tlogG= -0.005138 logG= -0.014858 Density= 0.139954 ETOT(band)= 0.002901 trlgG= -0.014936 logG= -0.014858 TDE= -0.134397 logGD-logG0= -0.019369 tlogG= -0.010478 logG= -0.029847 Density= 0.272297 ETOT(band)= -0.001858 trlgG= -0.037342 logG= -0.029847 TDE= -0.268828 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019534 tlogG= -0.011785 logG= -0.031319 Density= 0.280250 ETOT(band)= 0.004377 trlgG= -0.033020 logG= -0.031319 TDE= -0.270666 logGD-logG0= -0.019418 tlogG= -0.009957 logG= -0.029375 Density= 0.266969 ETOT(band)= -0.006354 trlgG= -0.041264 logG= -0.029375 TDE= -0.268109 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009669 tlogG= -0.005426 logG= -0.015095 Density= 0.135899 ETOT(band)= -0.001285 trlgG= -0.019087 logG= -0.015095 TDE= -0.134418 logGD-logG0= -0.000391 tlogG= 0.008632 logG= 0.008242 Density= 0.005720 ETOT(band)= 0.000065 trlgG= 0.008202 logG= 0.008242 TDE= -0.005529 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.009876 tlogG= -0.005908 logG= -0.015783 Density= 0.143929 ETOT(band)= 0.006325 trlgG= -0.012503 logG= -0.015783 TDE= -0.134853 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009661 tlogG= -0.005072 logG= -0.014734 Density= 0.136475 ETOT(band)= -0.000423 trlgG= -0.017840 logG= -0.014734 TDE= -0.134086 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009680 tlogG= -0.005209 logG= -0.014889 Density= 0.136910 ETOT(band)= -0.000113 trlgG= -0.017776 logG= -0.014889 TDE= -0.134283 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004839 tlogG= -0.002624 logG= -0.007462 Density= 0.068648 ETOT(band)= 0.000076 trlgG= -0.008821 logG= -0.007462 TDE= -0.067242 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002459 tlogG= -0.001850 logG= -0.004308 Density= 0.036955 ETOT(band)= 0.002596 trlgG= -0.002499 logG= -0.004308 TDE= -0.033657 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002356 tlogG= -0.002329 logG= -0.004685 Density= 0.034896 ETOT(band)= 0.000945 trlgG= -0.004378 logG= -0.004685 TDE= -0.033184 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009417 tlogG= -0.008754 logG= -0.018171 logGD-logG0= -0.002403 tlogG= -0.001955 logG= -0.004358 Density= 0.035809 ETOT(band)= 0.001764 trlgG= -0.003257 logG= -0.004358 TDE= -0.033266 Density= 0.139498 ETOT(band)= 0.003716 trlgG= -0.016885 logG= -0.018171 TDE= -0.132595 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009468 tlogG= -0.007689 logG= -0.017156 Density= 0.138653 ETOT(band)= 0.002920 trlgG= -0.016611 logG= -0.017156 TDE= -0.132525 logGD-logG0= -0.009514 tlogG= -0.007341 logG= -0.016855 Density= 0.137647 ETOT(band)= 0.001666 trlgG= -0.017715 logG= -0.016855 TDE= -0.132965 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009531 tlogG= -0.007267 logG= -0.016798 Density= 0.141037 ETOT(band)= 0.005248 trlgG= -0.014222 logG= -0.016798 TDE= -0.132781 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009449 tlogG= -0.007917 logG= -0.017366 Density= 0.138915 ETOT(band)= 0.003295 trlgG= -0.016496 logG= -0.017366 TDE= -0.132450 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009760 tlogG= -0.007123 logG= -0.016883 logGD-logG0= -0.004725 tlogG= -0.003990 logG= -0.008715 Density= 0.069972 ETOT(band)= 0.002157 trlgG= -0.007798 logG= -0.008715 TDE= -0.066237 Density= 0.144894 ETOT(band)= 0.008377 trlgG= -0.011312 logG= -0.016883 TDE= -0.133488 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009572 tlogG= -0.006291 logG= -0.015863 Density= 0.137470 ETOT(band)= 0.001687 trlgG= -0.016990 logG= -0.015863 TDE= -0.133061 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009480 tlogG= -0.008373 logG= -0.017853 Density= 0.140916 ETOT(band)= 0.005060 trlgG= -0.015360 logG= -0.017853 TDE= -0.132748 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009521 tlogG= -0.006825 logG= -0.016346 Density= 0.139413 ETOT(band)= 0.003945 trlgG= -0.014991 logG= -0.016346 TDE= -0.132444 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004818 tlogG= -0.002794 logG= -0.007612 Density= 0.068393 ETOT(band)= 0.000757 trlgG= -0.008240 logG= -0.007612 TDE= -0.066267 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009686 tlogG= -0.005262 logG= -0.014948 Density= 0.133788 ETOT(band)= -0.001916 trlgG= -0.019641 logG= -0.014948 TDE= -0.133093 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019276 tlogG= -0.013117 logG= -0.032394 Density= 0.284728 ETOT(band)= 0.012670 trlgG= -0.025427 logG= -0.032394 TDE= -0.266297 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009885 tlogG= -0.006650 logG= -0.016535 Density= 0.145770 ETOT(band)= 0.008836 trlgG= -0.010818 logG= -0.016535 TDE= -0.134183 logGD-logG0= -0.009415 tlogG= -0.008984 logG= -0.018400 Density= 0.139689 ETOT(band)= 0.003903 trlgG= -0.016994 logG= -0.018400 TDE= -0.132658 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018941 tlogG= -0.015641 logG= -0.034582 Density= 0.280523 ETOT(band)= 0.009127 trlgG= -0.030461 logG= -0.034582 TDE= -0.265106 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009714 tlogG= -0.004955 logG= -0.014669 Density= 0.130701 ETOT(band)= -0.004793 trlgG= -0.022168 logG= -0.014669 TDE= -0.132938 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009574 tlogG= -0.007470 logG= -0.017044 Density= 0.142504 ETOT(band)= 0.006528 trlgG= -0.013187 logG= -0.017044 TDE= -0.132909 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019053 tlogG= -0.013851 logG= -0.032904 Density= 0.277697 ETOT(band)= 0.006299 trlgG= -0.031695 logG= -0.032904 TDE= -0.265306 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019218 tlogG= -0.011571 logG= -0.030789 Density= 0.276971 ETOT(band)= 0.005838 trlgG= -0.030608 logG= -0.030789 TDE= -0.265638 logGD-logG0= -0.009742 tlogG= -0.005634 logG= -0.015376 Density= 0.141406 ETOT(band)= 0.005316 trlgG= -0.013076 logG= -0.015376 TDE= -0.133412 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009554 tlogG= -0.006606 logG= -0.016160 Density= 0.140852 ETOT(band)= 0.005313 trlgG= -0.013628 logG= -0.016160 TDE= -0.132648 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003159 tlogG= 0.069866 logG= 0.066708 Density= 0.046304 ETOT(band)= 0.001068 trlgG= 0.066973 logG= 0.066708 TDE= -0.044174 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003129 tlogG= 0.069184 logG= 0.066055 Density= 0.045882 ETOT(band)= 0.000645 trlgG= 0.065857 logG= 0.066055 TDE= -0.044232 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003139 tlogG= 0.069468 logG= 0.066329 Density= 0.046233 ETOT(band)= 0.000967 trlgG= 0.066478 logG= 0.066329 TDE= -0.044222 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009413 tlogG= 0.208422 logG= 0.199009 Density= 0.138668 ETOT(band)= 0.002931 trlgG= 0.199406 logG= 0.199009 TDE= -0.132687 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004698 tlogG= 0.104029 logG= 0.099330 Density= 0.069191 ETOT(band)= 0.001299 trlgG= 0.099388 logG= 0.099330 TDE= -0.066346 logGD-logG0= -0.009449 tlogG= 0.209123 logG= 0.199674 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Density= 0.139170 ETOT(band)= 0.003456 trlgG= 0.200632 logG= 0.199674 TDE= -0.132607 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002347 tlogG= 0.051907 logG= 0.049560 Density= 0.034474 ETOT(band)= 0.000534 trlgG= 0.049468 logG= 0.049560 TDE= -0.033178 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.48375588811003 eV TrLogG= -13.9556415288632 eV Ratio to renormalize= 0.999999999714 rho-rho_expected= 0.000000004583 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 23) Finished k-point number 24 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 87) Finished k-point number 88 1 with #bands= 18 91) Finished k-point number 92 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 88) Finished k-point number 89 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 90) Finished k-point number 91 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 94) Finished k-point number 95 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 95) Finished k-point number 96 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 39) Finished k-point number 40 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 33) Finished k-point number 34 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 43) Finished k-point number 44 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 96) Finished k-point number 97 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 74) Finished k-point number 75 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931423032944696 0.927985198831784 27) Finished k-point number 28 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 50) Finished k-point number 51 1 with #bands= 20 8) Finished k-point number 9 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 26 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0578156022610 Density= 15.9957719020844 16.0000000000000 EF 13.3299294343745 Density= 16.4963649710201 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97973183 0.95973183 0.496365 -0.422810E-02 1 0.96973183 0.95973185 0.255629 -0.422810E-02 2 0.96473184 0.95973160 0.128857 -0.422810E-02 3 0.96223172 0.95973173 0.633094E-01 -0.422810E-02 4 0.96098172 0.95973166 0.298196E-01 -0.422810E-02 5 0.96035669 0.95973193 0.128674E-01 -0.422810E-02 6 0.96004431 0.95973204 0.433997E-02 -0.422810E-02 7 0.95988817 0.95973198 0.635483E-04 -0.422810E-02 8 0.95988586 0.95973198 0.213679E-07 -0.422810E-02 9 0.95988586 0.95973198 0.319744E-12 -0.422810E-02 Absolute convergence of |F(X)|. Difference in EF= 0.0020956379 EF set to : 13.0599112401 new EF (no-mixing): 13.0599112401 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001220 tlogG= -0.001237 logG= -0.002457 Density= 0.018980 ETOT(band)= 0.001236 trlgG= -0.001626 logG= -0.002457 TDE= -0.017387 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009734 tlogG= -0.009438 logG= -0.019172 Density= 0.151731 ETOT(band)= 0.010141 trlgG= -0.012275 logG= -0.019172 TDE= -0.138748 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002432 tlogG= -0.002380 logG= -0.004812 Density= 0.037907 ETOT(band)= 0.002565 trlgG= -0.003061 logG= -0.004812 TDE= -0.034636 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004863 tlogG= -0.004572 logG= -0.009435 Density= 0.075839 ETOT(band)= 0.005150 trlgG= -0.005908 logG= -0.009435 TDE= -0.069270 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002436 tlogG= -0.002057 logG= -0.004494 Density= 0.037433 ETOT(band)= 0.002575 trlgG= -0.002778 logG= -0.004494 TDE= -0.034216 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009760 tlogG= -0.007973 logG= -0.017733 Density= 0.150547 ETOT(band)= 0.010474 trlgG= -0.010619 logG= -0.017733 TDE= -0.137394 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001592 tlogG= -0.001305 logG= -0.002897 Density= 0.022787 ETOT(band)= -0.000159 trlgG= -0.003502 logG= -0.002897 TDE= -0.022478 logGD-logG0= -0.009783 tlogG= -0.006605 logG= -0.016388 Density= 0.143829 ETOT(band)= 0.004947 trlgG= -0.014629 logG= -0.016388 TDE= -0.136301 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004883 tlogG= -0.004150 logG= -0.009033 Density= 0.075486 ETOT(band)= 0.005171 trlgG= -0.005549 logG= -0.009033 TDE= -0.068974 logGD-logG0= -0.009764 tlogG= -0.008580 logG= -0.018344 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.150766 ETOT(band)= 0.010573 trlgG= -0.011148 logG= -0.018344 TDE= -0.137523 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009775 tlogG= -0.008712 logG= -0.018487 Density= 0.151236 ETOT(band)= 0.010587 trlgG= -0.011237 logG= -0.018487 TDE= -0.137919 logGD-logG0= -0.009735 tlogG= -0.007715 logG= -0.017451 Density= 0.149887 ETOT(band)= 0.010863 trlgG= -0.009911 logG= -0.017451 TDE= -0.136335 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019520 tlogG= -0.015725 logG= -0.035245 Density= 0.301260 ETOT(band)= 0.020884 trlgG= -0.021085 logG= -0.035245 TDE= -0.275016 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019498 tlogG= -0.014606 logG= -0.034105 Density= 0.299149 ETOT(band)= 0.020846 trlgG= -0.019781 logG= -0.034105 TDE= -0.272825 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009775 tlogG= -0.006555 logG= -0.016330 Density= 0.147202 ETOT(band)= 0.008368 trlgG= -0.011213 logG= -0.016330 TDE= -0.136180 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003176 tlogG= -0.002505 logG= -0.005681 Density= 0.045399 ETOT(band)= -0.000316 trlgG= -0.006932 logG= -0.005681 TDE= -0.044828 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003130 tlogG= -0.002581 logG= -0.005711 Density= 0.045905 ETOT(band)= 0.000600 trlgG= -0.005892 logG= -0.005711 TDE= -0.044245 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003158 tlogG= -0.002530 logG= -0.005689 Density= 0.045633 ETOT(band)= 0.000093 trlgG= -0.006456 logG= -0.005689 TDE= -0.044570 logGD-logG0= -0.009541 tlogG= -0.007389 logG= -0.016929 Density= 0.136809 ETOT(band)= -0.000627 trlgG= -0.020389 logG= -0.016929 TDE= -0.134781 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009533 tlogG= -0.007302 logG= -0.016835 Density= 0.136679 ETOT(band)= -0.000572 trlgG= -0.020255 logG= -0.016835 TDE= -0.134617 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009518 tlogG= -0.007228 logG= -0.016746 Density= 0.136727 ETOT(band)= -0.000178 trlgG= -0.019742 logG= -0.016746 TDE= -0.134238 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009549 tlogG= -0.006593 logG= -0.016142 Density= 0.137934 ETOT(band)= 0.000760 trlgG= -0.018328 logG= -0.016142 TDE= -0.134586 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009841 tlogG= -0.007065 logG= -0.016906 Density= 0.147528 ETOT(band)= 0.009055 trlgG= -0.011130 logG= -0.016906 TDE= -0.135834 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009461 tlogG= -0.007295 logG= -0.016756 logGD-logG0= -0.009496 tlogG= -0.007260 logG= -0.016756 Density= 0.136957 ETOT(band)= 0.000228 trlgG= -0.019260 logG= -0.016756 TDE= -0.133967 Density= 0.137399 ETOT(band)= 0.001127 trlgG= -0.018199 logG= -0.016756 TDE= -0.133331 logGD-logG0= -0.009809 tlogG= -0.006448 logG= -0.016257 Density= 0.142518 ETOT(band)= 0.004332 trlgG= -0.014994 logG= -0.016257 TDE= -0.135538 logGD-logG0= -0.009522 tlogG= -0.006461 logG= -0.015983 Density= 0.137700 ETOT(band)= 0.001022 trlgG= -0.017851 logG= -0.015983 TDE= -0.134044 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009642 tlogG= -0.006296 logG= -0.015938 Density= 0.140298 ETOT(band)= 0.003378 trlgG= -0.015376 logG= -0.015938 TDE= -0.134109 logGD-logG0= -0.009778 tlogG= -0.007478 logG= -0.017256 Density= 0.148886 ETOT(band)= 0.010686 trlgG= -0.009871 logG= -0.017256 TDE= -0.135529 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009544 tlogG= -0.006776 logG= -0.016320 Density= 0.138511 ETOT(band)= 0.001709 trlgG= -0.017336 logG= -0.016320 TDE= -0.133971 logGD-logG0= -0.004821 tlogG= -0.003064 logG= -0.007885 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.067597 ETOT(band)= -0.001230 trlgG= -0.010539 logG= -0.007885 TDE= -0.067539 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009603 tlogG= -0.005874 logG= -0.015477 Density= 0.138100 ETOT(band)= 0.001041 trlgG= -0.017374 logG= -0.015477 TDE= -0.134458 logGD-logG0= -0.009557 tlogG= -0.006559 logG= -0.016116 Density= 0.137881 ETOT(band)= 0.000788 trlgG= -0.018307 logG= -0.016116 TDE= -0.134542 logGD-logG0= -0.009491 tlogG= -0.006755 logG= -0.016245 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.139073 ETOT(band)= 0.002992 trlgG= -0.015867 logG= -0.016245 TDE= -0.133116 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009631 tlogG= -0.005562 logG= -0.015192 Density= 0.133732 ETOT(band)= -0.003126 trlgG= -0.021114 logG= -0.015192 TDE= -0.134289 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009583 tlogG= -0.005551 logG= -0.015134 Density= 0.136853 ETOT(band)= 0.000328 trlgG= -0.017740 logG= -0.015134 TDE= -0.133968 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004834 tlogG= -0.002540 logG= -0.007374 Density= 0.065359 ETOT(band)= -0.002705 trlgG= -0.011356 logG= -0.007374 TDE= -0.066719 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009542 tlogG= -0.006789 logG= -0.016330 Density= 0.137548 ETOT(band)= 0.000308 trlgG= -0.018982 logG= -0.016330 TDE= -0.134683 logGD-logG0= -0.009619 tlogG= -0.006075 logG= -0.015694 logGD-logG0= -0.009709 tlogG= -0.006513 logG= -0.016222 Density= 0.143510 ETOT(band)= 0.006777 trlgG= -0.012348 logG= -0.016222 TDE= -0.133879 Density= 0.138683 ETOT(band)= 0.001591 trlgG= -0.016964 logG= -0.015694 TDE= -0.134390 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009648 tlogG= -0.005951 logG= -0.015600 Density= 0.135872 ETOT(band)= -0.001448 trlgG= -0.019907 logG= -0.015600 TDE= -0.134729 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019672 tlogG= -0.012641 logG= -0.032313 Density= 0.285177 ETOT(band)= 0.008295 trlgG= -0.030265 logG= -0.032313 TDE= -0.271689 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009858 tlogG= -0.006453 logG= -0.016311 Density= 0.143116 ETOT(band)= 0.004389 trlgG= -0.015095 logG= -0.016311 TDE= -0.136158 logGD-logG0= -0.019072 tlogG= -0.013573 logG= -0.032645 Density= 0.275268 ETOT(band)= 0.001244 trlgG= -0.037189 logG= -0.032645 TDE= -0.268770 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019285 tlogG= -0.010718 logG= -0.030003 Density= 0.271401 ETOT(band)= -0.002104 trlgG= -0.037911 logG= -0.030003 TDE= -0.268422 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019180 tlogG= -0.011841 logG= -0.031021 Density= 0.277954 ETOT(band)= 0.004050 trlgG= -0.032942 logG= -0.031021 TDE= -0.268725 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019430 tlogG= -0.011936 logG= -0.031366 Density= 0.281458 ETOT(band)= 0.006883 trlgG= -0.030469 logG= -0.031366 TDE= -0.269270 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019176 tlogG= -0.012137 logG= -0.031313 logGD-logG0= -0.019103 tlogG= -0.011511 logG= -0.030614 Density= 0.278112 ETOT(band)= 0.004495 trlgG= -0.032626 logG= -0.031313 TDE= -0.268268 Density= 0.276525 ETOT(band)= 0.003938 trlgG= -0.032452 logG= -0.030614 TDE= -0.267270 logGD-logG0= -0.000391 tlogG= 0.008634 logG= 0.008243 Density= 0.005720 ETOT(band)= 0.000066 trlgG= 0.008204 logG= 0.008243 TDE= -0.005529 logGD-logG0= -0.019300 tlogG= -0.011326 logG= -0.030626 Density= 0.275450 ETOT(band)= 0.001265 trlgG= -0.035135 logG= -0.030626 TDE= -0.268909 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019379 tlogG= -0.010044 logG= -0.029422 Density= 0.263951 ETOT(band)= -0.008456 trlgG= -0.043366 logG= -0.029422 TDE= -0.267307 logGD-logG0= -0.004914 tlogG= -0.003534 logG= -0.008448 Density= 0.074760 ETOT(band)= 0.005015 trlgG= -0.005074 logG= -0.008448 TDE= -0.068388 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019196 tlogG= -0.011985 logG= -0.031180 Density= 0.278300 ETOT(band)= 0.004095 trlgG= -0.033097 logG= -0.031180 TDE= -0.269053 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019004 tlogG= -0.013623 logG= -0.032628 Density= 0.275927 ETOT(band)= 0.003065 trlgG= -0.034959 logG= -0.032628 TDE= -0.267190 logGD-logG0= -0.019716 tlogG= -0.012625 logG= -0.032340 Density= 0.289569 ETOT(band)= 0.014836 trlgG= -0.023616 logG= -0.032340 TDE= -0.269229 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019388 tlogG= -0.010335 logG= -0.029723 Density= 0.278112 ETOT(band)= 0.004637 trlgG= -0.030934 logG= -0.029723 TDE= -0.268167 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019108 tlogG= -0.012226 logG= -0.031334 logGD-logG0= -0.019535 tlogG= -0.011784 logG= -0.031319 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278950 ETOT(band)= 0.006480 trlgG= -0.030467 logG= -0.031334 TDE= -0.266893 Density= 0.280277 ETOT(band)= 0.004439 trlgG= -0.032961 logG= -0.031319 TDE= -0.270676 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009726 tlogG= -0.004816 logG= -0.014542 logGD-logG0= -0.009657 tlogG= -0.005392 logG= -0.015049 Density= 0.130900 ETOT(band)= -0.005289 trlgG= -0.022553 logG= -0.014542 TDE= -0.133660 Density= 0.133011 ETOT(band)= -0.003802 trlgG= -0.021583 logG= -0.015049 TDE= -0.134209 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009719 tlogG= -0.005135 logG= -0.014854 Density= 0.139957 ETOT(band)= 0.002922 trlgG= -0.014913 logG= -0.014854 TDE= -0.134402 logGD-logG0= -0.019323 tlogG= -0.011553 logG= -0.030877 logGD-logG0= -0.019369 tlogG= -0.010474 logG= -0.029844 Density= 0.272312 ETOT(band)= -0.001806 trlgG= -0.037292 logG= -0.029844 TDE= -0.268836 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019331 tlogG= -0.010417 logG= -0.029748 Density= 0.270138 ETOT(band)= -0.004538 trlgG= -0.041146 logG= -0.030877 TDE= -0.269571 Density= 0.274541 ETOT(band)= 0.002060 trlgG= -0.033448 logG= -0.029748 TDE= -0.267228 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019417 tlogG= -0.009957 logG= -0.029374 Density= 0.267007 ETOT(band)= -0.006279 trlgG= -0.041194 logG= -0.029374 TDE= -0.268117 logGD-logG0= -0.009876 tlogG= -0.005908 logG= -0.015784 logGD-logG0= -0.019470 tlogG= -0.011016 logG= -0.030487 Density= 0.278103 ETOT(band)= 0.003654 trlgG= -0.032732 logG= -0.030487 TDE= -0.269193 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.143934 ETOT(band)= 0.006349 trlgG= -0.012482 logG= -0.015784 TDE= -0.134858 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009681 tlogG= -0.005208 logG= -0.014888 Density= 0.136913 ETOT(band)= -0.000090 trlgG= -0.017755 logG= -0.014888 TDE= -0.134287 logGD-logG0= -0.009671 tlogG= -0.005426 logG= -0.015097 Density= 0.135894 ETOT(band)= -0.001269 trlgG= -0.019076 logG= -0.015097 TDE= -0.134421 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009661 tlogG= -0.005072 logG= -0.014733 Density= 0.136474 ETOT(band)= -0.000404 trlgG= -0.017823 logG= -0.014733 TDE= -0.134089 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004839 tlogG= -0.002623 logG= -0.007462 Density= 0.068647 ETOT(band)= 0.000085 trlgG= -0.008812 logG= -0.007462 TDE= -0.067244 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002459 tlogG= -0.001850 logG= -0.004308 Density= 0.036953 ETOT(band)= 0.002599 trlgG= -0.002497 logG= -0.004308 TDE= -0.033659 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009417 tlogG= -0.008753 logG= -0.018170 Density= 0.139495 ETOT(band)= 0.003734 trlgG= -0.016869 logG= -0.018170 TDE= -0.132598 logGD-logG0= -0.009514 tlogG= -0.007338 logG= -0.016852 Density= 0.137641 ETOT(band)= 0.001682 trlgG= -0.017699 logG= -0.016852 TDE= -0.132967 logGD-logG0= -0.002356 tlogG= -0.002329 logG= -0.004685 Density= 0.034896 ETOT(band)= 0.000949 trlgG= -0.004374 logG= -0.004685 TDE= -0.033185 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009468 tlogG= -0.007688 logG= -0.017156 Density= 0.138649 ETOT(band)= 0.002937 trlgG= -0.016597 logG= -0.017156 TDE= -0.132528 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009531 tlogG= -0.007267 logG= -0.016798 Density= 0.141039 ETOT(band)= 0.005270 trlgG= -0.014202 logG= -0.016798 TDE= -0.132785 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002403 tlogG= -0.001955 logG= -0.004358 Density= 0.035810 ETOT(band)= 0.001769 trlgG= -0.003252 logG= -0.004358 TDE= -0.033267 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009480 tlogG= -0.008372 logG= -0.017852 Density= 0.140916 ETOT(band)= 0.005081 trlgG= -0.015340 logG= -0.017852 TDE= -0.132752 logGD-logG0= -0.009520 tlogG= -0.006824 logG= -0.016344 logGD-logG0= -0.004725 tlogG= -0.003990 logG= -0.008715 Density= 0.069971 ETOT(band)= 0.002167 trlgG= -0.007790 logG= -0.008715 TDE= -0.066239 Density= 0.139411 ETOT(band)= 0.003963 trlgG= -0.014973 logG= -0.016344 TDE= -0.132447 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009761 tlogG= -0.007124 logG= -0.016885 Density= 0.144896 ETOT(band)= 0.008399 trlgG= -0.011295 logG= -0.016885 TDE= -0.133493 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009685 tlogG= -0.005259 logG= -0.014944 Density= 0.133790 ETOT(band)= -0.001896 trlgG= -0.019617 logG= -0.014944 TDE= -0.133097 logGD-logG0= -0.009571 tlogG= -0.006289 logG= -0.015860 Density= 0.137464 ETOT(band)= 0.001701 trlgG= -0.016976 logG= -0.015860 TDE= -0.133065 logGD-logG0= -0.009449 tlogG= -0.007915 logG= -0.017364 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.138910 ETOT(band)= 0.003311 trlgG= -0.016479 logG= -0.017364 TDE= -0.132453 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018941 tlogG= -0.015639 logG= -0.034579 Density= 0.280521 ETOT(band)= 0.009166 trlgG= -0.030424 logG= -0.034579 TDE= -0.265113 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004818 tlogG= -0.002794 logG= -0.007611 Density= 0.068394 ETOT(band)= 0.000766 trlgG= -0.008230 logG= -0.007611 TDE= -0.066269 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019277 tlogG= -0.013118 logG= -0.032395 Density= 0.284738 ETOT(band)= 0.012718 trlgG= -0.025385 logG= -0.032395 TDE= -0.266306 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009415 tlogG= -0.008983 logG= -0.018399 Density= 0.139686 ETOT(band)= 0.003921 trlgG= -0.016977 logG= -0.018399 TDE= -0.132661 logGD-logG0= -0.009885 tlogG= -0.006651 logG= -0.016536 Density= 0.145767 ETOT(band)= 0.008852 trlgG= -0.010804 logG= -0.016536 TDE= -0.134188 logGD-logG0= -0.009715 tlogG= -0.004955 logG= -0.014670 Density= 0.130720 ETOT(band)= -0.004756 trlgG= -0.022135 logG= -0.014670 TDE= -0.132941 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009574 tlogG= -0.007470 logG= -0.017044 Density= 0.142507 ETOT(band)= 0.006550 trlgG= -0.013167 logG= -0.017044 TDE= -0.132913 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009742 tlogG= -0.005634 logG= -0.015376 Density= 0.141418 ETOT(band)= 0.005346 trlgG= -0.013049 logG= -0.015376 TDE= -0.133417 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019221 tlogG= -0.011574 logG= -0.030795 Density= 0.276971 ETOT(band)= 0.005879 trlgG= -0.030580 logG= -0.030795 TDE= -0.265646 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009555 tlogG= -0.006607 logG= -0.016161 Density= 0.140853 ETOT(band)= 0.005334 trlgG= -0.013610 logG= -0.016161 TDE= -0.132652 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019052 tlogG= -0.013849 logG= -0.032901 Density= 0.277692 ETOT(band)= 0.006332 trlgG= -0.031661 logG= -0.032901 TDE= -0.265312 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003129 tlogG= 0.069196 logG= 0.066067 Density= 0.045879 ETOT(band)= 0.000650 trlgG= 0.065873 logG= 0.066067 TDE= -0.044233 logGD-logG0= -0.003159 tlogG= 0.069878 logG= 0.066719 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Density= 0.046303 ETOT(band)= 0.001073 trlgG= 0.066990 logG= 0.066719 TDE= -0.044175 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002347 tlogG= 0.051916 logG= 0.049569 Density= 0.034472 ETOT(band)= 0.000537 trlgG= 0.049480 logG= 0.049569 TDE= -0.033178 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003139 tlogG= 0.069480 logG= 0.066340 Density= 0.046231 ETOT(band)= 0.000972 trlgG= 0.066494 logG= 0.066340 TDE= -0.044223 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004698 tlogG= 0.104046 logG= 0.099348 Density= 0.069188 ETOT(band)= 0.001307 trlgG= 0.099413 logG= 0.099348 TDE= -0.066348 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009450 tlogG= 0.209157 logG= 0.199708 Density= 0.139166 ETOT(band)= 0.003473 trlgG= 0.200680 logG= 0.199708 TDE= -0.132611 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009413 tlogG= 0.208458 logG= 0.199045 Density= 0.138664 ETOT(band)= 0.002947 trlgG= 0.199456 logG= 0.199045 TDE= -0.132690 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.51423703956170 eV TrLogG= -13.9266791334209 eV Ratio to renormalize= 0.999999999715 rho-rho_expected= 0.000000004553 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 33) Finished k-point number 34 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 61) Finished k-point number 62 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 16) Finished k-point number 17 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 40) Finished k-point number 41 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 39) Finished k-point number 40 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 66) Finished k-point number 67 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 76) Finished k-point number 77 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 95) Finished k-point number 96 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 26) Finished k-point number 27 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 91) Finished k-point number 92 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 90) Finished k-point number 91 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 100) Finished k-point number 101 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931338426678641 0.927991911580394 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 16) Finished k-point number 17 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 72) Finished k-point number 73 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 40) Finished k-point number 41 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0599112401282 Density= 16.0127571332228 16.0000000000000 EF 12.7877974080147 Density= 15.3778249211810 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95988586 0.93988586 0.127571E-01 -0.622175 1 0.95948401 0.93988586 0.169216E-02 -0.622175 2 0.95942273 0.95948401 -0.614633E-06 0.169216E-02 3 0.95942275 0.95942273 0.252719E-09 -0.614633E-06 4 0.95942275 0.95942275 -0.251047E-08 0.252719E-09 5 0.95942275 0.95942275 -0.251047E-08 0.252719E-09 Absolute convergence of the X interval. Difference in EF= -0.0063008929 EF set to : 13.0536103473 new EF (no-mixing): 13.0536103473 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001214 tlogG= -0.001238 logG= -0.002453 Density= 0.018972 ETOT(band)= 0.001229 trlgG= -0.001631 logG= -0.002453 TDE= -0.017381 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009689 tlogG= -0.009447 logG= -0.019137 Density= 0.151668 ETOT(band)= 0.010081 trlgG= -0.012323 logG= -0.019137 TDE= -0.138700 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002421 tlogG= -0.002383 logG= -0.004803 Density= 0.037890 ETOT(band)= 0.002549 trlgG= -0.003074 logG= -0.004803 TDE= -0.034624 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004841 tlogG= -0.004576 logG= -0.009417 Density= 0.075805 ETOT(band)= 0.005117 trlgG= -0.005934 logG= -0.009417 TDE= -0.069247 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002426 tlogG= -0.002059 logG= -0.004485 Density= 0.037406 ETOT(band)= 0.002548 trlgG= -0.002800 logG= -0.004485 TDE= -0.034204 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009717 tlogG= -0.007983 logG= -0.017700 Density= 0.150444 ETOT(band)= 0.010372 trlgG= -0.010707 logG= -0.017700 TDE= -0.137346 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001584 tlogG= -0.001308 logG= -0.002892 Density= 0.022789 ETOT(band)= -0.000156 trlgG= -0.003498 logG= -0.002892 TDE= -0.022470 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004861 tlogG= -0.004154 logG= -0.009015 Density= 0.075437 ETOT(band)= 0.005124 trlgG= -0.005589 logG= -0.009015 TDE= -0.068951 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009721 tlogG= -0.008588 logG= -0.018309 Density= 0.150667 ETOT(band)= 0.010476 trlgG= -0.011231 logG= -0.018309 TDE= -0.137475 logGD-logG0= -0.009741 tlogG= -0.006614 logG= -0.016355 Density= 0.143860 ETOT(band)= 0.004984 trlgG= -0.014585 logG= -0.016355 TDE= -0.136253 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009693 tlogG= -0.007724 logG= -0.017417 Density= 0.149784 ETOT(band)= 0.010761 trlgG= -0.009999 logG= -0.017417 TDE= -0.136288 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009731 tlogG= -0.008721 logG= -0.018452 Density= 0.151149 ETOT(band)= 0.010502 trlgG= -0.011307 logG= -0.018452 TDE= -0.137871 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019432 tlogG= -0.015742 logG= -0.035174 Density= 0.301045 ETOT(band)= 0.020671 trlgG= -0.021266 logG= -0.035174 TDE= -0.274921 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019413 tlogG= -0.014625 logG= -0.034038 Density= 0.298968 ETOT(band)= 0.020670 trlgG= -0.019931 logG= -0.034038 TDE= -0.272730 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009733 tlogG= -0.006564 logG= -0.016297 Density= 0.147175 ETOT(band)= 0.008346 trlgG= -0.011226 logG= -0.016297 TDE= -0.136133 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003161 tlogG= -0.002509 logG= -0.005670 Density= 0.045395 ETOT(band)= -0.000318 trlgG= -0.006929 logG= -0.005670 TDE= -0.044812 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003115 tlogG= -0.002585 logG= -0.005700 Density= 0.045911 ETOT(band)= 0.000608 trlgG= -0.005881 logG= -0.005700 TDE= -0.044229 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009486 tlogG= -0.007319 logG= -0.016805 logGD-logG0= -0.009494 tlogG= -0.007404 logG= -0.016898 Density= 0.136809 ETOT(band)= -0.000620 trlgG= -0.020374 logG= -0.016898 TDE= -0.134734 Density= 0.136675 ETOT(band)= -0.000569 trlgG= -0.020245 logG= -0.016805 TDE= -0.134569 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003143 tlogG= -0.002536 logG= -0.005679 Density= 0.045635 ETOT(band)= 0.000097 trlgG= -0.006450 logG= -0.005679 TDE= -0.044554 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009471 tlogG= -0.007242 logG= -0.016714 Density= 0.136720 ETOT(band)= -0.000179 trlgG= -0.019733 logG= -0.016714 TDE= -0.134191 logGD-logG0= -0.009415 tlogG= -0.007309 logG= -0.016724 Density= 0.137403 ETOT(band)= 0.001138 trlgG= -0.018180 logG= -0.016724 TDE= -0.133283 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009450 tlogG= -0.007276 logG= -0.016726 Density= 0.136956 ETOT(band)= 0.000233 trlgG= -0.019247 logG= -0.016726 TDE= -0.133920 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009736 tlogG= -0.007487 logG= -0.017223 Density= 0.148839 ETOT(band)= 0.010642 trlgG= -0.009905 logG= -0.017223 TDE= -0.135481 logGD-logG0= -0.009501 tlogG= -0.006606 logG= -0.016107 Density= 0.137934 ETOT(band)= 0.000767 trlgG= -0.018309 logG= -0.016107 TDE= -0.134539 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009797 tlogG= -0.007074 logG= -0.016872 Density= 0.147540 ETOT(band)= 0.009072 trlgG= -0.011105 logG= -0.016872 TDE= -0.135786 logGD-logG0= -0.009762 tlogG= -0.006462 logG= -0.016224 Density= 0.142561 ETOT(band)= 0.004383 trlgG= -0.014938 logG= -0.016224 TDE= -0.135490 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009595 tlogG= -0.006307 logG= -0.015902 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.140299 ETOT(band)= 0.003390 trlgG= -0.015356 logG= -0.015902 TDE= -0.134060 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009510 tlogG= -0.006573 logG= -0.016083 Density= 0.137877 ETOT(band)= 0.000792 trlgG= -0.018295 logG= -0.016083 TDE= -0.134495 logGD-logG0= -0.009556 tlogG= -0.005888 logG= -0.015444 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138073 ETOT(band)= 0.001022 trlgG= -0.017384 logG= -0.015444 TDE= -0.134410 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009473 tlogG= -0.006474 logG= -0.015947 Density= 0.137691 ETOT(band)= 0.001019 trlgG= -0.017841 logG= -0.015947 TDE= -0.133997 logGD-logG0= -0.009497 tlogG= -0.006790 logG= -0.016287 Density= 0.138521 ETOT(band)= 0.001728 trlgG= -0.017310 logG= -0.016287 TDE= -0.133924 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009572 tlogG= -0.006089 logG= -0.015660 Density= 0.138666 ETOT(band)= 0.001584 trlgG= -0.016963 logG= -0.015660 TDE= -0.134342 logGD-logG0= -0.009444 tlogG= -0.006768 logG= -0.016211 Density= 0.139080 ETOT(band)= 0.003008 trlgG= -0.015836 logG= -0.016211 TDE= -0.133061 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004797 tlogG= -0.003071 logG= -0.007868 Density= 0.067568 ETOT(band)= -0.001256 trlgG= -0.010560 logG= -0.007868 TDE= -0.067519 logGD-logG0= -0.009602 tlogG= -0.005967 logG= -0.015570 logGD-logG0= -0.004812 tlogG= -0.002549 logG= -0.007360 Density= 0.135801 ETOT(band)= -0.001512 trlgG= -0.019969 logG= -0.015570 TDE= -0.134690 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.065434 ETOT(band)= -0.002624 trlgG= -0.011279 logG= -0.007360 TDE= -0.066698 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009663 tlogG= -0.006526 logG= -0.016189 logGD-logG0= -0.009587 tlogG= -0.005579 logG= -0.015167 Density= 0.133710 ETOT(band)= -0.003142 trlgG= -0.021132 logG= -0.015167 TDE= -0.134250 Density= 0.143582 ETOT(band)= 0.006857 trlgG= -0.012265 logG= -0.016189 TDE= -0.133832 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009494 tlogG= -0.006803 logG= -0.016298 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137546 ETOT(band)= 0.000314 trlgG= -0.018968 logG= -0.016298 TDE= -0.134636 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009538 tlogG= -0.005567 logG= -0.015105 Density= 0.136810 ETOT(band)= 0.000295 trlgG= -0.017767 logG= -0.015105 TDE= -0.133921 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019579 tlogG= -0.012667 logG= -0.032246 logGD-logG0= -0.019083 tlogG= -0.011861 logG= -0.030944 Density= 0.277946 ETOT(band)= 0.004059 trlgG= -0.032907 logG= -0.030944 TDE= -0.268630 Density= 0.285263 ETOT(band)= 0.008396 trlgG= -0.030152 logG= -0.032246 TDE= -0.271594 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019191 tlogG= -0.010745 logG= -0.029936 Density= 0.271272 ETOT(band)= -0.002216 trlgG= -0.037999 logG= -0.029936 TDE= -0.268327 logGD-logG0= -0.018977 tlogG= -0.013600 logG= -0.032578 Density= 0.275264 ETOT(band)= 0.001256 trlgG= -0.037158 logG= -0.032578 TDE= -0.268675 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009813 tlogG= -0.006464 logG= -0.016277 Density= 0.143155 ETOT(band)= 0.004435 trlgG= -0.015042 logG= -0.016277 TDE= -0.136111 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019102 tlogG= -0.012013 logG= -0.031115 Density= 0.278306 ETOT(band)= 0.004121 trlgG= -0.033059 logG= -0.031115 TDE= -0.268958 logGD-logG0= -0.019014 tlogG= -0.012250 logG= -0.031265 Density= 0.278923 ETOT(band)= 0.006475 trlgG= -0.030442 logG= -0.031265 TDE= -0.266783 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019335 tlogG= -0.011959 logG= -0.031295 logGD-logG0= -0.019082 tlogG= -0.012161 logG= -0.031243 Density= 0.278104 ETOT(band)= 0.004507 trlgG= -0.032598 logG= -0.031243 TDE= -0.268174 Density= 0.281445 ETOT(band)= 0.006891 trlgG= -0.030446 logG= -0.031295 TDE= -0.269176 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004892 tlogG= -0.003539 logG= -0.008431 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.074713 ETOT(band)= 0.004969 trlgG= -0.005113 logG= -0.008431 TDE= -0.068364 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019208 tlogG= -0.011357 logG= -0.030565 Density= 0.275316 ETOT(band)= 0.001153 trlgG= -0.035235 logG= -0.030565 TDE= -0.268815 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000389 tlogG= 0.008629 logG= 0.008240 Density= 0.005721 ETOT(band)= 0.000067 trlgG= 0.008202 logG= 0.008240 TDE= -0.005527 logGD-logG0= -0.009676 tlogG= -0.004829 logG= -0.014505 Density= 0.131038 ETOT(band)= -0.005139 trlgG= -0.022390 logG= -0.014505 TDE= -0.133606 logGD-logG0= -0.019288 tlogG= -0.010077 logG= -0.029365 Density= 0.264239 ETOT(band)= -0.008145 trlgG= -0.043060 logG= -0.029365 TDE= -0.267212 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019298 tlogG= -0.010363 logG= -0.029661 Density= 0.278077 ETOT(band)= 0.004628 trlgG= -0.030940 logG= -0.029661 TDE= -0.268072 logGD-logG0= -0.019237 tlogG= -0.010437 logG= -0.029674 Density= 0.274599 ETOT(band)= 0.002143 trlgG= -0.033335 logG= -0.029674 TDE= -0.267118 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019629 tlogG= -0.012642 logG= -0.032271 Density= 0.289735 ETOT(band)= 0.015017 trlgG= -0.023427 logG= -0.032271 TDE= -0.269134 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019011 tlogG= -0.011541 logG= -0.030552 Density= 0.276469 ETOT(band)= 0.003901 trlgG= -0.032477 logG= -0.030552 TDE= -0.267176 logGD-logG0= -0.018910 tlogG= -0.013648 logG= -0.032559 Density= 0.275933 ETOT(band)= 0.003086 trlgG= -0.034918 logG= -0.032559 TDE= -0.267095 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019231 tlogG= -0.011580 logG= -0.030812 logGD-logG0= -0.009674 tlogG= -0.005149 logG= -0.014823 Density= 0.139961 ETOT(band)= 0.002938 trlgG= -0.014896 logG= -0.014823 TDE= -0.134355 Density= 0.270006 ETOT(band)= -0.004657 trlgG= -0.041253 logG= -0.030812 TDE= -0.269491 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009613 tlogG= -0.005406 logG= -0.015019 Density= 0.133029 ETOT(band)= -0.003776 trlgG= -0.021558 logG= -0.015019 TDE= -0.134170 logGD-logG0= -0.019278 tlogG= -0.010505 logG= -0.029783 Density= 0.272182 ETOT(band)= -0.001913 trlgG= -0.037387 logG= -0.029783 TDE= -0.268742 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019441 tlogG= -0.011810 logG= -0.031251 Density= 0.280255 ETOT(band)= 0.004436 trlgG= -0.032949 logG= -0.031251 TDE= -0.270581 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019378 tlogG= -0.011042 logG= -0.030421 Density= 0.278037 ETOT(band)= 0.003609 trlgG= -0.032764 logG= -0.030421 TDE= -0.269098 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019326 tlogG= -0.009983 logG= -0.029310 Density= 0.267112 ETOT(band)= -0.006153 trlgG= -0.041058 logG= -0.029310 TDE= -0.268022 logGD-logG0= -0.009833 tlogG= -0.005918 logG= -0.015751 Density= 0.143996 ETOT(band)= 0.006419 trlgG= -0.012408 logG= -0.015751 TDE= -0.134810 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009624 tlogG= -0.005441 logG= -0.015066 Density= 0.135818 ETOT(band)= -0.001336 trlgG= -0.019139 logG= -0.015066 TDE= -0.134381 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009613 tlogG= -0.005083 logG= -0.014696 Density= 0.136388 ETOT(band)= -0.000481 trlgG= -0.017885 logG= -0.014696 TDE= -0.134042 logGD-logG0= -0.009634 tlogG= -0.005222 logG= -0.014856 Density= 0.136838 ETOT(band)= -0.000155 trlgG= -0.017811 logG= -0.014856 TDE= -0.134240 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004815 tlogG= -0.002630 logG= -0.007445 Density= 0.068614 ETOT(band)= 0.000057 trlgG= -0.008835 logG= -0.007445 TDE= -0.067221 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002448 tlogG= -0.001852 logG= -0.004300 Density= 0.036973 ETOT(band)= 0.002620 trlgG= -0.002474 logG= -0.004300 TDE= -0.033647 logGD-logG0= -0.009370 tlogG= -0.008766 logG= -0.018136 Density= 0.139537 ETOT(band)= 0.003784 trlgG= -0.016812 logG= -0.018136 TDE= -0.132551 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009421 tlogG= -0.007701 logG= -0.017123 Density= 0.138671 ETOT(band)= 0.002967 trlgG= -0.016558 logG= -0.017123 TDE= -0.132480 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002344 tlogG= -0.002332 logG= -0.004677 Density= 0.034906 ETOT(band)= 0.000962 trlgG= -0.004360 logG= -0.004677 TDE= -0.033173 logGD-logG0= -0.002391 tlogG= -0.001958 logG= -0.004349 Density= 0.035834 ETOT(band)= 0.001795 trlgG= -0.003224 logG= -0.004349 TDE= -0.033255 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009401 tlogG= -0.007927 logG= -0.017328 Density= 0.138938 ETOT(band)= 0.003346 trlgG= -0.016433 logG= -0.017328 TDE= -0.132406 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009483 tlogG= -0.007278 logG= -0.016762 Density= 0.141083 ETOT(band)= 0.005325 trlgG= -0.014133 logG= -0.016762 TDE= -0.132730 logGD-logG0= -0.009468 tlogG= -0.007356 logG= -0.016824 Density= 0.137648 ETOT(band)= 0.001696 trlgG= -0.017681 logG= -0.016824 TDE= -0.132920 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009715 tlogG= -0.007133 logG= -0.016848 Density= 0.145014 ETOT(band)= 0.008526 trlgG= -0.011163 logG= -0.016848 TDE= -0.133446 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004702 tlogG= -0.003997 logG= -0.008699 Density= 0.069990 ETOT(band)= 0.002190 trlgG= -0.007764 logG= -0.008699 TDE= -0.066215 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009432 tlogG= -0.008384 logG= -0.017816 Density= 0.140971 ETOT(band)= 0.005145 trlgG= -0.015269 logG= -0.017816 TDE= -0.132704 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009639 tlogG= -0.005273 logG= -0.014911 Density= 0.133896 ETOT(band)= -0.001779 trlgG= -0.019498 logG= -0.014911 TDE= -0.133049 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009473 tlogG= -0.006835 logG= -0.016308 Density= 0.139422 ETOT(band)= 0.003983 trlgG= -0.014935 logG= -0.016308 TDE= -0.132392 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009524 tlogG= -0.006304 logG= -0.015827 Density= 0.137436 ETOT(band)= 0.001679 trlgG= -0.016986 logG= -0.015827 TDE= -0.133018 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004795 tlogG= -0.002799 logG= -0.007594 Density= 0.068404 ETOT(band)= 0.000781 trlgG= -0.008207 logG= -0.007594 TDE= -0.066242 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019181 tlogG= -0.013139 logG= -0.032320 logGD-logG0= -0.009368 tlogG= -0.008996 logG= -0.018364 Density= 0.139729 ETOT(band)= 0.003973 trlgG= -0.016919 logG= -0.018364 TDE= -0.132614 Density= 0.284840 ETOT(band)= 0.012840 trlgG= -0.025234 logG= -0.032320 TDE= -0.266196 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009841 tlogG= -0.006660 logG= -0.016501 Density= 0.145868 ETOT(band)= 0.008960 trlgG= -0.010693 logG= -0.016501 TDE= -0.134141 logGD-logG0= -0.018846 tlogG= -0.015664 logG= -0.034510 Density= 0.280605 ETOT(band)= 0.009269 trlgG= -0.030302 logG= -0.034510 TDE= -0.265011 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009527 tlogG= -0.007480 logG= -0.017007 Density= 0.142583 ETOT(band)= 0.006636 trlgG= -0.013069 logG= -0.017007 TDE= -0.132858 logGD-logG0= -0.009665 tlogG= -0.004969 logG= -0.014634 Density= 0.130862 ETOT(band)= -0.004599 trlgG= -0.021969 logG= -0.014634 TDE= -0.132887 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018958 tlogG= -0.013878 logG= -0.032836 Density= 0.277708 ETOT(band)= 0.006367 trlgG= -0.031599 logG= -0.032836 TDE= -0.265203 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009696 tlogG= -0.005645 logG= -0.015341 Density= 0.141421 ETOT(band)= 0.005361 trlgG= -0.013020 logG= -0.015341 TDE= -0.133362 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019126 tlogG= -0.011599 logG= -0.030725 Density= 0.276894 ETOT(band)= 0.005821 trlgG= -0.030602 logG= -0.030725 TDE= -0.265536 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009507 tlogG= -0.006619 logG= -0.016126 Density= 0.140880 ETOT(band)= 0.005371 trlgG= -0.013559 logG= -0.016126 TDE= -0.132596 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003143 tlogG= 0.069839 logG= 0.066696 Density= 0.046315 ETOT(band)= 0.001087 trlgG= 0.066972 logG= 0.066696 TDE= -0.044159 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003124 tlogG= 0.069440 logG= 0.066316 Density= 0.046244 ETOT(band)= 0.000987 trlgG= 0.066477 logG= 0.066316 TDE= -0.044207 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003114 tlogG= 0.069156 logG= 0.066043 Density= 0.045888 ETOT(band)= 0.000661 trlgG= 0.065851 logG= 0.066043 TDE= -0.044218 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002336 tlogG= 0.051886 logG= 0.049551 Density= 0.034480 ETOT(band)= 0.000547 trlgG= 0.049465 logG= 0.049551 TDE= -0.033166 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009366 tlogG= 0.208339 logG= 0.198973 Density= 0.138698 ETOT(band)= 0.002989 trlgG= 0.199400 logG= 0.198973 TDE= -0.132643 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009402 tlogG= 0.209039 logG= 0.199637 Density= 0.139204 ETOT(band)= 0.003520 trlgG= 0.200629 logG= 0.199637 TDE= -0.132563 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004675 tlogG= 0.103987 logG= 0.099311 Density= 0.069205 ETOT(band)= 0.001328 trlgG= 0.099384 logG= 0.099311 TDE= -0.066324 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.52709035806125 eV TrLogG= -13.9056313226929 eV Ratio to renormalize= 0.999999999876 rho-rho_expected= 0.000000001990 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 40) Finished k-point number 41 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 93) Finished k-point number 94 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 101) Finished k-point number 102 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 55) Finished k-point number 56 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 72) Finished k-point number 73 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 99) Finished k-point number 100 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 78) Finished k-point number 79 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 102) Finished k-point number 103 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931359410628662 0.927965914275383 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 41) Finished k-point number 42 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 24) Finished k-point number 25 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 97) Finished k-point number 98 1 with #bands= 20 17) Finished k-point number 18 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 52) Finished k-point number 53 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 62) Finished k-point number 63 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 98) Finished k-point number 99 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 91) Finished k-point number 92 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0536103472633 Density= 15.9984499906863 16.0000000000000 EF 13.3257241793769 Density= 16.5042633199965 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97942275 0.95942275 0.504263 -0.155001E-02 1 0.96942275 0.95942277 0.260729 -0.155001E-02 2 0.96442276 0.95942300 0.132665 -0.155001E-02 3 0.96192288 0.95942264 0.665140E-01 -0.155001E-02 4 0.96067276 0.95942282 0.327460E-01 -0.155001E-02 5 0.96004779 0.95942297 0.156687E-01 -0.155001E-02 6 0.95973538 0.95942266 0.708021E-02 -0.155001E-02 7 0.95957902 0.95942305 0.276834E-02 -0.155001E-02 8 0.95950104 0.95942262 0.614489E-03 -0.155001E-02 9 0.95947873 0.95950104 -0.190265E-05 0.614489E-03 10 0.95947880 0.95947873 0.284530E-09 -0.190265E-05 11 0.95947880 0.95947880 -0.247969E-08 0.284530E-09 12 0.95947880 0.95947880 -0.247969E-08 0.284530E-09 Absolute convergence of the X interval. Difference in EF= 0.0007626376 EF set to : 13.0543729848 new EF (no-mixing): 13.0543729848 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001214 tlogG= -0.001238 logG= -0.002453 Density= 0.018972 ETOT(band)= 0.001230 trlgG= -0.001631 logG= -0.002453 TDE= -0.017381 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009690 tlogG= -0.009447 logG= -0.019137 Density= 0.151663 ETOT(band)= 0.010083 trlgG= -0.012322 logG= -0.019137 TDE= -0.138702 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002421 tlogG= -0.002383 logG= -0.004803 Density= 0.037889 ETOT(band)= 0.002549 trlgG= -0.003074 logG= -0.004803 TDE= -0.034625 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004841 tlogG= -0.004576 logG= -0.009417 Density= 0.075803 ETOT(band)= 0.005118 trlgG= -0.005934 logG= -0.009417 TDE= -0.069248 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002426 tlogG= -0.002059 logG= -0.004485 Density= 0.037405 ETOT(band)= 0.002548 trlgG= -0.002801 logG= -0.004485 TDE= -0.034204 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009721 tlogG= -0.008588 logG= -0.018309 Density= 0.150661 ETOT(band)= 0.010477 trlgG= -0.011231 logG= -0.018309 TDE= -0.137478 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009717 tlogG= -0.007983 logG= -0.017700 Density= 0.150439 ETOT(band)= 0.010375 trlgG= -0.010705 logG= -0.017700 TDE= -0.137348 logGD-logG0= -0.004861 tlogG= -0.004154 logG= -0.009015 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.075434 ETOT(band)= 0.005124 trlgG= -0.005589 logG= -0.009015 TDE= -0.068952 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001584 tlogG= -0.001308 logG= -0.002892 Density= 0.022788 ETOT(band)= -0.000155 trlgG= -0.003497 logG= -0.002892 TDE= -0.022470 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009741 tlogG= -0.006613 logG= -0.016354 Density= 0.143870 ETOT(band)= 0.005000 trlgG= -0.014570 logG= -0.016354 TDE= -0.136255 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009731 tlogG= -0.008721 logG= -0.018452 Density= 0.151143 ETOT(band)= 0.010504 trlgG= -0.011307 logG= -0.018452 TDE= -0.137874 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009693 tlogG= -0.007725 logG= -0.017417 Density= 0.149777 ETOT(band)= 0.010762 trlgG= -0.009999 logG= -0.017417 TDE= -0.136290 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019432 tlogG= -0.015741 logG= -0.035174 Density= 0.301033 ETOT(band)= 0.020674 trlgG= -0.021264 logG= -0.035174 TDE= -0.274925 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019413 tlogG= -0.014626 logG= -0.034039 Density= 0.298959 ETOT(band)= 0.020675 trlgG= -0.019928 logG= -0.034039 TDE= -0.272734 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009733 tlogG= -0.006564 logG= -0.016297 Density= 0.147172 ETOT(band)= 0.008350 trlgG= -0.011223 logG= -0.016297 TDE= -0.136135 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003161 tlogG= -0.002510 logG= -0.005670 Density= 0.045395 ETOT(band)= -0.000316 trlgG= -0.006928 logG= -0.005670 TDE= -0.044813 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003115 tlogG= -0.002585 logG= -0.005700 Density= 0.045910 ETOT(band)= 0.000610 trlgG= -0.005880 logG= -0.005700 TDE= -0.044229 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003143 tlogG= -0.002535 logG= -0.005678 Density= 0.045634 ETOT(band)= 0.000099 trlgG= -0.006447 logG= -0.005678 TDE= -0.044554 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009494 tlogG= -0.007403 logG= -0.016896 Density= 0.136806 ETOT(band)= -0.000616 trlgG= -0.020369 logG= -0.016896 TDE= -0.134735 logGD-logG0= -0.009487 tlogG= -0.007317 logG= -0.016803 Density= 0.136671 ETOT(band)= -0.000565 trlgG= -0.020241 logG= -0.016803 TDE= -0.134570 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009471 tlogG= -0.007243 logG= -0.016714 Density= 0.136716 ETOT(band)= -0.000175 trlgG= -0.019730 logG= -0.016714 TDE= -0.134192 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009502 tlogG= -0.006606 logG= -0.016108 Density= 0.137933 ETOT(band)= 0.000774 trlgG= -0.018305 logG= -0.016108 TDE= -0.134540 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009736 tlogG= -0.007488 logG= -0.017224 Density= 0.148833 ETOT(band)= 0.010644 trlgG= -0.009905 logG= -0.017224 TDE= -0.135483 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009798 tlogG= -0.007075 logG= -0.016873 Density= 0.147539 ETOT(band)= 0.009078 trlgG= -0.011101 logG= -0.016873 TDE= -0.135788 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009763 tlogG= -0.006460 logG= -0.016223 Density= 0.142569 ETOT(band)= 0.004397 trlgG= -0.014924 logG= -0.016223 TDE= -0.135492 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004797 tlogG= -0.003070 logG= -0.007868 Density= 0.067564 ETOT(band)= -0.001256 trlgG= -0.010561 logG= -0.007868 TDE= -0.067519 logGD-logG0= -0.009510 tlogG= -0.006573 logG= -0.016083 Density= 0.137875 ETOT(band)= 0.000797 trlgG= -0.018291 logG= -0.016083 TDE= -0.134496 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009595 tlogG= -0.006307 logG= -0.015901 Density= 0.140302 ETOT(band)= 0.003400 trlgG= -0.015346 logG= -0.015901 TDE= -0.134062 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009556 tlogG= -0.005888 logG= -0.015444 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138073 ETOT(band)= 0.001030 trlgG= -0.017377 logG= -0.015444 TDE= -0.134412 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009415 tlogG= -0.007309 logG= -0.016724 Density= 0.137401 ETOT(band)= 0.001143 trlgG= -0.018175 logG= -0.016724 TDE= -0.133284 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009475 tlogG= -0.006475 logG= -0.015950 Density= 0.137689 ETOT(band)= 0.001025 trlgG= -0.017839 logG= -0.015950 TDE= -0.133998 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004811 tlogG= -0.002548 logG= -0.007359 Density= 0.065442 ETOT(band)= -0.002613 trlgG= -0.011268 logG= -0.007359 TDE= -0.066699 logGD-logG0= -0.009662 tlogG= -0.006522 logG= -0.016185 Density= 0.143582 ETOT(band)= 0.006865 trlgG= -0.012254 logG= -0.016185 TDE= -0.133834 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009538 tlogG= -0.005568 logG= -0.015106 Density= 0.136808 ETOT(band)= 0.000300 trlgG= -0.017764 logG= -0.015106 TDE= -0.133922 logGD-logG0= -0.009495 tlogG= -0.006803 logG= -0.016298 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137545 ETOT(band)= 0.000320 trlgG= -0.018964 logG= -0.016298 TDE= -0.134637 logGD-logG0= -0.009497 tlogG= -0.006790 logG= -0.016287 Density= 0.138520 ETOT(band)= 0.001734 trlgG= -0.017305 logG= -0.016287 TDE= -0.133925 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019580 tlogG= -0.012665 logG= -0.032245 Density= 0.285269 ETOT(band)= 0.008415 trlgG= -0.030133 logG= -0.032245 TDE= -0.271598 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019192 tlogG= -0.010744 logG= -0.029937 Density= 0.271286 ETOT(band)= -0.002187 trlgG= -0.037974 logG= -0.029937 TDE= -0.268330 logGD-logG0= -0.019082 tlogG= -0.011861 logG= -0.030943 Density= 0.277943 ETOT(band)= 0.004069 trlgG= -0.032896 logG= -0.030943 TDE= -0.268633 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009813 tlogG= -0.006464 logG= -0.016277 Density= 0.143162 ETOT(band)= 0.004448 trlgG= -0.015029 logG= -0.016277 TDE= -0.136112 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009450 tlogG= -0.007275 logG= -0.016725 Density= 0.136953 ETOT(band)= 0.000238 trlgG= -0.019242 logG= -0.016725 TDE= -0.133921 logGD-logG0= -0.018979 tlogG= -0.013604 logG= -0.032582 Density= 0.275259 ETOT(band)= 0.001266 trlgG= -0.037155 logG= -0.032582 TDE= -0.268678 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019335 tlogG= -0.011961 logG= -0.031296 Density= 0.281449 ETOT(band)= 0.006908 trlgG= -0.030431 logG= -0.031296 TDE= -0.269179 logGD-logG0= -0.019102 tlogG= -0.012011 logG= -0.031114 logGD-logG0= -0.019629 tlogG= -0.012645 logG= -0.032274 Density= 0.278310 ETOT(band)= 0.004139 trlgG= -0.033042 logG= -0.031114 TDE= -0.268961 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.289721 ETOT(band)= 0.015017 trlgG= -0.023431 logG= -0.032274 TDE= -0.269138 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019288 tlogG= -0.010077 logG= -0.029365 Density= 0.264253 ETOT(band)= -0.008118 trlgG= -0.043034 logG= -0.029365 TDE= -0.267215 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004892 tlogG= -0.003539 logG= -0.008431 Density= 0.074711 ETOT(band)= 0.004971 trlgG= -0.005112 logG= -0.008431 TDE= -0.068365 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009613 tlogG= -0.005407 logG= -0.015020 Density= 0.133026 ETOT(band)= -0.003772 trlgG= -0.021556 logG= -0.015020 TDE= -0.134171 logGD-logG0= -0.019014 tlogG= -0.012246 logG= -0.031261 Density= 0.278926 ETOT(band)= 0.006493 trlgG= -0.030422 logG= -0.031261 TDE= -0.266786 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019299 tlogG= -0.010359 logG= -0.029658 logGD-logG0= -0.009678 tlogG= -0.004831 logG= -0.014509 Density= 0.278080 ETOT(band)= 0.004645 trlgG= -0.030921 logG= -0.029658 TDE= -0.268075 Density= 0.131048 ETOT(band)= -0.005122 trlgG= -0.022379 logG= -0.014509 TDE= -0.133607 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009444 tlogG= -0.006767 logG= -0.016211 Density= 0.139079 ETOT(band)= 0.003015 trlgG= -0.015829 logG= -0.016211 TDE= -0.133062 logGD-logG0= -0.018910 tlogG= -0.013652 logG= -0.032562 Density= 0.275927 ETOT(band)= 0.003094 trlgG= -0.034914 logG= -0.032562 TDE= -0.267097 logGD-logG0= -0.019011 tlogG= -0.011534 logG= -0.030545 Density= 0.276470 ETOT(band)= 0.003917 trlgG= -0.032456 logG= -0.030545 TDE= -0.267178 logGD-logG0= -0.019231 tlogG= -0.011577 logG= -0.030807 Density= 0.269998 ETOT(band)= -0.004652 trlgG= -0.041243 logG= -0.030807 TDE= -0.269494 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000389 tlogG= 0.008629 logG= 0.008240 Density= 0.005721 ETOT(band)= 0.000067 trlgG= 0.008202 logG= 0.008240 TDE= -0.005527 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019440 tlogG= -0.011808 logG= -0.031248 Density= 0.280254 ETOT(band)= 0.004449 trlgG= -0.032934 logG= -0.031248 TDE= -0.270585 logGD-logG0= -0.019236 tlogG= -0.010438 logG= -0.029673 Density= 0.274642 ETOT(band)= 0.002199 trlgG= -0.033281 logG= -0.029673 TDE= -0.267121 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009833 tlogG= -0.005918 logG= -0.015751 Density= 0.143998 ETOT(band)= 0.006427 trlgG= -0.012401 logG= -0.015751 TDE= -0.134812 logGD-logG0= -0.019278 tlogG= -0.010503 logG= -0.029780 Density= 0.272187 ETOT(band)= -0.001894 trlgG= -0.037367 logG= -0.029780 TDE= -0.268745 logGD-logG0= -0.019379 tlogG= -0.011043 logG= -0.030421 Density= 0.278041 ETOT(band)= 0.003627 trlgG= -0.032748 logG= -0.030421 TDE= -0.269101 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019329 tlogG= -0.009982 logG= -0.029311 logGD-logG0= -0.009674 tlogG= -0.005151 logG= -0.014825 Density= 0.139969 ETOT(band)= 0.002953 trlgG= -0.014884 logG= -0.014825 TDE= -0.134356 Density= 0.267108 ETOT(band)= -0.006141 trlgG= -0.041051 logG= -0.029311 TDE= -0.268025 logGD-logG0= -0.009586 tlogG= -0.005577 logG= -0.015164 Density= 0.133695 ETOT(band)= -0.003150 trlgG= -0.021137 logG= -0.015164 TDE= -0.134251 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009572 tlogG= -0.006088 logG= -0.015660 Density= 0.138666 ETOT(band)= 0.001591 trlgG= -0.016957 logG= -0.015660 TDE= -0.134344 logGD-logG0= -0.009615 tlogG= -0.005086 logG= -0.014701 Density= 0.136388 ETOT(band)= -0.000473 trlgG= -0.017883 logG= -0.014701 TDE= -0.134044 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009624 tlogG= -0.005440 logG= -0.015064 Density= 0.135817 ETOT(band)= -0.001331 trlgG= -0.019132 logG= -0.015064 TDE= -0.134382 logGD-logG0= -0.009634 tlogG= -0.005222 logG= -0.014856 Density= 0.136839 ETOT(band)= -0.000147 trlgG= -0.017803 logG= -0.014856 TDE= -0.134241 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004815 tlogG= -0.002630 logG= -0.007445 Density= 0.068614 ETOT(band)= 0.000060 trlgG= -0.008832 logG= -0.007445 TDE= -0.067221 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009602 tlogG= -0.005966 logG= -0.015568 Density= 0.135798 ETOT(band)= -0.001508 trlgG= -0.019964 logG= -0.015568 TDE= -0.134691 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019208 tlogG= -0.011356 logG= -0.030564 Density= 0.275318 ETOT(band)= 0.001169 trlgG= -0.035220 logG= -0.030564 TDE= -0.268818 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019083 tlogG= -0.012159 logG= -0.031242 Density= 0.278104 ETOT(band)= 0.004522 trlgG= -0.032583 logG= -0.031242 TDE= -0.268177 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002448 tlogG= -0.001852 logG= -0.004300 Density= 0.036972 ETOT(band)= 0.002621 trlgG= -0.002473 logG= -0.004300 TDE= -0.033647 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009370 tlogG= -0.008766 logG= -0.018136 Density= 0.139535 ETOT(band)= 0.003790 trlgG= -0.016807 logG= -0.018136 TDE= -0.132552 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002344 tlogG= -0.002332 logG= -0.004676 Density= 0.034906 ETOT(band)= 0.000963 trlgG= -0.004359 logG= -0.004676 TDE= -0.033173 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009421 tlogG= -0.007701 logG= -0.017121 logGD-logG0= -0.002391 tlogG= -0.001958 logG= -0.004349 Density= 0.035834 ETOT(band)= 0.001797 trlgG= -0.003222 logG= -0.004349 TDE= -0.033255 Density= 0.138670 ETOT(band)= 0.002973 trlgG= -0.016552 logG= -0.017121 TDE= -0.132481 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009432 tlogG= -0.008383 logG= -0.017816 Density= 0.140972 ETOT(band)= 0.005153 trlgG= -0.015262 logG= -0.017816 TDE= -0.132706 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009402 tlogG= -0.007929 logG= -0.017331 Density= 0.138936 ETOT(band)= 0.003353 trlgG= -0.016432 logG= -0.017331 TDE= -0.132407 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004702 tlogG= -0.003997 logG= -0.008699 Density= 0.069991 ETOT(band)= 0.002195 trlgG= -0.007760 logG= -0.008699 TDE= -0.066216 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009468 tlogG= -0.007355 logG= -0.016822 Density= 0.137646 ETOT(band)= 0.001701 trlgG= -0.017675 logG= -0.016822 TDE= -0.132921 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018847 tlogG= -0.015664 logG= -0.034511 Density= 0.280605 ETOT(band)= 0.009283 trlgG= -0.030290 logG= -0.034511 TDE= -0.265013 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009483 tlogG= -0.007278 logG= -0.016761 Density= 0.141083 ETOT(band)= 0.005332 trlgG= -0.014126 logG= -0.016761 TDE= -0.132731 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009640 tlogG= -0.005275 logG= -0.014915 Density= 0.133900 ETOT(band)= -0.001767 trlgG= -0.019491 logG= -0.014915 TDE= -0.133051 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004795 tlogG= -0.002799 logG= -0.007594 Density= 0.068406 ETOT(band)= 0.000787 trlgG= -0.008202 logG= -0.007594 TDE= -0.066242 logGD-logG0= -0.009527 tlogG= -0.007480 logG= -0.017007 Density= 0.142584 ETOT(band)= 0.006644 trlgG= -0.013061 logG= -0.017007 TDE= -0.132860 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009368 tlogG= -0.008996 logG= -0.018364 Density= 0.139728 ETOT(band)= 0.003979 trlgG= -0.016913 logG= -0.018364 TDE= -0.132615 logGD-logG0= -0.009665 tlogG= -0.004968 logG= -0.014633 Density= 0.130871 ETOT(band)= -0.004584 trlgG= -0.021952 logG= -0.014633 TDE= -0.132888 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019182 tlogG= -0.013139 logG= -0.032321 Density= 0.284844 ETOT(band)= 0.012859 trlgG= -0.025218 logG= -0.032321 TDE= -0.266199 logGD-logG0= -0.009696 tlogG= -0.005645 logG= -0.015341 Density= 0.141425 ETOT(band)= 0.005372 trlgG= -0.013010 logG= -0.015341 TDE= -0.133364 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018957 tlogG= -0.013880 logG= -0.032837 Density= 0.277705 ETOT(band)= 0.006378 trlgG= -0.031590 logG= -0.032837 TDE= -0.265205 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009841 tlogG= -0.006660 logG= -0.016501 Density= 0.145867 ETOT(band)= 0.008967 trlgG= -0.010687 logG= -0.016501 TDE= -0.134142 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009525 tlogG= -0.006302 logG= -0.015827 Density= 0.137434 ETOT(band)= 0.001686 trlgG= -0.016980 logG= -0.015827 TDE= -0.133019 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019125 tlogG= -0.011597 logG= -0.030721 Density= 0.276890 ETOT(band)= 0.005830 trlgG= -0.030589 logG= -0.030721 TDE= -0.265538 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009508 tlogG= -0.006620 logG= -0.016129 Density= 0.140882 ETOT(band)= 0.005381 trlgG= -0.013553 logG= -0.016129 TDE= -0.132598 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009474 tlogG= -0.006837 logG= -0.016311 Density= 0.139423 ETOT(band)= 0.003992 trlgG= -0.014931 logG= -0.016311 TDE= -0.132394 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009715 tlogG= -0.007133 logG= -0.016848 Density= 0.145015 ETOT(band)= 0.008534 trlgG= -0.011156 logG= -0.016848 TDE= -0.133447 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003114 tlogG= 0.069161 logG= 0.066047 Density= 0.045887 ETOT(band)= 0.000663 trlgG= 0.065857 logG= 0.066047 TDE= -0.044218 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003143 tlogG= 0.069843 logG= 0.066700 Density= 0.046314 ETOT(band)= 0.001090 trlgG= 0.066978 logG= 0.066700 TDE= -0.044160 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003124 tlogG= 0.069444 logG= 0.066321 Density= 0.046243 ETOT(band)= 0.000989 trlgG= 0.066483 logG= 0.066321 TDE= -0.044207 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002336 tlogG= 0.051890 logG= 0.049554 Density= 0.034479 ETOT(band)= 0.000548 trlgG= 0.049469 logG= 0.049554 TDE= -0.033167 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009366 tlogG= 0.208352 logG= 0.198986 Density= 0.138696 ETOT(band)= 0.002995 trlgG= 0.199417 logG= 0.198986 TDE= -0.132644 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009401 tlogG= 0.209055 logG= 0.199654 Density= 0.139203 ETOT(band)= 0.003525 trlgG= 0.200652 logG= 0.199654 TDE= -0.132565 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004675 tlogG= 0.103994 logG= 0.099319 Density= 0.069204 ETOT(band)= 0.001331 trlgG= 0.099394 logG= 0.099319 TDE= -0.066325 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.53822723515762 eV TrLogG= -13.8949606231003 eV Ratio to renormalize= 0.999999999874 rho-rho_expected= 0.000000002021 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 30) Finished k-point number 31 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 28) Finished k-point number 29 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 38) Finished k-point number 39 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 56) Finished k-point number 57 1 with #bands= 18 61) Finished k-point number 62 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 62) Finished k-point number 63 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 90) Finished k-point number 91 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 93) Finished k-point number 94 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931372668573781 0.928020568387033 26) Finished k-point number 27 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 29) Finished k-point number 30 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 19) Finished k-point number 20 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 52) Finished k-point number 53 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 62) Finished k-point number 63 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0543729848198 Density= 16.0023184884770 16.0000000000000 EF 12.7822591527063 Density= 15.3643073770837 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95947880 0.93947880 0.231849E-02 -0.635693 1 0.95940612 0.93947880 0.311933E-03 -0.635693 2 0.95939483 0.95940612 -0.226883E-07 0.311933E-03 3 0.95939483 0.95939483 0.171951E-11 -0.226883E-07 Absolute convergence of |F(X)|. Difference in EF= -0.0011424789 EF set to : 13.0532305059 new EF (no-mixing): 13.0532305059 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001214 tlogG= -0.001238 logG= -0.002453 Density= 0.018973 ETOT(band)= 0.001229 trlgG= -0.001631 logG= -0.002453 TDE= -0.017381 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009689 tlogG= -0.009446 logG= -0.019136 Density= 0.151670 ETOT(band)= 0.010079 trlgG= -0.012323 logG= -0.019136 TDE= -0.138699 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002421 tlogG= -0.002383 logG= -0.004803 Density= 0.037891 ETOT(band)= 0.002548 trlgG= -0.003075 logG= -0.004803 TDE= -0.034624 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004841 tlogG= -0.004576 logG= -0.009417 Density= 0.075806 ETOT(band)= 0.005117 trlgG= -0.005934 logG= -0.009417 TDE= -0.069246 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002426 tlogG= -0.002059 logG= -0.004485 Density= 0.037407 ETOT(band)= 0.002548 trlgG= -0.002800 logG= -0.004485 TDE= -0.034204 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001584 tlogG= -0.001307 logG= -0.002891 Density= 0.022789 ETOT(band)= -0.000156 trlgG= -0.003497 logG= -0.002891 TDE= -0.022470 logGD-logG0= -0.009721 tlogG= -0.008588 logG= -0.018309 Density= 0.150670 ETOT(band)= 0.010475 trlgG= -0.011231 logG= -0.018309 TDE= -0.137474 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004861 tlogG= -0.004155 logG= -0.009015 Density= 0.075440 ETOT(band)= 0.005124 trlgG= -0.005589 logG= -0.009015 TDE= -0.068950 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009717 tlogG= -0.007982 logG= -0.017699 Density= 0.150446 ETOT(band)= 0.010371 trlgG= -0.010707 logG= -0.017699 TDE= -0.137345 logGD-logG0= -0.009741 tlogG= -0.006615 logG= -0.016355 Density= 0.143857 ETOT(band)= 0.004978 trlgG= -0.014592 logG= -0.016355 TDE= -0.136252 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009731 tlogG= -0.008721 logG= -0.018451 Density= 0.151152 ETOT(band)= 0.010501 trlgG= -0.011308 logG= -0.018451 TDE= -0.137870 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019432 tlogG= -0.015742 logG= -0.035174 Density= 0.301051 ETOT(band)= 0.020670 trlgG= -0.021266 logG= -0.035174 TDE= -0.274919 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009693 tlogG= -0.007724 logG= -0.017417 Density= 0.149787 ETOT(band)= 0.010761 trlgG= -0.009999 logG= -0.017417 TDE= -0.136286 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019412 tlogG= -0.014625 logG= -0.034037 Density= 0.298974 ETOT(band)= 0.020669 trlgG= -0.019931 logG= -0.034037 TDE= -0.272728 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009733 tlogG= -0.006564 logG= -0.016297 Density= 0.147177 ETOT(band)= 0.008344 trlgG= -0.011228 logG= -0.016297 TDE= -0.136132 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003161 tlogG= -0.002510 logG= -0.005671 Density= 0.045397 ETOT(band)= -0.000318 trlgG= -0.006930 logG= -0.005671 TDE= -0.044812 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003115 tlogG= -0.002587 logG= -0.005702 Density= 0.045911 ETOT(band)= 0.000607 trlgG= -0.005884 logG= -0.005702 TDE= -0.044229 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009493 tlogG= -0.007403 logG= -0.016897 Density= 0.136810 ETOT(band)= -0.000623 trlgG= -0.020375 logG= -0.016897 TDE= -0.134733 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003143 tlogG= -0.002536 logG= -0.005679 Density= 0.045636 ETOT(band)= 0.000096 trlgG= -0.006450 logG= -0.005679 TDE= -0.044554 logGD-logG0= -0.009486 tlogG= -0.007317 logG= -0.016803 Density= 0.136676 ETOT(band)= -0.000572 trlgG= -0.020245 logG= -0.016803 TDE= -0.134569 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009471 tlogG= -0.007245 logG= -0.016716 Density= 0.136721 ETOT(band)= -0.000182 trlgG= -0.019737 logG= -0.016716 TDE= -0.134190 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009736 tlogG= -0.007487 logG= -0.017223 Density= 0.148842 ETOT(band)= 0.010642 trlgG= -0.009905 logG= -0.017223 TDE= -0.135480 logGD-logG0= -0.009502 tlogG= -0.006607 logG= -0.016108 Density= 0.137934 ETOT(band)= 0.000765 trlgG= -0.018313 logG= -0.016108 TDE= -0.134538 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009797 tlogG= -0.007073 logG= -0.016871 Density= 0.147537 ETOT(band)= 0.009066 trlgG= -0.011109 logG= -0.016871 TDE= -0.135785 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009762 tlogG= -0.006460 logG= -0.016222 Density= 0.142561 ETOT(band)= 0.004379 trlgG= -0.014939 logG= -0.016222 TDE= -0.135490 logGD-logG0= -0.009474 tlogG= -0.006475 logG= -0.015950 Density= 0.137692 ETOT(band)= 0.001017 trlgG= -0.017845 logG= -0.015950 TDE= -0.133996 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009595 tlogG= -0.006310 logG= -0.015904 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.140299 ETOT(band)= 0.003386 trlgG= -0.015361 logG= -0.015904 TDE= -0.134059 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009556 tlogG= -0.005888 logG= -0.015444 Density= 0.138073 ETOT(band)= 0.001019 trlgG= -0.017387 logG= -0.015444 TDE= -0.134410 logGD-logG0= -0.009450 tlogG= -0.007272 logG= -0.016722 Density= 0.136956 ETOT(band)= 0.000230 trlgG= -0.019246 logG= -0.016722 TDE= -0.133919 logGD-logG0= -0.009415 tlogG= -0.007310 logG= -0.016725 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137404 ETOT(band)= 0.001135 trlgG= -0.018182 logG= -0.016725 TDE= -0.133283 logGD-logG0= -0.004798 tlogG= -0.003071 logG= -0.007869 Density= 0.067569 ETOT(band)= -0.001256 trlgG= -0.010561 logG= -0.007869 TDE= -0.067518 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009510 tlogG= -0.006573 logG= -0.016083 Density= 0.137877 ETOT(band)= 0.000789 trlgG= -0.018298 logG= -0.016083 TDE= -0.134494 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004811 tlogG= -0.002548 logG= -0.007359 Density= 0.065429 ETOT(band)= -0.002631 trlgG= -0.011284 logG= -0.007359 TDE= -0.066698 logGD-logG0= -0.009662 tlogG= -0.006524 logG= -0.016186 Density= 0.143578 ETOT(band)= 0.006850 trlgG= -0.012269 logG= -0.016186 TDE= -0.133831 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009497 tlogG= -0.006788 logG= -0.016285 Density= 0.138522 ETOT(band)= 0.001725 trlgG= -0.017311 logG= -0.016285 TDE= -0.133923 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009586 tlogG= -0.005577 logG= -0.015163 Density= 0.133703 ETOT(band)= -0.003153 trlgG= -0.021138 logG= -0.015163 TDE= -0.134249 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009538 tlogG= -0.005567 logG= -0.015105 logGD-logG0= -0.009443 tlogG= -0.006767 logG= -0.016210 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.139081 ETOT(band)= 0.003005 trlgG= -0.015837 logG= -0.016210 TDE= -0.133060 Density= 0.136808 ETOT(band)= 0.000289 trlgG= -0.017772 logG= -0.015105 TDE= -0.133920 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009572 tlogG= -0.006088 logG= -0.015660 Density= 0.138665 ETOT(band)= 0.001580 trlgG= -0.016966 logG= -0.015660 TDE= -0.134342 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009602 tlogG= -0.005967 logG= -0.015569 Density= 0.135800 ETOT(band)= -0.001516 trlgG= -0.019972 logG= -0.015569 TDE= -0.134689 logGD-logG0= -0.009493 tlogG= -0.006801 logG= -0.016294 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137547 ETOT(band)= 0.000310 trlgG= -0.018967 logG= -0.016294 TDE= -0.134635 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019103 tlogG= -0.012014 logG= -0.031116 Density= 0.278310 ETOT(band)= 0.004118 trlgG= -0.033064 logG= -0.031116 TDE= -0.268956 logGD-logG0= -0.019579 tlogG= -0.012664 logG= -0.032244 Density= 0.285253 ETOT(band)= 0.008380 trlgG= -0.030165 logG= -0.032244 TDE= -0.271592 logGD-logG0= -0.019191 tlogG= -0.010746 logG= -0.029937 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.271280 ETOT(band)= -0.002215 trlgG= -0.037998 logG= -0.029937 TDE= -0.268326 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009813 tlogG= -0.006464 logG= -0.016277 Density= 0.143153 ETOT(band)= 0.004429 trlgG= -0.015046 logG= -0.016277 TDE= -0.136110 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019335 tlogG= -0.011962 logG= -0.031297 Density= 0.281438 ETOT(band)= 0.006877 trlgG= -0.030461 logG= -0.031297 TDE= -0.269174 logGD-logG0= -0.018981 tlogG= -0.013609 logG= -0.032589 Density= 0.275265 ETOT(band)= 0.001252 trlgG= -0.037176 logG= -0.032589 TDE= -0.268674 logGD-logG0= -0.019288 tlogG= -0.010075 logG= -0.029364 Density= 0.264238 ETOT(band)= -0.008152 trlgG= -0.043065 logG= -0.029364 TDE= -0.267211 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019084 tlogG= -0.011864 logG= -0.030948 Density= 0.277946 ETOT(band)= 0.004051 trlgG= -0.032917 logG= -0.030948 TDE= -0.268629 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019083 tlogG= -0.012163 logG= -0.031246 logGD-logG0= -0.019207 tlogG= -0.011357 logG= -0.030565 Density= 0.278105 ETOT(band)= 0.004501 trlgG= -0.032605 logG= -0.031246 TDE= -0.268172 Density= 0.275312 ETOT(band)= 0.001142 trlgG= -0.035245 logG= -0.030565 TDE= -0.268813 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019011 tlogG= -0.011536 logG= -0.030547 logGD-logG0= -0.000389 tlogG= 0.008628 logG= 0.008240 Density= 0.005721 ETOT(band)= 0.000067 trlgG= 0.008201 logG= 0.008240 TDE= -0.005527 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.276472 ETOT(band)= 0.003897 trlgG= -0.032475 logG= -0.030547 TDE= -0.267174 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019298 tlogG= -0.010360 logG= -0.029658 logGD-logG0= -0.019628 tlogG= -0.012644 logG= -0.032272 Density= 0.278060 ETOT(band)= 0.004604 trlgG= -0.030958 logG= -0.029658 TDE= -0.268070 Density= 0.289722 ETOT(band)= 0.014996 trlgG= -0.023447 logG= -0.032272 TDE= -0.269132 logGD-logG0= -0.004892 tlogG= -0.003539 logG= -0.008430 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.074714 ETOT(band)= 0.004969 trlgG= -0.005113 logG= -0.008430 TDE= -0.068363 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018911 tlogG= -0.013654 logG= -0.032566 Density= 0.275931 ETOT(band)= 0.003077 trlgG= -0.034933 logG= -0.032566 TDE= -0.267094 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019014 tlogG= -0.012250 logG= -0.031265 Density= 0.278924 ETOT(band)= 0.006468 trlgG= -0.030448 logG= -0.031265 TDE= -0.266781 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009612 tlogG= -0.005405 logG= -0.015016 logGD-logG0= -0.009676 tlogG= -0.004828 logG= -0.014504 Density= 0.133042 ETOT(band)= -0.003768 trlgG= -0.021546 logG= -0.015016 TDE= -0.134169 Density= 0.131035 ETOT(band)= -0.005145 trlgG= -0.022395 logG= -0.014504 TDE= -0.133605 logGD-logG0= -0.019232 tlogG= -0.011582 logG= -0.030814 Density= 0.270013 ETOT(band)= -0.004657 trlgG= -0.041255 logG= -0.030814 TDE= -0.269490 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009674 tlogG= -0.005150 logG= -0.014824 Density= 0.139957 ETOT(band)= 0.002931 trlgG= -0.014904 logG= -0.014824 TDE= -0.134354 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009833 tlogG= -0.005918 logG= -0.015751 Density= 0.143995 ETOT(band)= 0.006414 trlgG= -0.012412 logG= -0.015751 TDE= -0.134809 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019237 tlogG= -0.010436 logG= -0.029673 Density= 0.274593 ETOT(band)= 0.002131 trlgG= -0.033346 logG= -0.029673 TDE= -0.267116 logGD-logG0= -0.019440 tlogG= -0.011809 logG= -0.031249 Density= 0.280249 ETOT(band)= 0.004423 trlgG= -0.032959 logG= -0.031249 TDE= -0.270579 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019377 tlogG= -0.011034 logG= -0.030412 Density= 0.278047 ETOT(band)= 0.003613 trlgG= -0.032751 logG= -0.030412 TDE= -0.269096 logGD-logG0= -0.019278 tlogG= -0.010505 logG= -0.029783 Density= 0.272182 ETOT(band)= -0.001920 trlgG= -0.037393 logG= -0.029783 TDE= -0.268740 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019327 tlogG= -0.009986 logG= -0.029313 Density= 0.267109 ETOT(band)= -0.006162 trlgG= -0.041070 logG= -0.029313 TDE= -0.268020 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009616 tlogG= -0.005087 logG= -0.014703 logGD-logG0= -0.009634 tlogG= -0.005222 logG= -0.014856 Density= 0.136837 ETOT(band)= -0.000159 trlgG= -0.017815 logG= -0.014856 TDE= -0.134239 Density= 0.136387 ETOT(band)= -0.000484 trlgG= -0.017896 logG= -0.014703 TDE= -0.134042 logGD-logG0= -0.004815 tlogG= -0.002630 logG= -0.007445 Density= 0.068614 ETOT(band)= 0.000055 trlgG= -0.008837 logG= -0.007445 TDE= -0.067220 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009624 tlogG= -0.005442 logG= -0.015066 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.135818 ETOT(band)= -0.001340 trlgG= -0.019143 logG= -0.015066 TDE= -0.134380 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002448 tlogG= -0.001852 logG= -0.004300 Density= 0.036973 ETOT(band)= 0.002620 trlgG= -0.002475 logG= -0.004300 TDE= -0.033647 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002344 tlogG= -0.002332 logG= -0.004677 Density= 0.034906 ETOT(band)= 0.000961 trlgG= -0.004361 logG= -0.004677 TDE= -0.033173 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009466 tlogG= -0.007353 logG= -0.016819 Density= 0.137651 ETOT(band)= 0.001694 trlgG= -0.017677 logG= -0.016819 TDE= -0.132920 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009370 tlogG= -0.008766 logG= -0.018136 Density= 0.139537 ETOT(band)= 0.003780 trlgG= -0.016815 logG= -0.018136 TDE= -0.132550 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002391 tlogG= -0.001958 logG= -0.004349 Density= 0.035834 ETOT(band)= 0.001794 trlgG= -0.003225 logG= -0.004349 TDE= -0.033255 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009421 tlogG= -0.007701 logG= -0.017121 Density= 0.138672 ETOT(band)= 0.002964 trlgG= -0.016560 logG= -0.017121 TDE= -0.132480 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009715 tlogG= -0.007132 logG= -0.016847 logGD-logG0= -0.009433 tlogG= -0.008384 logG= -0.017817 Density= 0.140971 ETOT(band)= 0.005142 trlgG= -0.015273 logG= -0.017817 TDE= -0.132704 Density= 0.145015 ETOT(band)= 0.008523 trlgG= -0.011165 logG= -0.016847 TDE= -0.133445 logGD-logG0= -0.009483 tlogG= -0.007278 logG= -0.016762 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.141082 ETOT(band)= 0.005320 trlgG= -0.014137 logG= -0.016762 TDE= -0.132729 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004702 tlogG= -0.003997 logG= -0.008700 Density= 0.069991 ETOT(band)= 0.002190 trlgG= -0.007766 logG= -0.008700 TDE= -0.066215 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009524 tlogG= -0.006302 logG= -0.015826 Density= 0.137438 ETOT(band)= 0.001678 trlgG= -0.016986 logG= -0.015826 TDE= -0.133017 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009403 tlogG= -0.007930 logG= -0.017332 Density= 0.138939 ETOT(band)= 0.003344 trlgG= -0.016441 logG= -0.017332 TDE= -0.132405 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009474 tlogG= -0.006838 logG= -0.016312 Density= 0.139425 ETOT(band)= 0.003983 trlgG= -0.014941 logG= -0.016312 TDE= -0.132392 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009639 tlogG= -0.005274 logG= -0.014913 Density= 0.133898 ETOT(band)= -0.001780 trlgG= -0.019501 logG= -0.014913 TDE= -0.133049 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004794 tlogG= -0.002800 logG= -0.007594 Density= 0.068405 ETOT(band)= 0.000781 trlgG= -0.008207 logG= -0.007594 TDE= -0.066241 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019182 tlogG= -0.013139 logG= -0.032320 Density= 0.284838 ETOT(band)= 0.012833 trlgG= -0.025242 logG= -0.032320 TDE= -0.266194 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018956 tlogG= -0.013878 logG= -0.032834 Density= 0.277708 ETOT(band)= 0.006358 trlgG= -0.031605 logG= -0.032834 TDE= -0.265202 logGD-logG0= -0.018847 tlogG= -0.015664 logG= -0.034511 Density= 0.280606 ETOT(band)= 0.009262 trlgG= -0.030309 logG= -0.034511 TDE= -0.265010 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009666 tlogG= -0.004971 logG= -0.014637 Density= 0.130862 ETOT(band)= -0.004602 trlgG= -0.021974 logG= -0.014637 TDE= -0.132886 logGD-logG0= -0.009841 tlogG= -0.006660 logG= -0.016500 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.145868 ETOT(band)= 0.008957 trlgG= -0.010695 logG= -0.016500 TDE= -0.134140 logGD-logG0= -0.009368 tlogG= -0.008996 logG= -0.018365 Density= 0.139729 ETOT(band)= 0.003969 trlgG= -0.016922 logG= -0.018365 TDE= -0.132613 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009527 tlogG= -0.007480 logG= -0.017007 Density= 0.142582 ETOT(band)= 0.006632 trlgG= -0.013072 logG= -0.017007 TDE= -0.132858 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009696 tlogG= -0.005645 logG= -0.015341 Density= 0.141419 ETOT(band)= 0.005355 trlgG= -0.013025 logG= -0.015341 TDE= -0.133361 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019124 tlogG= -0.011595 logG= -0.030719 Density= 0.276895 ETOT(band)= 0.005813 trlgG= -0.030602 logG= -0.030719 TDE= -0.265534 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009508 tlogG= -0.006617 logG= -0.016125 Density= 0.140879 ETOT(band)= 0.005367 trlgG= -0.013562 logG= -0.016125 TDE= -0.132596 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003124 tlogG= 0.069438 logG= 0.066314 Density= 0.046244 ETOT(band)= 0.000986 trlgG= 0.066474 logG= 0.066314 TDE= -0.044207 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003114 tlogG= 0.069154 logG= 0.066040 Density= 0.045889 ETOT(band)= 0.000660 trlgG= 0.065848 logG= 0.066040 TDE= -0.044217 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003143 tlogG= 0.069836 logG= 0.066694 Density= 0.046315 ETOT(band)= 0.001087 trlgG= 0.066969 logG= 0.066694 TDE= -0.044159 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002336 tlogG= 0.051885 logG= 0.049549 Density= 0.034480 ETOT(band)= 0.000546 trlgG= 0.049463 logG= 0.049549 TDE= -0.033166 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009366 tlogG= 0.208332 logG= 0.198966 Density= 0.138698 ETOT(band)= 0.002986 trlgG= 0.199390 logG= 0.198966 TDE= -0.132643 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004675 tlogG= 0.103984 logG= 0.099308 logGD-logG0= -0.009401 tlogG= 0.209033 logG= 0.199632 Density= 0.139205 ETOT(band)= 0.003516 trlgG= 0.200621 logG= 0.199632 TDE= -0.132563 Density= 0.069205 ETOT(band)= 0.001326 trlgG= 0.099380 logG= 0.099308 TDE= -0.066324 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.52167452857092 eV TrLogG= -13.9107879444106 eV Ratio to renormalize= 0.999999999719 rho-rho_expected= 0.000000004502 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 31) Finished k-point number 32 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 57) Finished k-point number 58 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 82) Finished k-point number 83 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 89) Finished k-point number 90 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 102) Finished k-point number 103 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 72) Finished k-point number 73 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931368488359371 0.927963451322828 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 27) Finished k-point number 28 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 45) Finished k-point number 46 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 20) Finished k-point number 21 1 with #bands= 26 80) Finished k-point number 81 1 with #bands= 20 19) Finished k-point number 20 1 with #bands= 26 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0532305059444 Density= 15.9986803967015 16.0000000000000 EF 13.3253443380579 Density= 16.5044312067768 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97939483 0.95939483 0.504431 -0.131960E-02 1 0.96939483 0.95939485 0.260900 -0.131960E-02 2 0.96439484 0.95939460 0.132855 -0.131960E-02 3 0.96189472 0.95939473 0.667146E-01 -0.131960E-02 4 0.96064472 0.95939466 0.329606E-01 -0.131960E-02 5 0.96001969 0.95939446 0.158877E-01 -0.131960E-02 6 0.95970708 0.95939456 0.729667E-02 -0.131960E-02 7 0.95955082 0.95939475 0.298929E-02 -0.131960E-02 8 0.95947278 0.95939489 0.834803E-03 -0.131960E-02 9 0.95944260 0.95939489 0.927986E-06 -0.131960E-02 10 0.95944257 0.95939489 0.457540E-09 -0.131960E-02 11 0.95944257 0.95944257 -0.230592E-08 0.457540E-09 12 0.95944257 0.95944257 -0.230592E-08 0.457540E-09 Absolute convergence of the X interval. Difference in EF= 0.0006494859 EF set to : 13.0538799918 new EF (no-mixing): 13.0538799918 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001214 tlogG= -0.001238 logG= -0.002453 Density= 0.018972 ETOT(band)= 0.001229 trlgG= -0.001631 logG= -0.002453 TDE= -0.017381 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009689 tlogG= -0.009446 logG= -0.019136 Density= 0.151665 ETOT(band)= 0.010080 trlgG= -0.012322 logG= -0.019136 TDE= -0.138701 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004841 tlogG= -0.004576 logG= -0.009417 Density= 0.075804 ETOT(band)= 0.005118 trlgG= -0.005934 logG= -0.009417 TDE= -0.069247 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002421 tlogG= -0.002383 logG= -0.004803 Density= 0.037890 ETOT(band)= 0.002549 trlgG= -0.003074 logG= -0.004803 TDE= -0.034624 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004861 tlogG= -0.004155 logG= -0.009016 Density= 0.075437 ETOT(band)= 0.005125 trlgG= -0.005589 logG= -0.009016 TDE= -0.068951 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001584 tlogG= -0.001308 logG= -0.002891 Density= 0.022788 ETOT(band)= -0.000156 trlgG= -0.003497 logG= -0.002891 TDE= -0.022470 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.019413 tlogG= -0.014626 logG= -0.034038 Density= 0.298966 ETOT(band)= 0.020673 trlgG= -0.019929 logG= -0.034038 TDE= -0.272732 logGD-logG0= -0.009731 tlogG= -0.008721 logG= -0.018452 Density= 0.151147 ETOT(band)= 0.010503 trlgG= -0.011307 logG= -0.018452 TDE= -0.137872 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019432 tlogG= -0.015743 logG= -0.035175 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.301042 ETOT(band)= 0.020673 trlgG= -0.021265 logG= -0.035175 TDE= -0.274923 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009733 tlogG= -0.006564 logG= -0.016297 Density= 0.147175 ETOT(band)= 0.008348 trlgG= -0.011225 logG= -0.016297 TDE= -0.136134 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003161 tlogG= -0.002511 logG= -0.005672 Density= 0.045396 ETOT(band)= -0.000316 trlgG= -0.006930 logG= -0.005672 TDE= -0.044813 logGD-logG0= -0.002426 tlogG= -0.002059 logG= -0.004485 Density= 0.037406 ETOT(band)= 0.002548 trlgG= -0.002800 logG= -0.004485 TDE= -0.034204 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003115 tlogG= -0.002586 logG= -0.005701 logGD-logG0= -0.009741 tlogG= -0.006613 logG= -0.016354 Density= 0.143867 ETOT(band)= 0.004992 trlgG= -0.014576 logG= -0.016354 TDE= -0.136254 Density= 0.045910 ETOT(band)= 0.000609 trlgG= -0.005882 logG= -0.005701 TDE= -0.044229 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003143 tlogG= -0.002536 logG= -0.005679 Density= 0.045635 ETOT(band)= 0.000098 trlgG= -0.006449 logG= -0.005679 TDE= -0.044554 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009693 tlogG= -0.007724 logG= -0.017417 Density= 0.149782 ETOT(band)= 0.010762 trlgG= -0.009998 logG= -0.017417 TDE= -0.136288 logGD-logG0= -0.009486 tlogG= -0.007317 logG= -0.016804 Density= 0.136673 ETOT(band)= -0.000568 trlgG= -0.020243 logG= -0.016804 TDE= -0.134570 logGD-logG0= -0.009557 tlogG= -0.005889 logG= -0.015446 Density= 0.138074 ETOT(band)= 0.001026 trlgG= -0.017383 logG= -0.015446 TDE= -0.134411 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009717 tlogG= -0.007983 logG= -0.017700 Density= 0.150445 ETOT(band)= 0.010376 trlgG= -0.010704 logG= -0.017700 TDE= -0.137347 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009471 tlogG= -0.007244 logG= -0.016715 Density= 0.136719 ETOT(band)= -0.000178 trlgG= -0.019733 logG= -0.016715 TDE= -0.134191 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009494 tlogG= -0.007403 logG= -0.016898 Density= 0.136808 ETOT(band)= -0.000619 trlgG= -0.020373 logG= -0.016898 TDE= -0.134734 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009415 tlogG= -0.007309 logG= -0.016724 Density= 0.137403 ETOT(band)= 0.001140 trlgG= -0.018177 logG= -0.016724 TDE= -0.133284 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009736 tlogG= -0.007487 logG= -0.017223 Density= 0.148838 ETOT(band)= 0.010643 trlgG= -0.009904 logG= -0.017223 TDE= -0.135482 logGD-logG0= -0.009475 tlogG= -0.006475 logG= -0.015950 Density= 0.137690 ETOT(band)= 0.001022 trlgG= -0.017842 logG= -0.015950 TDE= -0.133998 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009762 tlogG= -0.006461 logG= -0.016223 Density= 0.142565 ETOT(band)= 0.004389 trlgG= -0.014931 logG= -0.016223 TDE= -0.135491 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004797 tlogG= -0.003071 logG= -0.007869 Density= 0.067568 ETOT(band)= -0.001255 trlgG= -0.010560 logG= -0.007869 TDE= -0.067519 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009450 tlogG= -0.007275 logG= -0.016725 Density= 0.136955 ETOT(band)= 0.000235 trlgG= -0.019245 logG= -0.016725 TDE= -0.133920 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009721 tlogG= -0.008588 logG= -0.018309 Density= 0.150665 ETOT(band)= 0.010476 trlgG= -0.011231 logG= -0.018309 TDE= -0.137476 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009813 tlogG= -0.006464 logG= -0.016277 Density= 0.143158 ETOT(band)= 0.004440 trlgG= -0.015037 logG= -0.016277 TDE= -0.136111 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019084 tlogG= -0.011859 logG= -0.030943 Density= 0.277949 ETOT(band)= 0.004067 trlgG= -0.032899 logG= -0.030943 TDE= -0.268632 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004892 tlogG= -0.003539 logG= -0.008431 Density= 0.074712 ETOT(band)= 0.004970 trlgG= -0.005112 logG= -0.008431 TDE= -0.068364 logGD-logG0= -0.000389 tlogG= 0.008629 logG= 0.008240 logGD-logG0= -0.019081 tlogG= -0.012159 logG= -0.031240 Density= 0.005721 ETOT(band)= 0.000067 trlgG= 0.008202 logG= 0.008240 TDE= -0.005527 Density= 0.278104 ETOT(band)= 0.004511 trlgG= -0.032591 logG= -0.031240 TDE= -0.268175 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019580 tlogG= -0.012664 logG= -0.032243 logGD-logG0= -0.009679 tlogG= -0.004831 logG= -0.014510 Density= 0.285267 ETOT(band)= 0.008404 trlgG= -0.030142 logG= -0.032243 TDE= -0.271596 Density= 0.131044 ETOT(band)= -0.005129 trlgG= -0.022387 logG= -0.014510 TDE= -0.133606 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019336 tlogG= -0.011962 logG= -0.031297 Density= 0.281440 ETOT(band)= 0.006890 trlgG= -0.030450 logG= -0.031297 TDE= -0.269177 logGD-logG0= -0.019299 tlogG= -0.010355 logG= -0.029655 Density= 0.278080 ETOT(band)= 0.004635 trlgG= -0.030926 logG= -0.029655 TDE= -0.268073 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009833 tlogG= -0.005918 logG= -0.015751 logGD-logG0= -0.009602 tlogG= -0.005967 logG= -0.015569 Density= 0.135799 ETOT(band)= -0.001511 trlgG= -0.019968 logG= -0.015569 TDE= -0.134690 Density= 0.143997 ETOT(band)= 0.006422 trlgG= -0.012405 logG= -0.015751 TDE= -0.134811 logGD-logG0= -0.009613 tlogG= -0.005411 logG= -0.015024 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.133048 ETOT(band)= -0.003754 trlgG= -0.021542 logG= -0.015024 TDE= -0.134171 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019279 tlogG= -0.010506 logG= -0.029785 Density= 0.272186 ETOT(band)= -0.001905 trlgG= -0.037381 logG= -0.029785 TDE= -0.268743 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019288 tlogG= -0.010074 logG= -0.029362 Density= 0.264242 ETOT(band)= -0.008137 trlgG= -0.043050 logG= -0.029362 TDE= -0.267213 logGD-logG0= -0.019207 tlogG= -0.011354 logG= -0.030561 Density= 0.275316 ETOT(band)= 0.001157 trlgG= -0.035227 logG= -0.030561 TDE= -0.268816 logGD-logG0= -0.019440 tlogG= -0.011809 logG= -0.031248 Density= 0.280253 ETOT(band)= 0.004438 trlgG= -0.032944 logG= -0.031248 TDE= -0.270583 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009587 tlogG= -0.005579 logG= -0.015166 Density= 0.133707 ETOT(band)= -0.003143 trlgG= -0.021132 logG= -0.015166 TDE= -0.134250 logGD-logG0= -0.019328 tlogG= -0.009980 logG= -0.029308 Density= 0.267094 ETOT(band)= -0.006165 trlgG= -0.041070 logG= -0.029308 TDE= -0.268023 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019194 tlogG= -0.010748 logG= -0.029943 logGD-logG0= -0.019011 tlogG= -0.011541 logG= -0.030552 Density= 0.271290 ETOT(band)= -0.002190 trlgG= -0.037984 logG= -0.029943 TDE= -0.268329 Density= 0.276471 ETOT(band)= 0.003907 trlgG= -0.032471 logG= -0.030552 TDE= -0.267177 logGD-logG0= -0.019101 tlogG= -0.012012 logG= -0.031113 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278304 ETOT(band)= 0.004122 trlgG= -0.033055 logG= -0.031113 TDE= -0.268959 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019231 tlogG= -0.011580 logG= -0.030812 Density= 0.270006 ETOT(band)= -0.004653 trlgG= -0.041249 logG= -0.030812 TDE= -0.269492 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009673 tlogG= -0.005149 logG= -0.014822 logGD-logG0= -0.009624 tlogG= -0.005441 logG= -0.015066 Density= 0.139963 ETOT(band)= 0.002942 trlgG= -0.014892 logG= -0.014822 TDE= -0.134355 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.135819 ETOT(band)= -0.001333 trlgG= -0.019137 logG= -0.015066 TDE= -0.134381 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019628 tlogG= -0.012641 logG= -0.032269 logGD-logG0= -0.009615 tlogG= -0.005086 logG= -0.014701 Density= 0.289721 ETOT(band)= 0.015008 trlgG= -0.023434 logG= -0.032269 TDE= -0.269136 Density= 0.136387 ETOT(band)= -0.000479 trlgG= -0.017888 logG= -0.014701 TDE= -0.134043 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009634 tlogG= -0.005222 logG= -0.014856 Density= 0.136839 ETOT(band)= -0.000152 trlgG= -0.017808 logG= -0.014856 TDE= -0.134240 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004815 tlogG= -0.002630 logG= -0.007445 Density= 0.068614 ETOT(band)= 0.000058 trlgG= -0.008834 logG= -0.007445 TDE= -0.067221 logGD-logG0= -0.019014 tlogG= -0.012250 logG= -0.031264 Density= 0.278927 ETOT(band)= 0.006484 trlgG= -0.030434 logG= -0.031264 TDE= -0.266784 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019378 tlogG= -0.011042 logG= -0.030420 Density= 0.278039 ETOT(band)= 0.003616 trlgG= -0.032757 logG= -0.030420 TDE= -0.269099 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019236 tlogG= -0.010432 logG= -0.029668 Density= 0.274577 ETOT(band)= 0.002125 trlgG= -0.033346 logG= -0.029668 TDE= -0.267119 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009443 tlogG= -0.006767 logG= -0.016210 Density= 0.139081 ETOT(band)= 0.003011 trlgG= -0.015832 logG= -0.016210 TDE= -0.133062 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018911 tlogG= -0.013656 logG= -0.032567 Density= 0.275929 ETOT(band)= 0.003087 trlgG= -0.034926 logG= -0.032567 TDE= -0.267096 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009639 tlogG= -0.005274 logG= -0.014913 Density= 0.133901 ETOT(band)= -0.001772 trlgG= -0.019493 logG= -0.014913 TDE= -0.133050 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009370 tlogG= -0.008766 logG= -0.018136 Density= 0.139536 ETOT(band)= 0.003786 trlgG= -0.016811 logG= -0.018136 TDE= -0.132551 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002344 tlogG= -0.002332 logG= -0.004676 Density= 0.034906 ETOT(band)= 0.000962 trlgG= -0.004360 logG= -0.004676 TDE= -0.033173 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009421 tlogG= -0.007701 logG= -0.017122 logGD-logG0= -0.009510 tlogG= -0.006573 logG= -0.016083 Density= 0.137876 ETOT(band)= 0.000794 trlgG= -0.018294 logG= -0.016083 TDE= -0.134495 Density= 0.138671 ETOT(band)= 0.002969 trlgG= -0.016555 logG= -0.017122 TDE= -0.132481 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009473 tlogG= -0.006836 logG= -0.016309 Density= 0.139423 ETOT(band)= 0.003986 trlgG= -0.014933 logG= -0.016309 TDE= -0.132393 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009502 tlogG= -0.006606 logG= -0.016108 Density= 0.137933 ETOT(band)= 0.000770 trlgG= -0.018308 logG= -0.016108 TDE= -0.134540 logGD-logG0= -0.009402 tlogG= -0.007928 logG= -0.017329 Density= 0.138938 ETOT(band)= 0.003349 trlgG= -0.016432 logG= -0.017329 TDE= -0.132407 logGD-logG0= -0.009483 tlogG= -0.007278 logG= -0.016761 Density= 0.141083 ETOT(band)= 0.005327 trlgG= -0.014130 logG= -0.016761 TDE= -0.132731 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018978 tlogG= -0.013601 logG= -0.032579 Density= 0.275261 ETOT(band)= 0.001258 trlgG= -0.037159 logG= -0.032579 TDE= -0.268677 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004794 tlogG= -0.002800 logG= -0.007594 Density= 0.068411 ETOT(band)= 0.000789 trlgG= -0.008200 logG= -0.007594 TDE= -0.066242 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009496 tlogG= -0.006787 logG= -0.016284 Density= 0.138522 ETOT(band)= 0.001731 trlgG= -0.017305 logG= -0.016284 TDE= -0.133924 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009468 tlogG= -0.007355 logG= -0.016823 Density= 0.137648 ETOT(band)= 0.001698 trlgG= -0.017679 logG= -0.016823 TDE= -0.132921 logGD-logG0= -0.004701 tlogG= -0.003996 logG= -0.008697 Density= 0.069991 ETOT(band)= 0.002192 trlgG= -0.007761 logG= -0.008697 TDE= -0.066215 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009841 tlogG= -0.006660 logG= -0.016501 Density= 0.145868 ETOT(band)= 0.008963 trlgG= -0.010690 logG= -0.016501 TDE= -0.134141 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019182 tlogG= -0.013139 logG= -0.032321 Density= 0.284843 ETOT(band)= 0.012849 trlgG= -0.025228 logG= -0.032321 TDE= -0.266197 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009527 tlogG= -0.007480 logG= -0.017007 Density= 0.142583 ETOT(band)= 0.006639 trlgG= -0.013066 logG= -0.017007 TDE= -0.132859 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009495 tlogG= -0.006804 logG= -0.016299 Density= 0.137545 ETOT(band)= 0.000316 trlgG= -0.018968 logG= -0.016299 TDE= -0.134636 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009666 tlogG= -0.004971 logG= -0.014636 Density= 0.130869 ETOT(band)= -0.004591 trlgG= -0.021962 logG= -0.014636 TDE= -0.132887 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002391 tlogG= -0.001958 logG= -0.004349 Density= 0.035834 ETOT(band)= 0.001796 trlgG= -0.003223 logG= -0.004349 TDE= -0.033255 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019124 tlogG= -0.011596 logG= -0.030719 Density= 0.276887 ETOT(band)= 0.005816 trlgG= -0.030599 logG= -0.030719 TDE= -0.265537 logGD-logG0= -0.009595 tlogG= -0.006308 logG= -0.015903 Density= 0.140300 ETOT(band)= 0.003393 trlgG= -0.015354 logG= -0.015903 TDE= -0.134061 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009696 tlogG= -0.005645 logG= -0.015341 Density= 0.141423 ETOT(band)= 0.005365 trlgG= -0.013016 logG= -0.015341 TDE= -0.133363 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009368 tlogG= -0.008996 logG= -0.018364 Density= 0.139729 ETOT(band)= 0.003975 trlgG= -0.016917 logG= -0.018364 TDE= -0.132615 logGD-logG0= -0.009508 tlogG= -0.006619 logG= -0.016128 Density= 0.140880 ETOT(band)= 0.005374 trlgG= -0.013558 logG= -0.016128 TDE= -0.132597 logGD-logG0= -0.009432 tlogG= -0.008384 logG= -0.017816 Density= 0.140972 ETOT(band)= 0.005148 trlgG= -0.015266 logG= -0.017816 TDE= -0.132705 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003143 tlogG= 0.069840 logG= 0.066697 Density= 0.046315 ETOT(band)= 0.001088 trlgG= 0.066974 logG= 0.066697 TDE= -0.044159 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003124 tlogG= 0.069442 logG= 0.066318 Density= 0.046244 ETOT(band)= 0.000988 trlgG= 0.066479 logG= 0.066318 TDE= -0.044207 logGD-logG0= -0.003114 tlogG= 0.069158 logG= 0.066044 Density= 0.045888 ETOT(band)= 0.000662 trlgG= 0.065853 logG= 0.066044 TDE= -0.044218 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009524 tlogG= -0.006302 logG= -0.015826 Density= 0.137436 ETOT(band)= 0.001682 trlgG= -0.016983 logG= -0.015826 TDE= -0.133018 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002336 tlogG= 0.051888 logG= 0.049552 Density= 0.034480 ETOT(band)= 0.000547 trlgG= 0.049467 logG= 0.049552 TDE= -0.033167 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009366 tlogG= 0.208343 logG= 0.198978 Density= 0.138697 ETOT(band)= 0.002991 trlgG= 0.199406 logG= 0.198978 TDE= -0.132644 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.018846 tlogG= -0.015664 logG= -0.034510 Density= 0.280606 ETOT(band)= 0.009274 trlgG= -0.030297 logG= -0.034510 TDE= -0.265012 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009402 tlogG= 0.209044 logG= 0.199642 Density= 0.139204 ETOT(band)= 0.003522 trlgG= 0.200637 logG= 0.199642 TDE= -0.132564 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.018957 tlogG= -0.013875 logG= -0.032832 Density= 0.277708 ETOT(band)= 0.006371 trlgG= -0.031592 logG= -0.032832 TDE= -0.265204 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004675 tlogG= 0.103989 logG= 0.099314 Density= 0.069205 ETOT(band)= 0.001329 trlgG= 0.099388 logG= 0.099314 TDE= -0.066324 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009663 tlogG= -0.006523 logG= -0.016186 Density= 0.143583 ETOT(band)= 0.006861 trlgG= -0.012260 logG= -0.016186 TDE= -0.133833 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009797 tlogG= -0.007074 logG= -0.016872 Density= 0.147538 ETOT(band)= 0.009072 trlgG= -0.011104 logG= -0.016872 TDE= -0.135787 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009540 tlogG= -0.005573 logG= -0.015113 Density= 0.136805 ETOT(band)= 0.000294 trlgG= -0.017778 logG= -0.015113 TDE= -0.133922 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002448 tlogG= -0.001852 logG= -0.004300 Density= 0.036973 ETOT(band)= 0.002621 trlgG= -0.002474 logG= -0.004300 TDE= -0.033647 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009572 tlogG= -0.006088 logG= -0.015659 Density= 0.138667 ETOT(band)= 0.001588 trlgG= -0.016959 logG= -0.015659 TDE= -0.134343 logGD-logG0= -0.004811 tlogG= -0.002548 logG= -0.007360 Density= 0.065432 ETOT(band)= -0.002626 trlgG= -0.011280 logG= -0.007360 TDE= -0.066698 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009715 tlogG= -0.007133 logG= -0.016847 Density= 0.145015 ETOT(band)= 0.008529 trlgG= -0.011159 logG= -0.016847 TDE= -0.133446 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Sum of eigenvalues= 4.53076911463896 eV TrLogG= -13.9022092905078 eV Ratio to renormalize= 0.999999999863 rho-rho_expected= 0.000000002195 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 53) Finished k-point number 54 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 56) Finished k-point number 57 1 with #bands= 18 59) Finished k-point number 60 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 28) Finished k-point number 29 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 25) Finished k-point number 26 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 88) Finished k-point number 89 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 82) Finished k-point number 83 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 75) Finished k-point number 76 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931344727894048 0.927989359236667 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 9) Finished k-point number 10 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 53) Finished k-point number 54 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 67) Finished k-point number 68 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0538799918072 Density= 16.0012707944956 16.0000000000000 EF 12.7817661596937 Density= 15.3629855688539 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95944257 0.93944257 0.127079E-02 -0.637014 1 0.95940275 0.93944257 0.171110E-03 -0.637014 2 0.95939656 0.95940275 -0.686387E-08 0.171110E-03 3 0.95939656 0.95939656 0.280664E-12 -0.686387E-08 Absolute convergence of |F(X)|. Difference in EF= -0.0006260374 EF set to : 13.0532539544 new EF (no-mixing): 13.0532539544 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001214 tlogG= -0.001238 logG= -0.002453 Density= 0.018973 ETOT(band)= 0.001229 trlgG= -0.001631 logG= -0.002453 TDE= -0.017381 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009689 tlogG= -0.009447 logG= -0.019136 Density= 0.151670 ETOT(band)= 0.010079 trlgG= -0.012323 logG= -0.019136 TDE= -0.138699 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002421 tlogG= -0.002383 logG= -0.004803 Density= 0.037891 ETOT(band)= 0.002548 trlgG= -0.003075 logG= -0.004803 TDE= -0.034624 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004841 tlogG= -0.004576 logG= -0.009417 Density= 0.075806 ETOT(band)= 0.005117 trlgG= -0.005934 logG= -0.009417 TDE= -0.069246 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002426 tlogG= -0.002059 logG= -0.004485 Density= 0.037407 ETOT(band)= 0.002548 trlgG= -0.002800 logG= -0.004485 TDE= -0.034204 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001584 tlogG= -0.001308 logG= -0.002892 Density= 0.022789 ETOT(band)= -0.000156 trlgG= -0.003498 logG= -0.002892 TDE= -0.022470 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009721 tlogG= -0.008588 logG= -0.018309 Density= 0.150670 ETOT(band)= 0.010475 trlgG= -0.011231 logG= -0.018309 TDE= -0.137474 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009741 tlogG= -0.006614 logG= -0.016355 Density= 0.143852 ETOT(band)= 0.004973 trlgG= -0.014595 logG= -0.016355 TDE= -0.136252 logGD-logG0= -0.009717 tlogG= -0.007982 logG= -0.017699 Density= 0.150448 ETOT(band)= 0.010373 trlgG= -0.010705 logG= -0.017699 TDE= -0.137345 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004861 tlogG= -0.004154 logG= -0.009015 Density= 0.075439 ETOT(band)= 0.005124 trlgG= -0.005589 logG= -0.009015 TDE= -0.068950 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009731 tlogG= -0.008721 logG= -0.018451 Density= 0.151151 ETOT(band)= 0.010501 trlgG= -0.011308 logG= -0.018451 TDE= -0.137870 logGD-logG0= -0.019432 tlogG= -0.015742 logG= -0.035174 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.301050 ETOT(band)= 0.020670 trlgG= -0.021267 logG= -0.035174 TDE= -0.274919 logGD-logG0= -0.009693 tlogG= -0.007724 logG= -0.017417 Density= 0.149786 ETOT(band)= 0.010761 trlgG= -0.009999 logG= -0.017417 TDE= -0.136287 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019412 tlogG= -0.014625 logG= -0.034037 Density= 0.298980 ETOT(band)= 0.020675 trlgG= -0.019925 logG= -0.034037 TDE= -0.272728 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009733 tlogG= -0.006564 logG= -0.016296 Density= 0.147176 ETOT(band)= 0.008344 trlgG= -0.011228 logG= -0.016296 TDE= -0.136132 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003161 tlogG= -0.002510 logG= -0.005670 Density= 0.045396 ETOT(band)= -0.000318 trlgG= -0.006930 logG= -0.005670 TDE= -0.044812 logGD-logG0= -0.003115 tlogG= -0.002585 logG= -0.005700 Density= 0.045911 ETOT(band)= 0.000607 trlgG= -0.005882 logG= -0.005700 TDE= -0.044229 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009494 tlogG= -0.007404 logG= -0.016897 Density= 0.136810 ETOT(band)= -0.000622 trlgG= -0.020375 logG= -0.016897 TDE= -0.134733 logGD-logG0= -0.003143 tlogG= -0.002536 logG= -0.005679 Density= 0.045636 ETOT(band)= 0.000096 trlgG= -0.006450 logG= -0.005679 TDE= -0.044554 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009486 tlogG= -0.007317 logG= -0.016803 Density= 0.136675 ETOT(band)= -0.000572 trlgG= -0.020245 logG= -0.016803 TDE= -0.134569 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009501 tlogG= -0.006607 logG= -0.016108 Density= 0.137934 ETOT(band)= 0.000765 trlgG= -0.018313 logG= -0.016108 TDE= -0.134538 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009798 tlogG= -0.007074 logG= -0.016871 Density= 0.147538 ETOT(band)= 0.009067 trlgG= -0.011109 logG= -0.016871 TDE= -0.135785 logGD-logG0= -0.009471 tlogG= -0.007243 logG= -0.016714 Density= 0.136720 ETOT(band)= -0.000182 trlgG= -0.019736 logG= -0.016714 TDE= -0.134190 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009415 tlogG= -0.007310 logG= -0.016725 Density= 0.137404 ETOT(band)= 0.001135 trlgG= -0.018182 logG= -0.016725 TDE= -0.133283 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009736 tlogG= -0.007487 logG= -0.017223 Density= 0.148842 ETOT(band)= 0.010642 trlgG= -0.009905 logG= -0.017223 TDE= -0.135480 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009450 tlogG= -0.007275 logG= -0.016725 Density= 0.136957 ETOT(band)= 0.000231 trlgG= -0.019248 logG= -0.016725 TDE= -0.133919 logGD-logG0= -0.009586 tlogG= -0.005577 logG= -0.015162 Density= 0.133707 ETOT(band)= -0.003149 trlgG= -0.021134 logG= -0.015162 TDE= -0.134249 logGD-logG0= -0.009762 tlogG= -0.006461 logG= -0.016223 Density= 0.142560 ETOT(band)= 0.004379 trlgG= -0.014940 logG= -0.016223 TDE= -0.135490 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009595 tlogG= -0.006308 logG= -0.015902 Density= 0.140297 ETOT(band)= 0.003384 trlgG= -0.015361 logG= -0.015902 TDE= -0.134059 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009509 tlogG= -0.006573 logG= -0.016082 Density= 0.137877 ETOT(band)= 0.000789 trlgG= -0.018297 logG= -0.016082 TDE= -0.134494 logGD-logG0= -0.004798 tlogG= -0.003071 logG= -0.007869 Density= 0.067569 ETOT(band)= -0.001257 trlgG= -0.010562 logG= -0.007869 TDE= -0.067518 logGD-logG0= -0.004812 tlogG= -0.002549 logG= -0.007361 Density= 0.065426 ETOT(band)= -0.002634 trlgG= -0.011289 logG= -0.007361 TDE= -0.066698 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009572 tlogG= -0.006088 logG= -0.015660 Density= 0.138667 ETOT(band)= 0.001582 trlgG= -0.016964 logG= -0.015660 TDE= -0.134342 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009443 tlogG= -0.006767 logG= -0.016210 logGD-logG0= -0.009556 tlogG= -0.005889 logG= -0.015445 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.139081 ETOT(band)= 0.003005 trlgG= -0.015837 logG= -0.016210 TDE= -0.133060 Density= 0.138074 ETOT(band)= 0.001020 trlgG= -0.017388 logG= -0.015445 TDE= -0.134410 logGD-logG0= -0.009474 tlogG= -0.006474 logG= -0.015949 Density= 0.137691 ETOT(band)= 0.001017 trlgG= -0.017845 logG= -0.015949 TDE= -0.133996 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009497 tlogG= -0.006791 logG= -0.016288 Density= 0.138521 ETOT(band)= 0.001725 trlgG= -0.017315 logG= -0.016288 TDE= -0.133923 logGD-logG0= -0.009662 tlogG= -0.006523 logG= -0.016185 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.143578 ETOT(band)= 0.006850 trlgG= -0.012268 logG= -0.016185 TDE= -0.133831 logGD-logG0= -0.009494 tlogG= -0.006807 logG= -0.016301 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137545 ETOT(band)= 0.000309 trlgG= -0.018976 logG= -0.016301 TDE= -0.134635 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009602 tlogG= -0.005967 logG= -0.015569 Density= 0.135801 ETOT(band)= -0.001515 trlgG= -0.019971 logG= -0.015569 TDE= -0.134689 logGD-logG0= -0.009540 tlogG= -0.005568 logG= -0.015108 Density= 0.136813 ETOT(band)= 0.000295 trlgG= -0.017771 logG= -0.015108 TDE= -0.133920 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019579 tlogG= -0.012666 logG= -0.032246 Density= 0.285259 ETOT(band)= 0.008386 trlgG= -0.030162 logG= -0.032246 TDE= -0.271592 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019102 tlogG= -0.012012 logG= -0.031114 Density= 0.278308 ETOT(band)= 0.004116 trlgG= -0.033062 logG= -0.031114 TDE= -0.268956 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009813 tlogG= -0.006464 logG= -0.016277 Density= 0.143154 ETOT(band)= 0.004430 trlgG= -0.015046 logG= -0.016277 TDE= -0.136110 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019335 tlogG= -0.011962 logG= -0.031297 logGD-logG0= -0.000389 tlogG= 0.008628 logG= 0.008240 Density= 0.281439 ETOT(band)= 0.006879 trlgG= -0.030460 logG= -0.031297 TDE= -0.269174 logGD-logG0= -0.019207 tlogG= -0.011355 logG= -0.030562 logGD-logG0= -0.019287 tlogG= -0.010074 logG= -0.029361 Density= 0.264238 ETOT(band)= -0.008153 trlgG= -0.043063 logG= -0.029361 TDE= -0.267211 Density= 0.005721 ETOT(band)= 0.000067 trlgG= 0.008201 logG= 0.008240 TDE= -0.005527 logGD-logG0= -0.019192 tlogG= -0.010745 logG= -0.029936 Density= 0.275316 ETOT(band)= 0.001146 trlgG= -0.035239 logG= -0.030562 TDE= -0.268813 Density= 0.271276 ETOT(band)= -0.002218 trlgG= -0.038001 logG= -0.029936 TDE= -0.268326 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019084 tlogG= -0.011864 logG= -0.030947 logGD-logG0= -0.018978 tlogG= -0.013609 logG= -0.032587 logGD-logG0= -0.018910 tlogG= -0.013647 logG= -0.032557 Density= 0.275934 ETOT(band)= 0.003080 trlgG= -0.034920 logG= -0.032557 TDE= -0.267094 Density= 0.277946 ETOT(band)= 0.004052 trlgG= -0.032916 logG= -0.030947 TDE= -0.268629 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 Density= 0.275265 ETOT(band)= 0.001250 trlgG= -0.037173 logG= -0.032587 TDE= -0.268674 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004892 tlogG= -0.003539 logG= -0.008430 logGD-logG0= -0.019014 tlogG= -0.012251 logG= -0.031265 Density= 0.074714 ETOT(band)= 0.004968 trlgG= -0.005114 logG= -0.008430 TDE= -0.068363 Density= 0.278926 ETOT(band)= 0.006471 trlgG= -0.030446 logG= -0.031265 TDE= -0.266781 logGD-logG0= -0.019297 tlogG= -0.010352 logG= -0.029648 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278035 ETOT(band)= 0.004579 trlgG= -0.030973 logG= -0.029648 TDE= -0.268070 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019012 tlogG= -0.011542 logG= -0.030553 Density= 0.276471 ETOT(band)= 0.003897 trlgG= -0.032482 logG= -0.030553 TDE= -0.267174 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019082 tlogG= -0.012160 logG= -0.031242 Density= 0.278106 ETOT(band)= 0.004502 trlgG= -0.032601 logG= -0.031242 TDE= -0.268172 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009614 tlogG= -0.005409 logG= -0.015023 Density= 0.133039 ETOT(band)= -0.003768 trlgG= -0.021555 logG= -0.015023 TDE= -0.134169 logGD-logG0= -0.019628 tlogG= -0.012643 logG= -0.032271 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.289725 ETOT(band)= 0.015000 trlgG= -0.023443 logG= -0.032271 TDE= -0.269132 logGD-logG0= -0.009679 tlogG= -0.004832 logG= -0.014510 Density= 0.131039 ETOT(band)= -0.005140 trlgG= -0.022397 logG= -0.014510 TDE= -0.133605 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019231 tlogG= -0.011583 logG= -0.030815 Density= 0.270021 ETOT(band)= -0.004649 trlgG= -0.041248 logG= -0.030815 TDE= -0.269490 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019378 tlogG= -0.011042 logG= -0.030420 logGD-logG0= -0.019440 tlogG= -0.011809 logG= -0.031249 Density= 0.278032 ETOT(band)= 0.003598 trlgG= -0.032774 logG= -0.030420 TDE= -0.269096 Density= 0.280249 ETOT(band)= 0.004423 trlgG= -0.032959 logG= -0.031249 TDE= -0.270579 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019277 tlogG= -0.010506 logG= -0.029783 Density= 0.272193 ETOT(band)= -0.001909 trlgG= -0.037382 logG= -0.029783 TDE= -0.268740 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009833 tlogG= -0.005918 logG= -0.015751 Density= 0.143995 ETOT(band)= 0.006415 trlgG= -0.012412 logG= -0.015751 TDE= -0.134810 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019328 tlogG= -0.009985 logG= -0.029314 Density= 0.267108 ETOT(band)= -0.006162 trlgG= -0.041072 logG= -0.029314 TDE= -0.268020 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009674 tlogG= -0.005149 logG= -0.014823 Density= 0.139956 ETOT(band)= 0.002930 trlgG= -0.014904 logG= -0.014823 TDE= -0.134354 logGD-logG0= -0.009615 tlogG= -0.005087 logG= -0.014702 Density= 0.136387 ETOT(band)= -0.000484 trlgG= -0.017894 logG= -0.014702 TDE= -0.134042 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009623 tlogG= -0.005441 logG= -0.015064 Density= 0.135820 ETOT(band)= -0.001338 trlgG= -0.019139 logG= -0.015064 TDE= -0.134380 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009634 tlogG= -0.005222 logG= -0.014856 Density= 0.136837 ETOT(band)= -0.000159 trlgG= -0.017814 logG= -0.014856 TDE= -0.134239 logGD-logG0= -0.004815 tlogG= -0.002630 logG= -0.007445 Density= 0.068614 ETOT(band)= 0.000055 trlgG= -0.008837 logG= -0.007445 TDE= -0.067220 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002448 tlogG= -0.001852 logG= -0.004300 Density= 0.036973 ETOT(band)= 0.002620 trlgG= -0.002475 logG= -0.004300 TDE= -0.033647 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019236 tlogG= -0.010434 logG= -0.029670 Density= 0.274582 ETOT(band)= 0.002120 trlgG= -0.033353 logG= -0.029670 TDE= -0.267116 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009370 tlogG= -0.008766 logG= -0.018136 Density= 0.139537 ETOT(band)= 0.003781 trlgG= -0.016815 logG= -0.018136 TDE= -0.132550 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009468 tlogG= -0.007356 logG= -0.016823 Density= 0.137649 ETOT(band)= 0.001693 trlgG= -0.017682 logG= -0.016823 TDE= -0.132920 logGD-logG0= -0.002344 tlogG= -0.002332 logG= -0.004677 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002391 tlogG= -0.001958 logG= -0.004349 Density= 0.034906 ETOT(band)= 0.000961 trlgG= -0.004361 logG= -0.004677 TDE= -0.033173 Density= 0.035834 ETOT(band)= 0.001794 trlgG= -0.003225 logG= -0.004349 TDE= -0.033255 logGD-logG0= -0.009421 tlogG= -0.007701 logG= -0.017122 Density= 0.138673 ETOT(band)= 0.002965 trlgG= -0.016559 logG= -0.017122 TDE= -0.132480 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009715 tlogG= -0.007133 logG= -0.016848 logGD-logG0= -0.009483 tlogG= -0.007278 logG= -0.016761 Density= 0.145014 ETOT(band)= 0.008523 trlgG= -0.011166 logG= -0.016848 TDE= -0.133445 Density= 0.141083 ETOT(band)= 0.005321 trlgG= -0.014136 logG= -0.016761 TDE= -0.132729 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004702 tlogG= -0.003997 logG= -0.008699 Density= 0.069991 ETOT(band)= 0.002189 trlgG= -0.007765 logG= -0.008699 TDE= -0.066215 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009432 tlogG= -0.008383 logG= -0.017816 Density= 0.140972 ETOT(band)= 0.005142 trlgG= -0.015272 logG= -0.017816 TDE= -0.132704 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009472 tlogG= -0.006836 logG= -0.016309 Density= 0.139424 ETOT(band)= 0.003981 trlgG= -0.014937 logG= -0.016309 TDE= -0.132392 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009402 tlogG= -0.007930 logG= -0.017332 Density= 0.138938 ETOT(band)= 0.003344 trlgG= -0.016440 logG= -0.017332 TDE= -0.132405 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009524 tlogG= -0.006301 logG= -0.015825 Density= 0.137437 ETOT(band)= 0.001678 trlgG= -0.016985 logG= -0.015825 TDE= -0.133017 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009639 tlogG= -0.005273 logG= -0.014912 Density= 0.133901 ETOT(band)= -0.001777 trlgG= -0.019496 logG= -0.014912 TDE= -0.133049 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004794 tlogG= -0.002799 logG= -0.007593 Density= 0.068417 ETOT(band)= 0.000792 trlgG= -0.008196 logG= -0.007593 TDE= -0.066241 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019181 tlogG= -0.013137 logG= -0.032319 Density= 0.284840 ETOT(band)= 0.012834 trlgG= -0.025239 logG= -0.032319 TDE= -0.266194 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009368 tlogG= -0.008996 logG= -0.018364 Density= 0.139729 ETOT(band)= 0.003970 trlgG= -0.016922 logG= -0.018364 TDE= -0.132613 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018846 tlogG= -0.015663 logG= -0.034510 logGD-logG0= -0.009527 tlogG= -0.007480 logG= -0.017007 Density= 0.142582 ETOT(band)= 0.006632 trlgG= -0.013072 logG= -0.017007 TDE= -0.132858 Density= 0.280605 ETOT(band)= 0.009262 trlgG= -0.030307 logG= -0.034510 TDE= -0.265010 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009841 tlogG= -0.006660 logG= -0.016500 Density= 0.145868 ETOT(band)= 0.008958 trlgG= -0.010695 logG= -0.016500 TDE= -0.134140 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009665 tlogG= -0.004970 logG= -0.014635 Density= 0.130862 ETOT(band)= -0.004602 trlgG= -0.021973 logG= -0.014635 TDE= -0.132886 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018957 tlogG= -0.013877 logG= -0.032834 Density= 0.277709 ETOT(band)= 0.006361 trlgG= -0.031602 logG= -0.032834 TDE= -0.265202 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019125 tlogG= -0.011598 logG= -0.030722 Density= 0.276901 ETOT(band)= 0.005820 trlgG= -0.030599 logG= -0.030722 TDE= -0.265534 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009696 tlogG= -0.005645 logG= -0.015340 Density= 0.141419 ETOT(band)= 0.005356 trlgG= -0.013025 logG= -0.015340 TDE= -0.133361 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009507 tlogG= -0.006619 logG= -0.016126 Density= 0.140879 ETOT(band)= 0.005367 trlgG= -0.013563 logG= -0.016126 TDE= -0.132596 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003124 tlogG= 0.069438 logG= 0.066314 Density= 0.046244 ETOT(band)= 0.000986 trlgG= 0.066474 logG= 0.066314 TDE= -0.044207 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003143 tlogG= 0.069837 logG= 0.066694 Density= 0.046315 ETOT(band)= 0.001086 trlgG= 0.066969 logG= 0.066694 TDE= -0.044159 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002336 tlogG= 0.051885 logG= 0.049549 Density= 0.034480 ETOT(band)= 0.000546 trlgG= 0.049463 logG= 0.049549 TDE= -0.033166 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003114 tlogG= 0.069154 logG= 0.066040 Density= 0.045889 ETOT(band)= 0.000660 trlgG= 0.065848 logG= 0.066040 TDE= -0.044217 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009366 tlogG= 0.208333 logG= 0.198967 Density= 0.138698 ETOT(band)= 0.002986 trlgG= 0.199391 logG= 0.198967 TDE= -0.132643 logGD-logG0= -0.004675 tlogG= 0.103984 logG= 0.099309 Density= 0.069205 ETOT(band)= 0.001327 trlgG= 0.099381 logG= 0.099309 TDE= -0.066324 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009402 tlogG= 0.209034 logG= 0.199632 Density= 0.139205 ETOT(band)= 0.003517 trlgG= 0.200622 logG= 0.199632 TDE= -0.132563 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.52212388836108 eV TrLogG= -13.9104070278781 eV Ratio to renormalize= 0.999999999719 rho-rho_expected= 0.000000004501 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 25) Finished k-point number 26 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 23) Finished k-point number 24 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 59) Finished k-point number 60 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 56) Finished k-point number 57 1 with #bands= 18 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 73) Finished k-point number 74 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 85) Finished k-point number 86 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 93) Finished k-point number 94 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931389073655512 0.927937380683815 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 19) Finished k-point number 20 1 with #bands= 26 53) Finished k-point number 54 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 35) Finished k-point number 36 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 34) Finished k-point number 35 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 38) Finished k-point number 39 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0532539543757 Density= 15.9980826268791 16.0000000000000 EF 13.3253677864892 Density= 16.5038999429671 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97939656 0.95939656 0.503900 -0.191737E-02 1 0.96939656 0.95939657 0.260357 -0.191737E-02 2 0.96439656 0.95939680 0.132297 -0.191737E-02 3 0.96189668 0.95939645 0.661472E-01 -0.191737E-02 4 0.96064657 0.95939663 0.323792E-01 -0.191737E-02 5 0.96002160 0.95939678 0.153017E-01 -0.191737E-02 6 0.95970919 0.95939646 0.671308E-02 -0.191737E-02 7 0.95955283 0.95939638 0.240110E-02 -0.191737E-02 8 0.95947460 0.95939642 0.240599E-03 -0.191737E-02 9 0.95946589 0.95947460 -0.171839E-06 0.240599E-03 10 0.95946590 0.95946589 0.100719E-10 -0.171839E-06 Absolute convergence of |F(X)|. Difference in EF= 0.0009434469 EF set to : 13.0541974013 new EF (no-mixing): 13.0541974013 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001214 tlogG= -0.001238 logG= -0.002453 Density= 0.018972 ETOT(band)= 0.001229 trlgG= -0.001631 logG= -0.002453 TDE= -0.017381 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009690 tlogG= -0.009447 logG= -0.019136 Density= 0.151664 ETOT(band)= 0.010082 trlgG= -0.012322 logG= -0.019136 TDE= -0.138702 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002421 tlogG= -0.002383 logG= -0.004803 Density= 0.037889 ETOT(band)= 0.002549 trlgG= -0.003074 logG= -0.004803 TDE= -0.034624 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004841 tlogG= -0.004576 logG= -0.009417 Density= 0.075803 ETOT(band)= 0.005118 trlgG= -0.005934 logG= -0.009417 TDE= -0.069247 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002426 tlogG= -0.002059 logG= -0.004485 Density= 0.037405 ETOT(band)= 0.002548 trlgG= -0.002801 logG= -0.004485 TDE= -0.034204 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001584 tlogG= -0.001308 logG= -0.002892 Density= 0.022788 ETOT(band)= -0.000155 trlgG= -0.003497 logG= -0.002892 TDE= -0.022470 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009741 tlogG= -0.006613 logG= -0.016354 Density= 0.143862 ETOT(band)= 0.004992 trlgG= -0.014577 logG= -0.016354 TDE= -0.136254 logGD-logG0= -0.009717 tlogG= -0.007983 logG= -0.017700 Density= 0.150440 ETOT(band)= 0.010374 trlgG= -0.010706 logG= -0.017700 TDE= -0.137348 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009721 tlogG= -0.008588 logG= -0.018309 Density= 0.150662 ETOT(band)= 0.010476 trlgG= -0.011231 logG= -0.018309 TDE= -0.137477 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004861 tlogG= -0.004155 logG= -0.009015 Density= 0.075436 ETOT(band)= 0.005125 trlgG= -0.005589 logG= -0.009015 TDE= -0.068951 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009693 tlogG= -0.007724 logG= -0.017417 Density= 0.149778 ETOT(band)= 0.010761 trlgG= -0.009999 logG= -0.017417 TDE= -0.136289 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009731 tlogG= -0.008721 logG= -0.018452 Density= 0.151144 ETOT(band)= 0.010503 trlgG= -0.011307 logG= -0.018452 TDE= -0.137873 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019413 tlogG= -0.014624 logG= -0.034037 Density= 0.298957 ETOT(band)= 0.020670 trlgG= -0.019931 logG= -0.034037 TDE= -0.272733 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019432 tlogG= -0.015742 logG= -0.035174 Density= 0.301035 ETOT(band)= 0.020673 trlgG= -0.021266 logG= -0.035174 TDE= -0.274924 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009733 tlogG= -0.006564 logG= -0.016297 Density= 0.147171 ETOT(band)= 0.008348 trlgG= -0.011225 logG= -0.016297 TDE= -0.136134 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003115 tlogG= -0.002585 logG= -0.005700 Density= 0.045910 ETOT(band)= 0.000609 trlgG= -0.005880 logG= -0.005700 TDE= -0.044229 logGD-logG0= -0.003161 tlogG= -0.002511 logG= -0.005672 Density= 0.045396 ETOT(band)= -0.000316 trlgG= -0.006929 logG= -0.005672 TDE= -0.044813 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003143 tlogG= -0.002536 logG= -0.005679 Density= 0.045635 ETOT(band)= 0.000099 trlgG= -0.006448 logG= -0.005679 TDE= -0.044554 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009486 tlogG= -0.007316 logG= -0.016802 Density= 0.136672 ETOT(band)= -0.000567 trlgG= -0.020240 logG= -0.016802 TDE= -0.134570 logGD-logG0= -0.009494 tlogG= -0.007402 logG= -0.016896 Density= 0.136806 ETOT(band)= -0.000617 trlgG= -0.020369 logG= -0.016896 TDE= -0.134734 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009471 tlogG= -0.007242 logG= -0.016713 Density= 0.136716 ETOT(band)= -0.000177 trlgG= -0.019730 logG= -0.016713 TDE= -0.134191 logGD-logG0= -0.009415 tlogG= -0.007309 logG= -0.016724 Density= 0.137402 ETOT(band)= 0.001142 trlgG= -0.018176 logG= -0.016724 TDE= -0.133284 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009798 tlogG= -0.007074 logG= -0.016872 Density= 0.147533 ETOT(band)= 0.009070 trlgG= -0.011107 logG= -0.016872 TDE= -0.135787 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004798 tlogG= -0.003072 logG= -0.007869 Density= 0.067567 ETOT(band)= -0.001254 trlgG= -0.010560 logG= -0.007869 TDE= -0.067519 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009762 tlogG= -0.006461 logG= -0.016223 Density= 0.142562 ETOT(band)= 0.004390 trlgG= -0.014931 logG= -0.016223 TDE= -0.135492 logGD-logG0= -0.009736 tlogG= -0.007487 logG= -0.017223 Density= 0.148834 ETOT(band)= 0.010643 trlgG= -0.009904 logG= -0.017223 TDE= -0.135483 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009501 tlogG= -0.006606 logG= -0.016107 Density= 0.137932 ETOT(band)= 0.000772 trlgG= -0.018306 logG= -0.016107 TDE= -0.134540 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009595 tlogG= -0.006307 logG= -0.015902 Density= 0.140300 ETOT(band)= 0.003396 trlgG= -0.015350 logG= -0.015902 TDE= -0.134061 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009556 tlogG= -0.005889 logG= -0.015445 Density= 0.138074 ETOT(band)= 0.001029 trlgG= -0.017380 logG= -0.015445 TDE= -0.134411 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004811 tlogG= -0.002548 logG= -0.007359 Density= 0.065438 ETOT(band)= -0.002618 trlgG= -0.011272 logG= -0.007359 TDE= -0.066698 logGD-logG0= -0.009444 tlogG= -0.006767 logG= -0.016210 Density= 0.139080 ETOT(band)= 0.003014 trlgG= -0.015830 logG= -0.016210 TDE= -0.133062 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009511 tlogG= -0.006573 logG= -0.016084 Density= 0.137875 ETOT(band)= 0.000796 trlgG= -0.018293 logG= -0.016084 TDE= -0.134495 logGD-logG0= -0.009475 tlogG= -0.006475 logG= -0.015949 logGD-logG0= -0.009572 tlogG= -0.006088 logG= -0.015660 Density= 0.137689 ETOT(band)= 0.001024 trlgG= -0.017839 logG= -0.015949 TDE= -0.133998 Density= 0.138667 ETOT(band)= 0.001590 trlgG= -0.016957 logG= -0.015660 TDE= -0.134343 logGD-logG0= -0.009586 tlogG= -0.005578 logG= -0.015165 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.133699 ETOT(band)= -0.003148 trlgG= -0.021136 logG= -0.015165 TDE= -0.134250 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009662 tlogG= -0.006523 logG= -0.016186 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.143580 ETOT(band)= 0.006861 trlgG= -0.012258 logG= -0.016186 TDE= -0.133833 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009537 tlogG= -0.005564 logG= -0.015100 Density= 0.136808 ETOT(band)= 0.000298 trlgG= -0.017759 logG= -0.015100 TDE= -0.133922 logGD-logG0= -0.009603 tlogG= -0.005967 logG= -0.015569 Density= 0.135798 ETOT(band)= -0.001509 trlgG= -0.019966 logG= -0.015569 TDE= -0.134690 logGD-logG0= -0.009494 tlogG= -0.006801 logG= -0.016295 Density= 0.137545 ETOT(band)= 0.000318 trlgG= -0.018962 logG= -0.016295 TDE= -0.134636 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009497 tlogG= -0.006795 logG= -0.016292 Density= 0.138522 ETOT(band)= 0.001734 trlgG= -0.017310 logG= -0.016292 TDE= -0.133925 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019580 tlogG= -0.012663 logG= -0.032243 Density= 0.285270 ETOT(band)= 0.008414 trlgG= -0.030133 logG= -0.032243 TDE= -0.271597 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009813 tlogG= -0.006464 logG= -0.016276 Density= 0.143159 ETOT(band)= 0.004444 trlgG= -0.015032 logG= -0.016276 TDE= -0.136112 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019336 tlogG= -0.011962 logG= -0.031298 logGD-logG0= -0.019102 tlogG= -0.012015 logG= -0.031117 Density= 0.278306 ETOT(band)= 0.004132 trlgG= -0.033051 logG= -0.031117 TDE= -0.268960 Density= 0.281448 ETOT(band)= 0.006905 trlgG= -0.030436 logG= -0.031298 TDE= -0.269178 logGD-logG0= -0.019083 tlogG= -0.011859 logG= -0.030942 Density= 0.277943 ETOT(band)= 0.004066 trlgG= -0.032898 logG= -0.030942 TDE= -0.268632 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019298 tlogG= -0.010358 logG= -0.029656 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278072 ETOT(band)= 0.004633 trlgG= -0.030930 logG= -0.029656 TDE= -0.268074 logGD-logG0= -0.019191 tlogG= -0.010744 logG= -0.029935 Density= 0.271281 ETOT(band)= -0.002196 trlgG= -0.037979 logG= -0.029935 TDE= -0.268329 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019288 tlogG= -0.010073 logG= -0.029361 Density= 0.264238 ETOT(band)= -0.008135 trlgG= -0.043047 logG= -0.029361 TDE= -0.267214 logGD-logG0= -0.018978 tlogG= -0.013601 logG= -0.032579 Density= 0.275259 ETOT(band)= 0.001264 trlgG= -0.037154 logG= -0.032579 TDE= -0.268677 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019207 tlogG= -0.011350 logG= -0.030557 Density= 0.275317 ETOT(band)= 0.001165 trlgG= -0.035216 logG= -0.030557 TDE= -0.268817 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004892 tlogG= -0.003539 logG= -0.008430 Density= 0.074711 ETOT(band)= 0.004970 trlgG= -0.005113 logG= -0.008430 TDE= -0.068364 logGD-logG0= -0.009450 tlogG= -0.007275 logG= -0.016724 Density= 0.136954 ETOT(band)= 0.000237 trlgG= -0.019242 logG= -0.016724 TDE= -0.133920 logGD-logG0= -0.009613 tlogG= -0.005407 logG= -0.015020 Density= 0.133030 ETOT(band)= -0.003769 trlgG= -0.021552 logG= -0.015020 TDE= -0.134171 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019082 tlogG= -0.012161 logG= -0.031244 Density= 0.278103 ETOT(band)= 0.004518 trlgG= -0.032589 logG= -0.031244 TDE= -0.268176 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000389 tlogG= 0.008629 logG= 0.008240 logGD-logG0= -0.009678 tlogG= -0.004829 logG= -0.014507 Density= 0.131051 ETOT(band)= -0.005120 trlgG= -0.022375 logG= -0.014507 TDE= -0.133607 Density= 0.005721 ETOT(band)= 0.000067 trlgG= 0.008202 logG= 0.008240 TDE= -0.005527 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.018911 tlogG= -0.013656 logG= -0.032567 Density= 0.275927 ETOT(band)= 0.003092 trlgG= -0.034921 logG= -0.032567 TDE= -0.267097 logGD-logG0= -0.019010 tlogG= -0.011541 logG= -0.030550 logGD-logG0= -0.019232 tlogG= -0.011581 logG= -0.030813 Density= 0.276468 ETOT(band)= 0.003910 trlgG= -0.032466 logG= -0.030550 TDE= -0.267177 Density= 0.270005 ETOT(band)= -0.004646 trlgG= -0.041245 logG= -0.030813 TDE= -0.269493 logGD-logG0= -0.019013 tlogG= -0.012246 logG= -0.031259 Density= 0.278927 ETOT(band)= 0.006489 trlgG= -0.030423 logG= -0.031259 TDE= -0.266785 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019629 tlogG= -0.012643 logG= -0.032272 Density= 0.289724 ETOT(band)= 0.015017 trlgG= -0.023428 logG= -0.032272 TDE= -0.269136 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009674 tlogG= -0.005149 logG= -0.014823 Density= 0.139965 ETOT(band)= 0.002947 trlgG= -0.014887 logG= -0.014823 TDE= -0.134356 logGD-logG0= -0.019440 tlogG= -0.011808 logG= -0.031248 Density= 0.280258 ETOT(band)= 0.004450 trlgG= -0.032933 logG= -0.031248 TDE= -0.270583 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019327 tlogG= -0.009985 logG= -0.029312 Density= 0.267137 ETOT(band)= -0.006116 trlgG= -0.041026 logG= -0.029312 TDE= -0.268024 logGD-logG0= -0.019379 tlogG= -0.011044 logG= -0.030423 Density= 0.278048 ETOT(band)= 0.003631 trlgG= -0.032746 logG= -0.030423 TDE= -0.269100 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019235 tlogG= -0.010437 logG= -0.029672 Density= 0.274637 ETOT(band)= 0.002191 trlgG= -0.033287 logG= -0.029672 TDE= -0.267120 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019278 tlogG= -0.010504 logG= -0.029782 Density= 0.272182 ETOT(band)= -0.001902 trlgG= -0.037376 logG= -0.029782 TDE= -0.268744 logGD-logG0= -0.009833 tlogG= -0.005918 logG= -0.015750 Density= 0.143996 ETOT(band)= 0.006424 trlgG= -0.012403 logG= -0.015750 TDE= -0.134812 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009614 tlogG= -0.005084 logG= -0.014698 Density= 0.136387 ETOT(band)= -0.000475 trlgG= -0.017883 logG= -0.014698 TDE= -0.134043 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009625 tlogG= -0.005443 logG= -0.015068 Density= 0.135817 ETOT(band)= -0.001332 trlgG= -0.019138 logG= -0.015068 TDE= -0.134382 logGD-logG0= -0.009634 tlogG= -0.005221 logG= -0.014855 Density= 0.136838 ETOT(band)= -0.000149 trlgG= -0.017805 logG= -0.014855 TDE= -0.134241 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004815 tlogG= -0.002629 logG= -0.007445 Density= 0.068614 ETOT(band)= 0.000059 trlgG= -0.008833 logG= -0.007445 TDE= -0.067221 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002448 tlogG= -0.001852 logG= -0.004300 Density= 0.036972 ETOT(band)= 0.002621 trlgG= -0.002474 logG= -0.004300 TDE= -0.033647 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009370 tlogG= -0.008765 logG= -0.018135 Density= 0.139536 ETOT(band)= 0.003789 trlgG= -0.016806 logG= -0.018135 TDE= -0.132552 logGD-logG0= -0.009421 tlogG= -0.007700 logG= -0.017121 Density= 0.138670 ETOT(band)= 0.002972 trlgG= -0.016552 logG= -0.017121 TDE= -0.132481 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002391 tlogG= -0.001958 logG= -0.004349 Density= 0.035834 ETOT(band)= 0.001797 trlgG= -0.003222 logG= -0.004349 TDE= -0.033255 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009469 tlogG= -0.007358 logG= -0.016827 Density= 0.137646 ETOT(band)= 0.001701 trlgG= -0.017681 logG= -0.016827 TDE= -0.132921 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009715 tlogG= -0.007132 logG= -0.016847 Density= 0.145015 ETOT(band)= 0.008532 trlgG= -0.011157 logG= -0.016847 TDE= -0.133447 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009402 tlogG= -0.007928 logG= -0.017330 Density= 0.138937 ETOT(band)= 0.003351 trlgG= -0.016432 logG= -0.017330 TDE= -0.132407 logGD-logG0= -0.009432 tlogG= -0.008383 logG= -0.017815 Density= 0.140971 ETOT(band)= 0.005151 trlgG= -0.015263 logG= -0.017815 TDE= -0.132705 logGD-logG0= -0.004702 tlogG= -0.003997 logG= -0.008698 logGD-logG0= -0.009483 tlogG= -0.007278 logG= -0.016761 Density= 0.141083 ETOT(band)= 0.005330 trlgG= -0.014128 logG= -0.016761 TDE= -0.132731 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.069991 ETOT(band)= 0.002194 trlgG= -0.007760 logG= -0.008698 TDE= -0.066216 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009639 tlogG= -0.005274 logG= -0.014913 Density= 0.133903 ETOT(band)= -0.001766 trlgG= -0.019488 logG= -0.014913 TDE= -0.133050 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009473 tlogG= -0.006835 logG= -0.016308 Density= 0.139423 ETOT(band)= 0.003989 trlgG= -0.014930 logG= -0.016308 TDE= -0.132393 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018847 tlogG= -0.015663 logG= -0.034510 Density= 0.280605 ETOT(band)= 0.009281 trlgG= -0.030292 logG= -0.034510 TDE= -0.265012 logGD-logG0= -0.019182 tlogG= -0.013138 logG= -0.032320 Density= 0.284842 ETOT(band)= 0.012855 trlgG= -0.025221 logG= -0.032320 TDE= -0.266198 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009368 tlogG= -0.008995 logG= -0.018364 Density= 0.139728 ETOT(band)= 0.003978 trlgG= -0.016914 logG= -0.018364 TDE= -0.132615 logGD-logG0= -0.009665 tlogG= -0.004969 logG= -0.014634 Density= 0.130870 ETOT(band)= -0.004587 trlgG= -0.021956 logG= -0.014634 TDE= -0.132887 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009841 tlogG= -0.006660 logG= -0.016501 Density= 0.145866 ETOT(band)= 0.008964 trlgG= -0.010689 logG= -0.016501 TDE= -0.134142 logGD-logG0= -0.004795 tlogG= -0.002800 logG= -0.007595 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.068408 ETOT(band)= 0.000788 trlgG= -0.008202 logG= -0.007595 TDE= -0.066242 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009527 tlogG= -0.007480 logG= -0.017007 Density= 0.142583 ETOT(band)= 0.006642 trlgG= -0.013063 logG= -0.017007 TDE= -0.132859 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018958 tlogG= -0.013877 logG= -0.032835 Density= 0.277706 ETOT(band)= 0.006376 trlgG= -0.031590 logG= -0.032835 TDE= -0.265204 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009696 tlogG= -0.005644 logG= -0.015340 Density= 0.141423 ETOT(band)= 0.005369 trlgG= -0.013013 logG= -0.015340 TDE= -0.133363 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019126 tlogG= -0.011601 logG= -0.030727 Density= 0.276906 ETOT(band)= 0.005844 trlgG= -0.030582 logG= -0.030727 TDE= -0.265537 logGD-logG0= -0.009507 tlogG= -0.006618 logG= -0.016125 Density= 0.140880 ETOT(band)= 0.005376 trlgG= -0.013553 logG= -0.016125 TDE= -0.132597 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002344 tlogG= -0.002332 logG= -0.004676 Density= 0.034906 ETOT(band)= 0.000963 trlgG= -0.004359 logG= -0.004676 TDE= -0.033173 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009524 tlogG= -0.006302 logG= -0.015826 Density= 0.137434 ETOT(band)= 0.001684 trlgG= -0.016981 logG= -0.015826 TDE= -0.133018 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003113 tlogG= 0.069160 logG= 0.066046 Density= 0.045888 ETOT(band)= 0.000662 trlgG= 0.065856 logG= 0.066046 TDE= -0.044218 logGD-logG0= -0.002336 tlogG= 0.051889 logG= 0.049553 Density= 0.034479 ETOT(band)= 0.000548 trlgG= 0.049469 logG= 0.049553 TDE= -0.033167 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003143 tlogG= 0.069843 logG= 0.066699 Density= 0.046315 ETOT(band)= 0.001090 trlgG= 0.066977 logG= 0.066699 TDE= -0.044159 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003124 tlogG= 0.069444 logG= 0.066320 Density= 0.046243 ETOT(band)= 0.000989 trlgG= 0.066482 logG= 0.066320 TDE= -0.044207 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009366 tlogG= 0.208349 logG= 0.198984 Density= 0.138696 ETOT(band)= 0.002994 trlgG= 0.199414 logG= 0.198984 TDE= -0.132644 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009401 tlogG= 0.209050 logG= 0.199649 Density= 0.139203 ETOT(band)= 0.003524 trlgG= 0.200645 logG= 0.199649 TDE= -0.132564 logGD-logG0= -0.004675 tlogG= 0.103992 logG= 0.099317 Density= 0.069204 ETOT(band)= 0.001330 trlgG= 0.099391 logG= 0.099317 TDE= -0.066324 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.53602132268047 eV TrLogG= -13.8968891931399 eV Ratio to renormalize= 0.999999999718 rho-rho_expected= 0.000000004511 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 28) Finished k-point number 29 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 91) Finished k-point number 92 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 46) Finished k-point number 47 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 94) Finished k-point number 95 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931410080214960 0.927990145232058 7) Finished k-point number 8 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 13) Finished k-point number 14 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 50) Finished k-point number 51 1 with #bands= 20 8) Finished k-point number 9 1 with #bands= 26 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 85) Finished k-point number 86 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 102) Finished k-point number 103 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 78) Finished k-point number 79 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0541974012870 Density= 16.0019741874133 16.0000000000000 EF 12.7820835691734 Density= 15.3637866192265 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95946590 0.93946590 0.197419E-02 -0.636213 1 0.95940403 0.93946590 0.265688E-03 -0.636213 2 0.95939441 0.95940403 -0.166005E-07 0.265688E-03 3 0.95939441 0.95939441 0.108002E-11 -0.166005E-07 Absolute convergence of |F(X)|. Difference in EF= -0.0009726043 EF set to : 13.0532247970 new EF (no-mixing): 13.0532247970 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001214 tlogG= -0.001238 logG= -0.002453 Density= 0.018973 ETOT(band)= 0.001229 trlgG= -0.001631 logG= -0.002453 TDE= -0.017381 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009689 tlogG= -0.009446 logG= -0.019135 Density= 0.151670 ETOT(band)= 0.010079 trlgG= -0.012323 logG= -0.019135 TDE= -0.138699 logGD-logG0= -0.002421 tlogG= -0.002382 logG= -0.004803 Density= 0.037891 ETOT(band)= 0.002548 trlgG= -0.003074 logG= -0.004803 TDE= -0.034624 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004841 tlogG= -0.004576 logG= -0.009417 Density= 0.075806 ETOT(band)= 0.005117 trlgG= -0.005934 logG= -0.009417 TDE= -0.069246 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002426 tlogG= -0.002059 logG= -0.004485 Density= 0.037407 ETOT(band)= 0.002548 trlgG= -0.002800 logG= -0.004485 TDE= -0.034203 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001584 tlogG= -0.001308 logG= -0.002892 Density= 0.022789 ETOT(band)= -0.000156 trlgG= -0.003498 logG= -0.002892 TDE= -0.022470 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009717 tlogG= -0.007982 logG= -0.017699 Density= 0.150446 ETOT(band)= 0.010371 trlgG= -0.010706 logG= -0.017699 TDE= -0.137345 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009741 tlogG= -0.006613 logG= -0.016354 Density= 0.143862 ETOT(band)= 0.004982 trlgG= -0.014586 logG= -0.016354 TDE= -0.136252 logGD-logG0= -0.009720 tlogG= -0.008588 logG= -0.018308 Density= 0.150669 ETOT(band)= 0.010475 trlgG= -0.011231 logG= -0.018308 TDE= -0.137474 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004861 tlogG= -0.004155 logG= -0.009015 Density= 0.075439 ETOT(band)= 0.005124 trlgG= -0.005589 logG= -0.009015 TDE= -0.068950 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009731 tlogG= -0.008720 logG= -0.018451 Density= 0.151151 ETOT(band)= 0.010501 trlgG= -0.011307 logG= -0.018451 TDE= -0.137870 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009693 tlogG= -0.007724 logG= -0.017416 Density= 0.149786 ETOT(band)= 0.010760 trlgG= -0.009999 logG= -0.017416 TDE= -0.136286 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019412 tlogG= -0.014624 logG= -0.034037 logGD-logG0= -0.019432 tlogG= -0.015743 logG= -0.035176 Density= 0.301051 ETOT(band)= 0.020671 trlgG= -0.021267 logG= -0.035176 TDE= -0.274918 Density= 0.298972 ETOT(band)= 0.020667 trlgG= -0.019932 logG= -0.034037 TDE= -0.272728 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009732 tlogG= -0.006564 logG= -0.016296 Density= 0.147175 ETOT(band)= 0.008343 trlgG= -0.011228 logG= -0.016296 TDE= -0.136131 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003143 tlogG= -0.002536 logG= -0.005679 Density= 0.045636 ETOT(band)= 0.000097 trlgG= -0.006450 logG= -0.005679 TDE= -0.044554 logGD-logG0= -0.003161 tlogG= -0.002509 logG= -0.005669 Density= 0.045396 ETOT(band)= -0.000319 trlgG= -0.006929 logG= -0.005669 TDE= -0.044812 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003115 tlogG= -0.002586 logG= -0.005700 Density= 0.045911 ETOT(band)= 0.000607 trlgG= -0.005882 logG= -0.005700 TDE= -0.044229 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009493 tlogG= -0.007403 logG= -0.016896 Density= 0.136810 ETOT(band)= -0.000623 trlgG= -0.020374 logG= -0.016896 TDE= -0.134733 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009486 tlogG= -0.007318 logG= -0.016804 Density= 0.136676 ETOT(band)= -0.000571 trlgG= -0.020247 logG= -0.016804 TDE= -0.134569 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009501 tlogG= -0.006605 logG= -0.016106 Density= 0.137933 ETOT(band)= 0.000764 trlgG= -0.018311 logG= -0.016106 TDE= -0.134538 logGD-logG0= -0.009415 tlogG= -0.007309 logG= -0.016723 Density= 0.137405 ETOT(band)= 0.001135 trlgG= -0.018181 logG= -0.016723 TDE= -0.133283 logGD-logG0= -0.009471 tlogG= -0.007244 logG= -0.016715 Density= 0.136720 ETOT(band)= -0.000182 trlgG= -0.019737 logG= -0.016715 TDE= -0.134190 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009797 tlogG= -0.007074 logG= -0.016871 Density= 0.147544 ETOT(band)= 0.009073 trlgG= -0.011103 logG= -0.016871 TDE= -0.135785 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009736 tlogG= -0.007486 logG= -0.017222 Density= 0.148838 ETOT(band)= 0.010638 trlgG= -0.009907 logG= -0.017222 TDE= -0.135480 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009509 tlogG= -0.006572 logG= -0.016082 logGD-logG0= -0.009762 tlogG= -0.006461 logG= -0.016223 Density= 0.137877 ETOT(band)= 0.000788 trlgG= -0.018297 logG= -0.016082 TDE= -0.134494 Density= 0.142560 ETOT(band)= 0.004379 trlgG= -0.014941 logG= -0.016223 TDE= -0.135489 logGD-logG0= -0.009594 tlogG= -0.006305 logG= -0.015899 Density= 0.140300 ETOT(band)= 0.003387 trlgG= -0.015355 logG= -0.015899 TDE= -0.134059 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009475 tlogG= -0.006476 logG= -0.015951 Density= 0.137690 ETOT(band)= 0.001017 trlgG= -0.017848 logG= -0.015951 TDE= -0.133996 logGD-logG0= -0.009449 tlogG= -0.007272 logG= -0.016721 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136957 ETOT(band)= 0.000230 trlgG= -0.019244 logG= -0.016721 TDE= -0.133919 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009556 tlogG= -0.005888 logG= -0.015444 Density= 0.138073 ETOT(band)= 0.001020 trlgG= -0.017387 logG= -0.015444 TDE= -0.134409 logGD-logG0= -0.009444 tlogG= -0.006766 logG= -0.016210 Density= 0.139081 ETOT(band)= 0.003006 trlgG= -0.015837 logG= -0.016210 TDE= -0.133060 logGD-logG0= -0.004798 tlogG= -0.003072 logG= -0.007870 Density= 0.067569 ETOT(band)= -0.001257 trlgG= -0.010562 logG= -0.007870 TDE= -0.067518 logGD-logG0= -0.009497 tlogG= -0.006788 logG= -0.016284 Density= 0.138522 ETOT(band)= 0.001726 trlgG= -0.017310 logG= -0.016284 TDE= -0.133923 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004811 tlogG= -0.002549 logG= -0.007360 Density= 0.065439 ETOT(band)= -0.002621 trlgG= -0.011276 logG= -0.007360 TDE= -0.066698 logGD-logG0= -0.009586 tlogG= -0.005577 logG= -0.015163 Density= 0.133708 ETOT(band)= -0.003148 trlgG= -0.021133 logG= -0.015163 TDE= -0.134249 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009662 tlogG= -0.006525 logG= -0.016188 Density= 0.143580 ETOT(band)= 0.006852 trlgG= -0.012268 logG= -0.016188 TDE= -0.133831 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009538 tlogG= -0.005566 logG= -0.015104 logGD-logG0= -0.009572 tlogG= -0.006087 logG= -0.015659 Density= 0.138665 ETOT(band)= 0.001580 trlgG= -0.016966 logG= -0.015659 TDE= -0.134341 Density= 0.136810 ETOT(band)= 0.000291 trlgG= -0.017770 logG= -0.015104 TDE= -0.133920 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009495 tlogG= -0.006804 logG= -0.016298 Density= 0.137547 ETOT(band)= 0.000311 trlgG= -0.018972 logG= -0.016298 TDE= -0.134635 logGD-logG0= -0.009602 tlogG= -0.005967 logG= -0.015569 Density= 0.135799 ETOT(band)= -0.001517 trlgG= -0.019974 logG= -0.015569 TDE= -0.134689 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019579 tlogG= -0.012664 logG= -0.032244 Density= 0.285257 ETOT(band)= 0.008384 trlgG= -0.030161 logG= -0.032244 TDE= -0.271592 logGD-logG0= -0.009812 tlogG= -0.006464 logG= -0.016276 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.143150 ETOT(band)= 0.004426 trlgG= -0.015048 logG= -0.016276 TDE= -0.136109 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019193 tlogG= -0.010747 logG= -0.029940 Density= 0.271289 ETOT(band)= -0.002204 trlgG= -0.037992 logG= -0.029940 TDE= -0.268325 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019101 tlogG= -0.012011 logG= -0.031113 Density= 0.278309 ETOT(band)= 0.004117 trlgG= -0.033061 logG= -0.031113 TDE= -0.268956 logGD-logG0= -0.019014 tlogG= -0.012249 logG= -0.031263 Density= 0.278924 ETOT(band)= 0.006469 trlgG= -0.030445 logG= -0.031263 TDE= -0.266781 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018979 tlogG= -0.013604 logG= -0.032583 Density= 0.275265 ETOT(band)= 0.001251 trlgG= -0.037169 logG= -0.032583 TDE= -0.268674 logGD-logG0= -0.019083 tlogG= -0.011860 logG= -0.030944 Density= 0.277949 ETOT(band)= 0.004055 trlgG= -0.032909 logG= -0.030944 TDE= -0.268628 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019082 tlogG= -0.012158 logG= -0.031240 Density= 0.278105 ETOT(band)= 0.004502 trlgG= -0.032600 logG= -0.031240 TDE= -0.268172 logGD-logG0= -0.019207 tlogG= -0.011353 logG= -0.030560 Density= 0.275314 ETOT(band)= 0.001144 trlgG= -0.035239 logG= -0.030560 TDE= -0.268813 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019336 tlogG= -0.011962 logG= -0.031297 Density= 0.281436 ETOT(band)= 0.006877 trlgG= -0.030462 logG= -0.031297 TDE= -0.269173 logGD-logG0= -0.019288 tlogG= -0.010073 logG= -0.029361 Density= 0.264227 ETOT(band)= -0.008164 trlgG= -0.043073 logG= -0.029361 TDE= -0.267210 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004892 tlogG= -0.003539 logG= -0.008430 Density= 0.074714 ETOT(band)= 0.004968 trlgG= -0.005114 logG= -0.008430 TDE= -0.068363 logGD-logG0= -0.018911 tlogG= -0.013663 logG= -0.032574 Density= 0.275929 ETOT(band)= 0.003075 trlgG= -0.034943 logG= -0.032574 TDE= -0.267093 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000389 tlogG= 0.008628 logG= 0.008240 logGD-logG0= -0.019299 tlogG= -0.010358 logG= -0.029657 Density= 0.278067 ETOT(band)= 0.004612 trlgG= -0.030951 logG= -0.029657 TDE= -0.268070 logGD-logG0= -0.019628 tlogG= -0.012641 logG= -0.032269 logGD-logG0= -0.009678 tlogG= -0.004831 logG= -0.014509 Density= 0.289721 ETOT(band)= 0.014995 trlgG= -0.023444 logG= -0.032269 TDE= -0.269132 Density= 0.131037 ETOT(band)= -0.005142 trlgG= -0.022397 logG= -0.014509 TDE= -0.133605 Density= 0.005721 ETOT(band)= 0.000067 trlgG= 0.008201 logG= 0.008240 TDE= -0.005527 logGD-logG0= -0.019010 tlogG= -0.011541 logG= -0.030551 Density= 0.276470 ETOT(band)= 0.003894 trlgG= -0.032480 logG= -0.030551 TDE= -0.267174 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019231 tlogG= -0.011579 logG= -0.030809 Density= 0.270005 ETOT(band)= -0.004666 trlgG= -0.041257 logG= -0.030809 TDE= -0.269490 logGD-logG0= -0.009614 tlogG= -0.005410 logG= -0.015024 Density= 0.133041 ETOT(band)= -0.003767 trlgG= -0.021555 logG= -0.015024 TDE= -0.134169 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009833 tlogG= -0.005918 logG= -0.015750 Density= 0.143993 ETOT(band)= 0.006413 trlgG= -0.012413 logG= -0.015750 TDE= -0.134809 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019379 tlogG= -0.011046 logG= -0.030424 Density= 0.278044 ETOT(band)= 0.003610 trlgG= -0.032766 logG= -0.030424 TDE= -0.269096 logGD-logG0= -0.009674 tlogG= -0.005150 logG= -0.014824 Density= 0.139960 ETOT(band)= 0.002933 trlgG= -0.014901 logG= -0.014824 TDE= -0.134354 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019441 tlogG= -0.011812 logG= -0.031252 Density= 0.280248 ETOT(band)= 0.004422 trlgG= -0.032963 logG= -0.031252 TDE= -0.270579 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019327 tlogG= -0.009984 logG= -0.029311 Density= 0.267110 ETOT(band)= -0.006161 trlgG= -0.041067 logG= -0.029311 TDE= -0.268020 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019236 tlogG= -0.010436 logG= -0.029672 Density= 0.274596 ETOT(band)= 0.002133 trlgG= -0.033342 logG= -0.029672 TDE= -0.267116 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019278 tlogG= -0.010503 logG= -0.029781 Density= 0.272175 ETOT(band)= -0.001927 trlgG= -0.037398 logG= -0.029781 TDE= -0.268740 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009634 tlogG= -0.005222 logG= -0.014856 Density= 0.136836 ETOT(band)= -0.000160 trlgG= -0.017815 logG= -0.014856 TDE= -0.134239 logGD-logG0= -0.004815 tlogG= -0.002630 logG= -0.007445 Density= 0.068614 ETOT(band)= 0.000055 trlgG= -0.008837 logG= -0.007445 TDE= -0.067220 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009624 tlogG= -0.005442 logG= -0.015067 Density= 0.135819 ETOT(band)= -0.001339 trlgG= -0.019143 logG= -0.015067 TDE= -0.134380 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009615 tlogG= -0.005086 logG= -0.014701 Density= 0.136389 ETOT(band)= -0.000482 trlgG= -0.017891 logG= -0.014701 TDE= -0.134042 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002448 tlogG= -0.001852 logG= -0.004300 Density= 0.036973 ETOT(band)= 0.002620 trlgG= -0.002475 logG= -0.004300 TDE= -0.033647 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009370 tlogG= -0.008766 logG= -0.018136 Density= 0.139537 ETOT(band)= 0.003781 trlgG= -0.016815 logG= -0.018136 TDE= -0.132550 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009467 tlogG= -0.007354 logG= -0.016821 Density= 0.137650 ETOT(band)= 0.001693 trlgG= -0.017680 logG= -0.016821 TDE= -0.132920 logGD-logG0= -0.009421 tlogG= -0.007703 logG= -0.017124 Density= 0.138672 ETOT(band)= 0.002964 trlgG= -0.016563 logG= -0.017124 TDE= -0.132480 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002344 tlogG= -0.002332 logG= -0.004676 Density= 0.034906 ETOT(band)= 0.000961 trlgG= -0.004361 logG= -0.004676 TDE= -0.033173 logGD-logG0= -0.002391 tlogG= -0.001958 logG= -0.004349 Density= 0.035834 ETOT(band)= 0.001794 trlgG= -0.003225 logG= -0.004349 TDE= -0.033255 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009402 tlogG= -0.007929 logG= -0.017331 Density= 0.138939 ETOT(band)= 0.003343 trlgG= -0.016439 logG= -0.017331 TDE= -0.132405 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009483 tlogG= -0.007278 logG= -0.016761 Density= 0.141082 ETOT(band)= 0.005321 trlgG= -0.014136 logG= -0.016761 TDE= -0.132729 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009714 tlogG= -0.007132 logG= -0.016847 Density= 0.145013 ETOT(band)= 0.008521 trlgG= -0.011166 logG= -0.016847 TDE= -0.133445 logGD-logG0= -0.004702 tlogG= -0.003996 logG= -0.008698 Density= 0.069991 ETOT(band)= 0.002189 trlgG= -0.007763 logG= -0.008698 TDE= -0.066215 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009432 tlogG= -0.008383 logG= -0.017816 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.140971 ETOT(band)= 0.005142 trlgG= -0.015272 logG= -0.017816 TDE= -0.132703 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009471 tlogG= -0.006832 logG= -0.016303 Density= 0.139421 ETOT(band)= 0.003977 trlgG= -0.014935 logG= -0.016303 TDE= -0.132392 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009524 tlogG= -0.006304 logG= -0.015828 Density= 0.137439 ETOT(band)= 0.001679 trlgG= -0.016987 logG= -0.015828 TDE= -0.133017 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009640 tlogG= -0.005275 logG= -0.014915 Density= 0.133904 ETOT(band)= -0.001774 trlgG= -0.019497 logG= -0.014915 TDE= -0.133048 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019181 tlogG= -0.013138 logG= -0.032319 Density= 0.284837 ETOT(band)= 0.012831 trlgG= -0.025241 logG= -0.032319 TDE= -0.266193 logGD-logG0= -0.004795 tlogG= -0.002799 logG= -0.007594 Density= 0.068401 ETOT(band)= 0.000776 trlgG= -0.008211 logG= -0.007594 TDE= -0.066241 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018846 tlogG= -0.015663 logG= -0.034510 Density= 0.280606 ETOT(band)= 0.009263 trlgG= -0.030308 logG= -0.034510 TDE= -0.265009 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009368 tlogG= -0.008996 logG= -0.018364 Density= 0.139729 ETOT(band)= 0.003970 trlgG= -0.016922 logG= -0.018364 TDE= -0.132613 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009665 tlogG= -0.004970 logG= -0.014635 Density= 0.130859 ETOT(band)= -0.004606 trlgG= -0.021975 logG= -0.014635 TDE= -0.132886 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009841 tlogG= -0.006660 logG= -0.016500 Density= 0.145867 ETOT(band)= 0.008957 trlgG= -0.010695 logG= -0.016500 TDE= -0.134140 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018958 tlogG= -0.013877 logG= -0.032835 Density= 0.277709 ETOT(band)= 0.006360 trlgG= -0.031605 logG= -0.032835 TDE= -0.265201 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009527 tlogG= -0.007480 logG= -0.017007 Density= 0.142582 ETOT(band)= 0.006632 trlgG= -0.013072 logG= -0.017007 TDE= -0.132858 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009696 tlogG= -0.005645 logG= -0.015340 Density= 0.141418 ETOT(band)= 0.005355 trlgG= -0.013026 logG= -0.015340 TDE= -0.133361 logGD-logG0= -0.019124 tlogG= -0.011595 logG= -0.030720 Density= 0.276894 ETOT(band)= 0.005813 trlgG= -0.030603 logG= -0.030720 TDE= -0.265534 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009508 tlogG= -0.006619 logG= -0.016127 Density= 0.140878 ETOT(band)= 0.005366 trlgG= -0.013565 logG= -0.016127 TDE= -0.132596 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003124 tlogG= 0.069438 logG= 0.066314 Density= 0.046244 ETOT(band)= 0.000986 trlgG= 0.066474 logG= 0.066314 TDE= -0.044207 logGD-logG0= -0.003143 tlogG= 0.069836 logG= 0.066694 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Density= 0.046315 ETOT(band)= 0.001086 trlgG= 0.066969 logG= 0.066694 TDE= -0.044159 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003114 tlogG= 0.069154 logG= 0.066040 Density= 0.045889 ETOT(band)= 0.000660 trlgG= 0.065848 logG= 0.066040 TDE= -0.044217 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002336 tlogG= 0.051885 logG= 0.049549 Density= 0.034480 ETOT(band)= 0.000546 trlgG= 0.049463 logG= 0.049549 TDE= -0.033166 logGD-logG0= -0.004675 tlogG= 0.103983 logG= 0.099308 Density= 0.069205 ETOT(band)= 0.001327 trlgG= 0.099379 logG= 0.099308 TDE= -0.066324 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009366 tlogG= 0.208332 logG= 0.198967 Density= 0.138699 ETOT(band)= 0.002986 trlgG= 0.199391 logG= 0.198967 TDE= -0.132642 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009403 tlogG= 0.209032 logG= 0.199629 Density= 0.139206 ETOT(band)= 0.003518 trlgG= 0.200620 logG= 0.199629 TDE= -0.132563 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.52188572034696 eV TrLogG= -13.9104250779660 eV Ratio to renormalize= 0.999999999719 rho-rho_expected= 0.000000004501 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 25) Finished k-point number 26 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 64) Finished k-point number 65 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 71) Finished k-point number 72 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 73) Finished k-point number 74 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 74) Finished k-point number 75 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 93) Finished k-point number 94 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 94) Finished k-point number 95 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931348974473122 0.927935630436397 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 16) Finished k-point number 17 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 22) Finished k-point number 23 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 18) Finished k-point number 19 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 29) Finished k-point number 30 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 68) Finished k-point number 69 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0532247970108 Density= 15.9951364233952 16.0000000000000 EF 13.3253386291244 Density= 16.5016034091115 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97939441 0.95939441 0.501603 -0.486358E-02 1 0.96939441 0.95939443 0.257817 -0.486358E-02 2 0.96439442 0.95939418 0.129585 -0.486358E-02 3 0.96189430 0.95939431 0.633206E-01 -0.486358E-02 4 0.96064430 0.95939425 0.294949E-01 -0.486358E-02 5 0.96001928 0.95939404 0.123836E-01 -0.486358E-02 6 0.95970666 0.95939414 0.377284E-02 -0.486358E-02 7 0.95957002 0.95970666 -0.197454E-05 0.377284E-02 8 0.95957009 0.95957002 0.180876E-08 -0.197454E-05 9 0.95957009 0.95957009 -0.956412E-09 0.180876E-08 10 0.95957009 0.95957009 0.180876E-08 -0.956412E-09 11 0.95957009 0.95957009 0.180876E-08 -0.956412E-09 Absolute convergence of the X interval. Difference in EF= 0.0023902226 EF set to : 13.0556150196 new EF (no-mixing): 13.0556150196 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001214 tlogG= -0.001238 logG= -0.002453 Density= 0.018971 ETOT(band)= 0.001230 trlgG= -0.001631 logG= -0.002453 TDE= -0.017382 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009690 tlogG= -0.009448 logG= -0.019138 Density= 0.151655 ETOT(band)= 0.010087 trlgG= -0.012320 logG= -0.019138 TDE= -0.138706 logGD-logG0= -0.002421 tlogG= -0.002383 logG= -0.004804 Density= 0.037887 ETOT(band)= 0.002550 trlgG= -0.003074 logG= -0.004804 TDE= -0.034626 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004841 tlogG= -0.004577 logG= -0.009417 Density= 0.075799 ETOT(band)= 0.005120 trlgG= -0.005933 logG= -0.009417 TDE= -0.069250 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002426 tlogG= -0.002060 logG= -0.004485 Density= 0.037402 ETOT(band)= 0.002548 trlgG= -0.002801 logG= -0.004485 TDE= -0.034205 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001584 tlogG= -0.001307 logG= -0.002891 Density= 0.022787 ETOT(band)= -0.000154 trlgG= -0.003495 logG= -0.002891 TDE= -0.022471 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009741 tlogG= -0.006615 logG= -0.016356 Density= 0.143873 ETOT(band)= 0.005014 trlgG= -0.014558 logG= -0.016356 TDE= -0.136259 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009718 tlogG= -0.007983 logG= -0.017701 Density= 0.150430 ETOT(band)= 0.010377 trlgG= -0.010705 logG= -0.017701 TDE= -0.137352 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009721 tlogG= -0.008589 logG= -0.018310 Density= 0.150652 ETOT(band)= 0.010480 trlgG= -0.011230 logG= -0.018310 TDE= -0.137481 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004861 tlogG= -0.004155 logG= -0.009016 Density= 0.075430 ETOT(band)= 0.005126 trlgG= -0.005589 logG= -0.009016 TDE= -0.068954 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009731 tlogG= -0.008722 logG= -0.018453 Density= 0.151135 ETOT(band)= 0.010507 trlgG= -0.011306 logG= -0.018453 TDE= -0.137878 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019433 tlogG= -0.015744 logG= -0.035177 Density= 0.301016 ETOT(band)= 0.020681 trlgG= -0.021264 logG= -0.035177 TDE= -0.274933 logGD-logG0= -0.009693 tlogG= -0.007725 logG= -0.017418 Density= 0.149769 ETOT(band)= 0.010765 trlgG= -0.009998 logG= -0.017418 TDE= -0.136293 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019413 tlogG= -0.014627 logG= -0.034040 Density= 0.298940 ETOT(band)= 0.020679 trlgG= -0.019928 logG= -0.034040 TDE= -0.272742 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009733 tlogG= -0.006565 logG= -0.016298 Density= 0.147168 ETOT(band)= 0.008357 trlgG= -0.011218 logG= -0.016298 TDE= -0.136138 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003143 tlogG= -0.002535 logG= -0.005678 Density= 0.045633 ETOT(band)= 0.000101 trlgG= -0.006445 logG= -0.005678 TDE= -0.044555 logGD-logG0= -0.003115 tlogG= -0.002585 logG= -0.005700 logGD-logG0= -0.009494 tlogG= -0.007401 logG= -0.016895 Density= 0.136800 ETOT(band)= -0.000609 trlgG= -0.020362 logG= -0.016895 TDE= -0.134737 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.045909 ETOT(band)= 0.000613 trlgG= -0.005877 logG= -0.005700 TDE= -0.044230 logGD-logG0= -0.009487 tlogG= -0.007317 logG= -0.016803 Density= 0.136667 ETOT(band)= -0.000557 trlgG= -0.020234 logG= -0.016803 TDE= -0.134573 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003161 tlogG= -0.002510 logG= -0.005671 Density= 0.045393 ETOT(band)= -0.000313 trlgG= -0.006926 logG= -0.005671 TDE= -0.044813 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009471 tlogG= -0.007245 logG= -0.016716 Density= 0.136713 ETOT(band)= -0.000167 trlgG= -0.019724 logG= -0.016716 TDE= -0.134194 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009415 tlogG= -0.007309 logG= -0.016724 Density= 0.137398 ETOT(band)= 0.001152 trlgG= -0.018168 logG= -0.016724 TDE= -0.133286 logGD-logG0= -0.009595 tlogG= -0.006308 logG= -0.015903 Density= 0.140304 ETOT(band)= 0.003412 trlgG= -0.015336 logG= -0.015903 TDE= -0.134065 logGD-logG0= -0.009798 tlogG= -0.007075 logG= -0.016873 Density= 0.147531 ETOT(band)= 0.009081 trlgG= -0.011098 logG= -0.016873 TDE= -0.135792 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009450 tlogG= -0.007274 logG= -0.016725 Density= 0.136949 ETOT(band)= 0.000246 trlgG= -0.019235 logG= -0.016725 TDE= -0.133923 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009763 tlogG= -0.006459 logG= -0.016222 Density= 0.142573 ETOT(band)= 0.004413 trlgG= -0.014909 logG= -0.016222 TDE= -0.135496 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009557 tlogG= -0.005889 logG= -0.015446 logGD-logG0= -0.009474 tlogG= -0.006474 logG= -0.015948 Density= 0.137686 ETOT(band)= 0.001034 trlgG= -0.017830 logG= -0.015948 TDE= -0.134001 Density= 0.138073 ETOT(band)= 0.001042 trlgG= -0.017369 logG= -0.015446 TDE= -0.134415 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009497 tlogG= -0.006789 logG= -0.016287 Density= 0.138518 ETOT(band)= 0.001744 trlgG= -0.017297 logG= -0.016287 TDE= -0.133928 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009511 tlogG= -0.006573 logG= -0.016084 Density= 0.137873 ETOT(band)= 0.000807 trlgG= -0.018284 logG= -0.016084 TDE= -0.134499 logGD-logG0= -0.004811 tlogG= -0.002547 logG= -0.007357 Density= 0.065429 ETOT(band)= -0.002621 trlgG= -0.011273 logG= -0.007357 TDE= -0.066700 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004798 tlogG= -0.003071 logG= -0.007869 Density= 0.067565 ETOT(band)= -0.001249 trlgG= -0.010556 logG= -0.007869 TDE= -0.067520 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009540 tlogG= -0.005570 logG= -0.015110 Density= 0.136811 ETOT(band)= 0.000315 trlgG= -0.017755 logG= -0.015110 TDE= -0.133925 logGD-logG0= -0.009587 tlogG= -0.005580 logG= -0.015167 logGD-logG0= -0.009603 tlogG= -0.005966 logG= -0.015569 Density= 0.135797 ETOT(band)= -0.001497 trlgG= -0.019955 logG= -0.015569 TDE= -0.134693 Density= 0.133697 ETOT(band)= -0.003136 trlgG= -0.021128 logG= -0.015167 TDE= -0.134253 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009495 tlogG= -0.006804 logG= -0.016299 Density= 0.137542 ETOT(band)= 0.000329 trlgG= -0.018957 logG= -0.016299 TDE= -0.134639 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019582 tlogG= -0.012666 logG= -0.032248 Density= 0.285294 ETOT(band)= 0.008462 trlgG= -0.030093 logG= -0.032248 TDE= -0.271605 logGD-logG0= -0.009501 tlogG= -0.006604 logG= -0.016105 Density= 0.137929 ETOT(band)= 0.000782 trlgG= -0.018295 logG= -0.016105 TDE= -0.134543 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009572 tlogG= -0.006088 logG= -0.015660 Density= 0.138667 ETOT(band)= 0.001603 trlgG= -0.016946 logG= -0.015660 TDE= -0.134347 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019084 tlogG= -0.011861 logG= -0.030945 Density= 0.277945 ETOT(band)= 0.004093 trlgG= -0.032876 logG= -0.030945 TDE= -0.268639 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018979 tlogG= -0.013602 logG= -0.032581 Density= 0.275254 ETOT(band)= 0.001284 trlgG= -0.037138 logG= -0.032581 TDE= -0.268683 logGD-logG0= -0.009736 tlogG= -0.007489 logG= -0.017225 Density= 0.148826 ETOT(band)= 0.010648 trlgG= -0.009903 logG= -0.017225 TDE= -0.135487 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009663 tlogG= -0.006522 logG= -0.016186 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.143588 ETOT(band)= 0.006881 trlgG= -0.012240 logG= -0.016186 TDE= -0.133837 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019014 tlogG= -0.012250 logG= -0.031264 Density= 0.278928 ETOT(band)= 0.006516 trlgG= -0.030404 logG= -0.031264 TDE= -0.266792 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019336 tlogG= -0.011964 logG= -0.031300 Density= 0.281465 ETOT(band)= 0.006945 trlgG= -0.030400 logG= -0.031300 TDE= -0.269185 logGD-logG0= -0.019287 tlogG= -0.010073 logG= -0.029360 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.264259 ETOT(band)= -0.008091 trlgG= -0.043005 logG= -0.029360 TDE= -0.267219 logGD-logG0= -0.009678 tlogG= -0.004828 logG= -0.014505 Density= 0.131060 ETOT(band)= -0.005100 trlgG= -0.022354 logG= -0.014505 TDE= -0.133610 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000389 tlogG= 0.008630 logG= 0.008241 Density= 0.005721 ETOT(band)= 0.000068 trlgG= 0.008203 logG= 0.008241 TDE= -0.005527 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018910 tlogG= -0.013652 logG= -0.032563 Density= 0.275920 ETOT(band)= 0.003111 trlgG= -0.034900 logG= -0.032563 TDE= -0.267102 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019101 tlogG= -0.012010 logG= -0.031111 Density= 0.278303 ETOT(band)= 0.004154 trlgG= -0.033026 logG= -0.031111 TDE= -0.268967 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004892 tlogG= -0.003539 logG= -0.008431 Density= 0.074708 ETOT(band)= 0.004974 trlgG= -0.005110 logG= -0.008431 TDE= -0.068367 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019207 tlogG= -0.011353 logG= -0.030560 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.275324 ETOT(band)= 0.001196 trlgG= -0.035190 logG= -0.030560 TDE= -0.268823 logGD-logG0= -0.019010 tlogG= -0.011539 logG= -0.030549 Density= 0.276468 ETOT(band)= 0.003936 trlgG= -0.032442 logG= -0.030549 TDE= -0.267184 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019083 tlogG= -0.012162 logG= -0.031245 logGD-logG0= -0.019299 tlogG= -0.010358 logG= -0.029656 logGD-logG0= -0.019628 tlogG= -0.012646 logG= -0.032274 Density= 0.278103 ETOT(band)= 0.004543 trlgG= -0.032568 logG= -0.031245 TDE= -0.268182 Density= 0.278090 ETOT(band)= 0.004676 trlgG= -0.030891 logG= -0.029656 TDE= -0.268081 Density= 0.289718 ETOT(band)= 0.015035 trlgG= -0.023414 logG= -0.032274 TDE= -0.269144 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009814 tlogG= -0.006464 logG= -0.016277 Density= 0.143172 ETOT(band)= 0.004469 trlgG= -0.015010 logG= -0.016277 TDE= -0.136116 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019231 tlogG= -0.011579 logG= -0.030810 Density= 0.269994 ETOT(band)= -0.004633 trlgG= -0.041230 logG= -0.030810 TDE= -0.269498 logGD-logG0= -0.009443 tlogG= -0.006767 logG= -0.016211 Density= 0.139079 ETOT(band)= 0.003025 trlgG= -0.015820 logG= -0.016211 TDE= -0.133065 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019378 tlogG= -0.011040 logG= -0.030418 Density= 0.278046 ETOT(band)= 0.003652 trlgG= -0.032721 logG= -0.030418 TDE= -0.269107 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019278 tlogG= -0.010502 logG= -0.029781 Density= 0.272195 ETOT(band)= -0.001865 trlgG= -0.037340 logG= -0.029781 TDE= -0.268750 logGD-logG0= -0.009833 tlogG= -0.005919 logG= -0.015751 Density= 0.144002 ETOT(band)= 0.006442 trlgG= -0.012387 logG= -0.015751 TDE= -0.134815 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019239 tlogG= -0.010437 logG= -0.029676 Density= 0.274631 ETOT(band)= 0.002210 trlgG= -0.033276 logG= -0.029676 TDE= -0.267127 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019327 tlogG= -0.009982 logG= -0.029309 Density= 0.267134 ETOT(band)= -0.006095 trlgG= -0.041004 logG= -0.029309 TDE= -0.268030 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009625 tlogG= -0.005441 logG= -0.015066 Density= 0.135815 ETOT(band)= -0.001320 trlgG= -0.019126 logG= -0.015066 TDE= -0.134384 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009611 tlogG= -0.005405 logG= -0.015016 Density= 0.133025 ETOT(band)= -0.003763 trlgG= -0.021542 logG= -0.015016 TDE= -0.134173 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002448 tlogG= -0.001852 logG= -0.004300 Density= 0.036971 ETOT(band)= 0.002623 trlgG= -0.002472 logG= -0.004300 TDE= -0.033648 logGD-logG0= -0.009674 tlogG= -0.005149 logG= -0.014823 Density= 0.139974 ETOT(band)= 0.002969 trlgG= -0.014867 logG= -0.014823 TDE= -0.134359 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009370 tlogG= -0.008765 logG= -0.018135 Density= 0.139534 ETOT(band)= 0.003800 trlgG= -0.016797 logG= -0.018135 TDE= -0.132554 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009421 tlogG= -0.007701 logG= -0.017122 Density= 0.138668 ETOT(band)= 0.002982 trlgG= -0.016544 logG= -0.017122 TDE= -0.132484 logGD-logG0= -0.004815 tlogG= -0.002629 logG= -0.007445 Density= 0.068614 ETOT(band)= 0.000065 trlgG= -0.008828 logG= -0.007445 TDE= -0.067223 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002391 tlogG= -0.001958 logG= -0.004349 Density= 0.035835 ETOT(band)= 0.001801 trlgG= -0.003219 logG= -0.004349 TDE= -0.033256 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019192 tlogG= -0.010744 logG= -0.029936 Density= 0.271290 ETOT(band)= -0.002161 trlgG= -0.037949 logG= -0.029936 TDE= -0.268335 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009432 tlogG= -0.008383 logG= -0.017815 Density= 0.140972 ETOT(band)= 0.005165 trlgG= -0.015251 logG= -0.017815 TDE= -0.132708 logGD-logG0= -0.019442 tlogG= -0.011809 logG= -0.031250 Density= 0.280274 ETOT(band)= 0.004489 trlgG= -0.032899 logG= -0.031250 TDE= -0.270591 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009468 tlogG= -0.007355 logG= -0.016822 Density= 0.137643 ETOT(band)= 0.001710 trlgG= -0.017667 logG= -0.016822 TDE= -0.132923 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009483 tlogG= -0.007278 logG= -0.016761 Density= 0.141085 ETOT(band)= 0.005345 trlgG= -0.014114 logG= -0.016761 TDE= -0.132734 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009715 tlogG= -0.007133 logG= -0.016848 Density= 0.145017 ETOT(band)= 0.008547 trlgG= -0.011144 logG= -0.016848 TDE= -0.133450 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004702 tlogG= -0.003996 logG= -0.008698 Density= 0.069990 ETOT(band)= 0.002200 trlgG= -0.007754 logG= -0.008698 TDE= -0.066217 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009402 tlogG= -0.007928 logG= -0.017330 Density= 0.138935 ETOT(band)= 0.003362 trlgG= -0.016421 logG= -0.017330 TDE= -0.132409 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009615 tlogG= -0.005084 logG= -0.014699 Density= 0.136382 ETOT(band)= -0.000468 trlgG= -0.017876 logG= -0.014699 TDE= -0.134046 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009639 tlogG= -0.005272 logG= -0.014912 Density= 0.133904 ETOT(band)= -0.001752 trlgG= -0.019474 logG= -0.014912 TDE= -0.133053 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009634 tlogG= -0.005221 logG= -0.014855 Density= 0.136841 ETOT(band)= -0.000134 trlgG= -0.017790 logG= -0.014855 TDE= -0.134244 logGD-logG0= -0.004795 tlogG= -0.002799 logG= -0.007594 logGD-logG0= -0.002344 tlogG= -0.002332 logG= -0.004676 Density= 0.068412 ETOT(band)= 0.000798 trlgG= -0.008191 logG= -0.007594 TDE= -0.066243 Density= 0.034905 ETOT(band)= 0.000966 trlgG= -0.004356 logG= -0.004676 TDE= -0.033174 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018846 tlogG= -0.015664 logG= -0.034510 Density= 0.280604 ETOT(band)= 0.009305 trlgG= -0.030269 logG= -0.034510 TDE= -0.265018 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009666 tlogG= -0.004970 logG= -0.014637 Density= 0.130887 ETOT(band)= -0.004558 trlgG= -0.021932 logG= -0.014637 TDE= -0.132890 logGD-logG0= -0.009368 tlogG= -0.008996 logG= -0.018364 Density= 0.139727 ETOT(band)= 0.003990 trlgG= -0.016904 logG= -0.018364 TDE= -0.132617 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009527 tlogG= -0.007480 logG= -0.017007 Density= 0.142585 ETOT(band)= 0.006657 trlgG= -0.013049 logG= -0.017007 TDE= -0.132863 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018958 tlogG= -0.013873 logG= -0.032831 Density= 0.277703 ETOT(band)= 0.006400 trlgG= -0.031566 logG= -0.032831 TDE= -0.265210 logGD-logG0= -0.009696 tlogG= -0.005645 logG= -0.015341 Density= 0.141432 ETOT(band)= 0.005389 trlgG= -0.012994 logG= -0.015341 TDE= -0.133367 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009524 tlogG= -0.006302 logG= -0.015826 Density= 0.137431 ETOT(band)= 0.001694 trlgG= -0.016972 logG= -0.015826 TDE= -0.133021 logGD-logG0= -0.009841 tlogG= -0.006661 logG= -0.016502 Density= 0.145866 ETOT(band)= 0.008977 trlgG= -0.010679 logG= -0.016502 TDE= -0.134146 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019125 tlogG= -0.011596 logG= -0.030721 Density= 0.276904 ETOT(band)= 0.005867 trlgG= -0.030556 logG= -0.030721 TDE= -0.265544 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009508 tlogG= -0.006619 logG= -0.016127 Density= 0.140882 ETOT(band)= 0.005392 trlgG= -0.013542 logG= -0.016127 TDE= -0.132601 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009474 tlogG= -0.006836 logG= -0.016309 Density= 0.139423 ETOT(band)= 0.004003 trlgG= -0.014919 logG= -0.016309 TDE= -0.132396 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003114 tlogG= 0.069168 logG= 0.066054 Density= 0.045886 ETOT(band)= 0.000666 trlgG= 0.065867 logG= 0.066054 TDE= -0.044218 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003124 tlogG= 0.069452 logG= 0.066328 Density= 0.046242 ETOT(band)= 0.000992 trlgG= 0.066493 logG= 0.066328 TDE= -0.044208 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003143 tlogG= 0.069850 logG= 0.066707 Density= 0.046314 ETOT(band)= 0.001093 trlgG= 0.066988 logG= 0.066707 TDE= -0.044160 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002336 tlogG= 0.051895 logG= 0.049559 Density= 0.034478 ETOT(band)= 0.000550 trlgG= 0.049477 logG= 0.049559 TDE= -0.033167 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009366 tlogG= 0.208373 logG= 0.199007 Density= 0.138694 ETOT(band)= 0.003005 trlgG= 0.199447 logG= 0.199007 TDE= -0.132646 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.019182 tlogG= -0.013139 logG= -0.032321 Density= 0.284851 ETOT(band)= 0.012888 trlgG= -0.025192 logG= -0.032321 TDE= -0.266205 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004675 tlogG= 0.104003 logG= 0.099328 Density= 0.069202 ETOT(band)= 0.001336 trlgG= 0.099407 logG= 0.099328 TDE= -0.066326 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009402 tlogG= 0.209074 logG= 0.199672 Density= 0.139201 ETOT(band)= 0.003536 trlgG= 0.200679 logG= 0.199672 TDE= -0.132567 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.55560949301401 eV TrLogG= -13.8784723064020 eV Ratio to renormalize= 0.999999999606 rho-rho_expected= 0.000000006310 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 66) Finished k-point number 67 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 73) Finished k-point number 74 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 75) Finished k-point number 76 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 96) Finished k-point number 97 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 98) Finished k-point number 99 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931408237466726 0.927988666458197 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 16) Finished k-point number 17 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 24) Finished k-point number 25 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 25) Finished k-point number 26 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 32) Finished k-point number 33 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 81) Finished k-point number 82 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 65) Finished k-point number 66 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 74) Finished k-point number 75 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 58) Finished k-point number 59 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0556150196273 Density= 16.0039613929704 16.0000000000000 EF 12.7835011875137 Density= 15.3663446838783 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95957009 0.93957009 0.396139E-02 -0.633655 1 0.95944583 0.93957009 0.531596E-03 -0.633655 2 0.95942659 0.95944583 -0.649663E-07 0.531596E-03 3 0.95942659 0.95942659 0.839506E-11 -0.649663E-07 Absolute convergence of |F(X)|. Difference in EF= -0.0019523712 EF set to : 13.0536626484 new EF (no-mixing): 13.0536626484 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001214 tlogG= -0.001238 logG= -0.002453 Density= 0.018972 ETOT(band)= 0.001229 trlgG= -0.001631 logG= -0.002453 TDE= -0.017381 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009689 tlogG= -0.009447 logG= -0.019137 Density= 0.151668 ETOT(band)= 0.010081 trlgG= -0.012322 logG= -0.019137 TDE= -0.138700 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002421 tlogG= -0.002383 logG= -0.004803 Density= 0.037890 ETOT(band)= 0.002549 trlgG= -0.003074 logG= -0.004803 TDE= -0.034624 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004841 tlogG= -0.004576 logG= -0.009417 Density= 0.075805 ETOT(band)= 0.005117 trlgG= -0.005934 logG= -0.009417 TDE= -0.069247 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002426 tlogG= -0.002059 logG= -0.004485 Density= 0.037406 ETOT(band)= 0.002548 trlgG= -0.002800 logG= -0.004485 TDE= -0.034204 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009741 tlogG= -0.006615 logG= -0.016356 Density= 0.143859 ETOT(band)= 0.004983 trlgG= -0.014586 logG= -0.016356 TDE= -0.136253 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009717 tlogG= -0.007983 logG= -0.017700 Density= 0.150444 ETOT(band)= 0.010372 trlgG= -0.010707 logG= -0.017700 TDE= -0.137347 logGD-logG0= -0.001584 tlogG= -0.001308 logG= -0.002891 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.022789 ETOT(band)= -0.000156 trlgG= -0.003497 logG= -0.002891 TDE= -0.022470 logGD-logG0= -0.009721 tlogG= -0.008588 logG= -0.018309 Density= 0.150667 ETOT(band)= 0.010476 trlgG= -0.011231 logG= -0.018309 TDE= -0.137476 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004861 tlogG= -0.004154 logG= -0.009015 Density= 0.075438 ETOT(band)= 0.005124 trlgG= -0.005589 logG= -0.009015 TDE= -0.068951 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009731 tlogG= -0.008721 logG= -0.018452 Density= 0.151149 ETOT(band)= 0.010502 trlgG= -0.011307 logG= -0.018452 TDE= -0.137872 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009693 tlogG= -0.007724 logG= -0.017417 Density= 0.149783 ETOT(band)= 0.010761 trlgG= -0.009999 logG= -0.017417 TDE= -0.136288 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019432 tlogG= -0.015742 logG= -0.035174 Density= 0.301044 ETOT(band)= 0.020671 trlgG= -0.021266 logG= -0.035174 TDE= -0.274922 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019412 tlogG= -0.014626 logG= -0.034038 Density= 0.298967 ETOT(band)= 0.020669 trlgG= -0.019932 logG= -0.034038 TDE= -0.272731 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009733 tlogG= -0.006564 logG= -0.016297 Density= 0.147175 ETOT(band)= 0.008346 trlgG= -0.011226 logG= -0.016297 TDE= -0.136133 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003161 tlogG= -0.002509 logG= -0.005670 Density= 0.045396 ETOT(band)= -0.000317 trlgG= -0.006928 logG= -0.005670 TDE= -0.044812 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009494 tlogG= -0.007404 logG= -0.016898 Density= 0.136810 ETOT(band)= -0.000619 trlgG= -0.020373 logG= -0.016898 TDE= -0.134734 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009486 tlogG= -0.007314 logG= -0.016800 Density= 0.136675 ETOT(band)= -0.000569 trlgG= -0.020240 logG= -0.016800 TDE= -0.134570 logGD-logG0= -0.003143 tlogG= -0.002535 logG= -0.005678 Density= 0.045635 ETOT(band)= 0.000097 trlgG= -0.006448 logG= -0.005678 TDE= -0.044554 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003115 tlogG= -0.002586 logG= -0.005700 Density= 0.045911 ETOT(band)= 0.000608 trlgG= -0.005882 logG= -0.005700 TDE= -0.044229 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009471 tlogG= -0.007243 logG= -0.016714 Density= 0.136719 ETOT(band)= -0.000179 trlgG= -0.019733 logG= -0.016714 TDE= -0.134191 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009501 tlogG= -0.006604 logG= -0.016104 Density= 0.137934 ETOT(band)= 0.000768 trlgG= -0.018306 logG= -0.016104 TDE= -0.134539 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009736 tlogG= -0.007487 logG= -0.017223 Density= 0.148838 ETOT(band)= 0.010641 trlgG= -0.009906 logG= -0.017223 TDE= -0.135482 logGD-logG0= -0.009475 tlogG= -0.006476 logG= -0.015951 Density= 0.137691 ETOT(band)= 0.001021 trlgG= -0.017844 logG= -0.015951 TDE= -0.133997 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009415 tlogG= -0.007310 logG= -0.016725 Density= 0.137403 ETOT(band)= 0.001138 trlgG= -0.018180 logG= -0.016725 TDE= -0.133284 logGD-logG0= -0.009762 tlogG= -0.006461 logG= -0.016223 logGD-logG0= -0.009797 tlogG= -0.007074 logG= -0.016872 Density= 0.147538 ETOT(band)= 0.009070 trlgG= -0.011106 logG= -0.016872 TDE= -0.135786 Density= 0.142564 ETOT(band)= 0.004387 trlgG= -0.014934 logG= -0.016223 TDE= -0.135491 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009594 tlogG= -0.006309 logG= -0.015903 Density= 0.140299 ETOT(band)= 0.003390 trlgG= -0.015357 logG= -0.015903 TDE= -0.134060 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004798 tlogG= -0.003072 logG= -0.007870 Density= 0.067570 ETOT(band)= -0.001254 trlgG= -0.010561 logG= -0.007870 TDE= -0.067519 logGD-logG0= -0.009556 tlogG= -0.005888 logG= -0.015444 Density= 0.138073 ETOT(band)= 0.001022 trlgG= -0.017384 logG= -0.015444 TDE= -0.134411 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009450 tlogG= -0.007276 logG= -0.016726 logGD-logG0= -0.009444 tlogG= -0.006767 logG= -0.016211 Density= 0.136956 ETOT(band)= 0.000233 trlgG= -0.019247 logG= -0.016726 TDE= -0.133920 Density= 0.139080 ETOT(band)= 0.003009 trlgG= -0.015835 logG= -0.016211 TDE= -0.133061 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009510 tlogG= -0.006574 logG= -0.016084 Density= 0.137877 ETOT(band)= 0.000791 trlgG= -0.018296 logG= -0.016084 TDE= -0.134495 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004811 tlogG= -0.002548 logG= -0.007359 logGD-logG0= -0.009538 tlogG= -0.005566 logG= -0.015103 Density= 0.065433 ETOT(band)= -0.002626 trlgG= -0.011279 logG= -0.007359 TDE= -0.066698 Density= 0.136810 ETOT(band)= 0.000295 trlgG= -0.017765 logG= -0.015103 TDE= -0.133921 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009498 tlogG= -0.006792 logG= -0.016290 Density= 0.138521 ETOT(band)= 0.001729 trlgG= -0.017313 logG= -0.016290 TDE= -0.133924 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009586 tlogG= -0.005578 logG= -0.015164 logGD-logG0= -0.009603 tlogG= -0.005967 logG= -0.015570 Density= 0.135801 ETOT(band)= -0.001511 trlgG= -0.019969 logG= -0.015570 TDE= -0.134690 Density= 0.133705 ETOT(band)= -0.003146 trlgG= -0.021133 logG= -0.015164 TDE= -0.134250 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009663 tlogG= -0.006526 logG= -0.016188 Density= 0.143583 ETOT(band)= 0.006859 trlgG= -0.012263 logG= -0.016188 TDE= -0.133832 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009571 tlogG= -0.006087 logG= -0.015658 Density= 0.138667 ETOT(band)= 0.001585 trlgG= -0.016961 logG= -0.015658 TDE= -0.134343 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009495 tlogG= -0.006799 logG= -0.016294 Density= 0.137546 ETOT(band)= 0.000315 trlgG= -0.018964 logG= -0.016294 TDE= -0.134636 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009813 tlogG= -0.006464 logG= -0.016277 Density= 0.143157 ETOT(band)= 0.004437 trlgG= -0.015039 logG= -0.016277 TDE= -0.136111 logGD-logG0= -0.019579 tlogG= -0.012666 logG= -0.032245 logGD-logG0= -0.018978 tlogG= -0.013608 logG= -0.032586 Density= 0.285260 ETOT(band)= 0.008393 trlgG= -0.030154 logG= -0.032245 TDE= -0.271595 Density= 0.275261 ETOT(band)= 0.001254 trlgG= -0.037169 logG= -0.032586 TDE= -0.268676 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019102 tlogG= -0.012011 logG= -0.031112 logGD-logG0= -0.019192 tlogG= -0.010745 logG= -0.029937 Density= 0.278309 ETOT(band)= 0.004124 trlgG= -0.033054 logG= -0.031112 TDE= -0.268958 Density= 0.271281 ETOT(band)= -0.002205 trlgG= -0.037990 logG= -0.029937 TDE= -0.268328 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019084 tlogG= -0.011866 logG= -0.030950 Density= 0.277947 ETOT(band)= 0.004061 trlgG= -0.032911 logG= -0.030950 TDE= -0.268631 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019013 tlogG= -0.012250 logG= -0.031263 Density= 0.278925 ETOT(band)= 0.006477 trlgG= -0.030439 logG= -0.031263 TDE= -0.266783 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019628 tlogG= -0.012644 logG= -0.032272 Density= 0.289719 ETOT(band)= 0.015002 trlgG= -0.023442 logG= -0.032272 TDE= -0.269135 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019336 tlogG= -0.011964 logG= -0.031299 Density= 0.281442 ETOT(band)= 0.006889 trlgG= -0.030453 logG= -0.031299 TDE= -0.269176 logGD-logG0= -0.004892 tlogG= -0.003539 logG= -0.008430 Density= 0.074713 ETOT(band)= 0.004969 trlgG= -0.005113 logG= -0.008430 TDE= -0.068364 logGD-logG0= -0.019207 tlogG= -0.011351 logG= -0.030558 Density= 0.275317 ETOT(band)= 0.001155 trlgG= -0.035227 logG= -0.030558 TDE= -0.268815 logGD-logG0= -0.019288 tlogG= -0.010074 logG= -0.029362 Density= 0.264241 ETOT(band)= -0.008143 trlgG= -0.043055 logG= -0.029362 TDE= -0.267212 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000389 tlogG= 0.008629 logG= 0.008240 Density= 0.005721 ETOT(band)= 0.000067 trlgG= 0.008202 logG= 0.008240 TDE= -0.005527 logGD-logG0= -0.019083 tlogG= -0.012160 logG= -0.031243 Density= 0.278104 ETOT(band)= 0.004508 trlgG= -0.032597 logG= -0.031243 TDE= -0.268174 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018911 tlogG= -0.013656 logG= -0.032567 Density= 0.275929 ETOT(band)= 0.003083 trlgG= -0.034928 logG= -0.032567 TDE= -0.267095 logGD-logG0= -0.019010 tlogG= -0.011540 logG= -0.030550 Density= 0.276470 ETOT(band)= 0.003902 trlgG= -0.032473 logG= -0.030550 TDE= -0.267176 logGD-logG0= -0.009677 tlogG= -0.004830 logG= -0.014508 Density= 0.131042 ETOT(band)= -0.005135 trlgG= -0.022389 logG= -0.014508 TDE= -0.133606 logGD-logG0= -0.019299 tlogG= -0.010359 logG= -0.029658 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278066 ETOT(band)= 0.004619 trlgG= -0.030946 logG= -0.029658 TDE= -0.268072 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009612 tlogG= -0.005403 logG= -0.015016 Density= 0.133027 ETOT(band)= -0.003778 trlgG= -0.021556 logG= -0.015016 TDE= -0.134170 logGD-logG0= -0.019231 tlogG= -0.011580 logG= -0.030811 Density= 0.270006 ETOT(band)= -0.004657 trlgG= -0.041251 logG= -0.030811 TDE= -0.269492 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019235 tlogG= -0.010435 logG= -0.029671 Density= 0.274617 ETOT(band)= 0.002161 trlgG= -0.033314 logG= -0.029671 TDE= -0.267118 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009674 tlogG= -0.005149 logG= -0.014823 Density= 0.139960 ETOT(band)= 0.002938 trlgG= -0.014897 logG= -0.014823 TDE= -0.134355 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009833 tlogG= -0.005918 logG= -0.015751 Density= 0.143996 ETOT(band)= 0.006419 trlgG= -0.012408 logG= -0.015751 TDE= -0.134811 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019378 tlogG= -0.011042 logG= -0.030420 Density= 0.278033 ETOT(band)= 0.003606 trlgG= -0.032766 logG= -0.030420 TDE= -0.269098 logGD-logG0= -0.019441 tlogG= -0.011810 logG= -0.031251 Density= 0.280258 ETOT(band)= 0.004439 trlgG= -0.032946 logG= -0.031251 TDE= -0.270582 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019329 tlogG= -0.009980 logG= -0.029309 Density= 0.267081 ETOT(band)= -0.006181 trlgG= -0.041086 logG= -0.029309 TDE= -0.268022 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019278 tlogG= -0.010504 logG= -0.029782 Density= 0.272182 ETOT(band)= -0.001913 trlgG= -0.037385 logG= -0.029782 TDE= -0.268742 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009624 tlogG= -0.005440 logG= -0.015064 Density= 0.135819 ETOT(band)= -0.001336 trlgG= -0.019136 logG= -0.015064 TDE= -0.134381 logGD-logG0= -0.009616 tlogG= -0.005088 logG= -0.014704 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136386 ETOT(band)= -0.000481 trlgG= -0.017894 logG= -0.014704 TDE= -0.134043 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009634 tlogG= -0.005222 logG= -0.014856 Density= 0.136838 ETOT(band)= -0.000155 trlgG= -0.017810 logG= -0.014856 TDE= -0.134240 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004815 tlogG= -0.002630 logG= -0.007445 Density= 0.068614 ETOT(band)= 0.000057 trlgG= -0.008835 logG= -0.007445 TDE= -0.067221 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002448 tlogG= -0.001852 logG= -0.004300 Density= 0.036973 ETOT(band)= 0.002620 trlgG= -0.002474 logG= -0.004300 TDE= -0.033647 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002344 tlogG= -0.002332 logG= -0.004676 Density= 0.034906 ETOT(band)= 0.000962 trlgG= -0.004360 logG= -0.004676 TDE= -0.033173 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009370 tlogG= -0.008766 logG= -0.018136 Density= 0.139537 ETOT(band)= 0.003784 trlgG= -0.016812 logG= -0.018136 TDE= -0.132551 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009467 tlogG= -0.007354 logG= -0.016821 Density= 0.137649 ETOT(band)= 0.001696 trlgG= -0.017678 logG= -0.016821 TDE= -0.132920 logGD-logG0= -0.009421 tlogG= -0.007702 logG= -0.017123 Density= 0.138672 ETOT(band)= 0.002968 trlgG= -0.016558 logG= -0.017123 TDE= -0.132481 logGD-logG0= -0.002391 tlogG= -0.001958 logG= -0.004349 Density= 0.035834 ETOT(band)= 0.001796 trlgG= -0.003224 logG= -0.004349 TDE= -0.033255 logGD-logG0= -0.009483 tlogG= -0.007277 logG= -0.016761 Density= 0.141084 ETOT(band)= 0.005326 trlgG= -0.014131 logG= -0.016761 TDE= -0.132730 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009715 tlogG= -0.007133 logG= -0.016847 Density= 0.145015 ETOT(band)= 0.008526 trlgG= -0.011162 logG= -0.016847 TDE= -0.133446 logGD-logG0= -0.009402 tlogG= -0.007930 logG= -0.017332 Density= 0.138938 ETOT(band)= 0.003347 trlgG= -0.016437 logG= -0.017332 TDE= -0.132406 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009432 tlogG= -0.008383 logG= -0.017815 Density= 0.140972 ETOT(band)= 0.005146 trlgG= -0.015268 logG= -0.017815 TDE= -0.132704 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004701 tlogG= -0.003996 logG= -0.008697 Density= 0.069991 ETOT(band)= 0.002191 trlgG= -0.007762 logG= -0.008697 TDE= -0.066215 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009525 tlogG= -0.006304 logG= -0.015828 Density= 0.137436 ETOT(band)= 0.001681 trlgG= -0.016987 logG= -0.015828 TDE= -0.133018 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009474 tlogG= -0.006838 logG= -0.016312 Density= 0.139424 ETOT(band)= 0.003985 trlgG= -0.014938 logG= -0.016312 TDE= -0.132393 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009640 tlogG= -0.005274 logG= -0.014914 Density= 0.133911 ETOT(band)= -0.001763 trlgG= -0.019486 logG= -0.014914 TDE= -0.133050 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018846 tlogG= -0.015664 logG= -0.034510 Density= 0.280606 ETOT(band)= 0.009270 trlgG= -0.030301 logG= -0.034510 TDE= -0.265011 logGD-logG0= -0.004795 tlogG= -0.002800 logG= -0.007595 Density= 0.068403 ETOT(band)= 0.000781 trlgG= -0.008209 logG= -0.007595 TDE= -0.066242 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019182 tlogG= -0.013139 logG= -0.032321 Density= 0.284841 ETOT(band)= 0.012843 trlgG= -0.025233 logG= -0.032321 TDE= -0.266196 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009368 tlogG= -0.008996 logG= -0.018364 Density= 0.139729 ETOT(band)= 0.003973 trlgG= -0.016919 logG= -0.018364 TDE= -0.132614 logGD-logG0= -0.009841 tlogG= -0.006660 logG= -0.016501 Density= 0.145868 ETOT(band)= 0.008961 trlgG= -0.010692 logG= -0.016501 TDE= -0.134141 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009527 tlogG= -0.007480 logG= -0.017007 Density= 0.142583 ETOT(band)= 0.006636 trlgG= -0.013068 logG= -0.017007 TDE= -0.132859 logGD-logG0= -0.009665 tlogG= -0.004971 logG= -0.014636 Density= 0.130867 ETOT(band)= -0.004595 trlgG= -0.021966 logG= -0.014636 TDE= -0.132887 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018958 tlogG= -0.013877 logG= -0.032835 Density= 0.277708 ETOT(band)= 0.006368 trlgG= -0.031598 logG= -0.032835 TDE= -0.265203 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009696 tlogG= -0.005645 logG= -0.015340 Density= 0.141421 ETOT(band)= 0.005362 trlgG= -0.013019 logG= -0.015340 TDE= -0.133362 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019126 tlogG= -0.011599 logG= -0.030725 Density= 0.276909 ETOT(band)= 0.005836 trlgG= -0.030588 logG= -0.030725 TDE= -0.265536 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009507 tlogG= -0.006618 logG= -0.016125 Density= 0.140879 ETOT(band)= 0.005370 trlgG= -0.013559 logG= -0.016125 TDE= -0.132597 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003143 tlogG= 0.069839 logG= 0.066696 Density= 0.046315 ETOT(band)= 0.001088 trlgG= 0.066972 logG= 0.066696 TDE= -0.044159 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003124 tlogG= 0.069441 logG= 0.066317 Density= 0.046244 ETOT(band)= 0.000987 trlgG= 0.066478 logG= 0.066317 TDE= -0.044207 logGD-logG0= -0.003114 tlogG= 0.069156 logG= 0.066043 Density= 0.045888 ETOT(band)= 0.000661 trlgG= 0.065851 logG= 0.066043 TDE= -0.044218 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002336 tlogG= 0.051887 logG= 0.049551 Density= 0.034480 ETOT(band)= 0.000547 trlgG= 0.049465 logG= 0.049551 TDE= -0.033166 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009366 tlogG= 0.208340 logG= 0.198974 Density= 0.138698 ETOT(band)= 0.002990 trlgG= 0.199401 logG= 0.198974 TDE= -0.132643 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004675 tlogG= 0.103987 logG= 0.099312 Density= 0.069205 ETOT(band)= 0.001328 trlgG= 0.099384 logG= 0.099312 TDE= -0.066324 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009402 tlogG= 0.209040 logG= 0.199638 Density= 0.139205 ETOT(band)= 0.003521 trlgG= 0.200632 logG= 0.199638 TDE= -0.132564 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.52767033749783 eV TrLogG= -13.9051808045616 eV Ratio to renormalize= 0.999999999718 rho-rho_expected= 0.000000004509 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 25) Finished k-point number 26 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 34) Finished k-point number 35 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 82) Finished k-point number 83 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 91) Finished k-point number 92 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 59) Finished k-point number 60 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 75) Finished k-point number 76 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 103) Finished k-point number 104 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931337321190591 0.927950970675680 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 21) Finished k-point number 22 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0536626484386 Density= 15.9911433259143 16.0000000000000 EF 13.3257764805522 Density= 16.4984143179971 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97942659 0.95942659 0.498414 -0.885667E-02 1 0.96942659 0.95942661 0.254377 -0.885667E-02 2 0.96442660 0.95942684 0.125927 -0.885667E-02 3 0.96192672 0.95942649 0.595182E-01 -0.885667E-02 4 0.96067661 0.95942667 0.256014E-01 -0.885667E-02 5 0.96005164 0.95942682 0.844469E-02 -0.885668E-02 6 0.95974600 0.95942682 0.292579E-05 -0.885668E-02 7 0.95974590 0.95942682 0.100650E-08 -0.885668E-02 8 0.95974590 0.95974590 -0.176123E-08 0.100650E-08 9 0.95974590 0.95974590 -0.176123E-08 0.100650E-08 Absolute convergence of the X interval. Difference in EF= 0.0043443530 EF set to : 13.0580070014 new EF (no-mixing): 13.0580070014 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001214 tlogG= -0.001239 logG= -0.002453 Density= 0.018969 ETOT(band)= 0.001231 trlgG= -0.001631 logG= -0.002453 TDE= -0.017383 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009691 tlogG= -0.009448 logG= -0.019139 Density= 0.151638 ETOT(band)= 0.010093 trlgG= -0.012318 logG= -0.019139 TDE= -0.138714 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002421 tlogG= -0.002383 logG= -0.004804 Density= 0.037883 ETOT(band)= 0.002552 trlgG= -0.003074 logG= -0.004804 TDE= -0.034627 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004841 tlogG= -0.004577 logG= -0.009418 Density= 0.075791 ETOT(band)= 0.005124 trlgG= -0.005932 logG= -0.009418 TDE= -0.069253 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002426 tlogG= -0.002060 logG= -0.004486 Density= 0.037396 ETOT(band)= 0.002548 trlgG= -0.002802 logG= -0.004486 TDE= -0.034207 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001584 tlogG= -0.001307 logG= -0.002890 Density= 0.022786 ETOT(band)= -0.000151 trlgG= -0.003493 logG= -0.002890 TDE= -0.022471 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009741 tlogG= -0.006615 logG= -0.016356 logGD-logG0= -0.009718 tlogG= -0.007984 logG= -0.017702 Density= 0.143893 ETOT(band)= 0.005056 trlgG= -0.014520 logG= -0.016356 TDE= -0.136265 Density= 0.150411 ETOT(band)= 0.010381 trlgG= -0.010705 logG= -0.017702 TDE= -0.137359 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009722 tlogG= -0.008590 logG= -0.018312 Density= 0.150633 ETOT(band)= 0.010484 trlgG= -0.011231 logG= -0.018312 TDE= -0.137488 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004861 tlogG= -0.004155 logG= -0.009016 Density= 0.075421 ETOT(band)= 0.005128 trlgG= -0.005589 logG= -0.009016 TDE= -0.068957 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009694 tlogG= -0.007726 logG= -0.017420 Density= 0.149749 ETOT(band)= 0.010769 trlgG= -0.009998 logG= -0.017420 TDE= -0.136300 logGD-logG0= -0.019434 tlogG= -0.015746 logG= -0.035180 Density= 0.300979 ETOT(band)= 0.020690 trlgG= -0.021264 logG= -0.035180 TDE= -0.274947 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009732 tlogG= -0.008723 logG= -0.018455 Density= 0.151118 ETOT(band)= 0.010513 trlgG= -0.011305 logG= -0.018455 TDE= -0.137885 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019414 tlogG= -0.014629 logG= -0.034043 Density= 0.298911 ETOT(band)= 0.020697 trlgG= -0.019919 logG= -0.034043 TDE= -0.272755 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009733 tlogG= -0.006566 logG= -0.016299 Density= 0.147159 ETOT(band)= 0.008370 trlgG= -0.011209 logG= -0.016299 TDE= -0.136145 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003161 tlogG= -0.002510 logG= -0.005671 Density= 0.045390 ETOT(band)= -0.000309 trlgG= -0.006922 logG= -0.005671 TDE= -0.044814 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009494 tlogG= -0.007402 logG= -0.016895 Density= 0.136794 ETOT(band)= -0.000594 trlgG= -0.020349 logG= -0.016895 TDE= -0.134741 logGD-logG0= -0.003143 tlogG= -0.002535 logG= -0.005678 Density= 0.045630 ETOT(band)= 0.000106 trlgG= -0.006440 logG= -0.005678 TDE= -0.044556 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009486 tlogG= -0.007315 logG= -0.016802 Density= 0.136658 ETOT(band)= -0.000544 trlgG= -0.020222 logG= -0.016802 TDE= -0.134576 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003115 tlogG= -0.002585 logG= -0.005700 Density= 0.045906 ETOT(band)= 0.000618 trlgG= -0.005872 logG= -0.005700 TDE= -0.044231 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009472 tlogG= -0.007241 logG= -0.016713 Density= 0.136703 ETOT(band)= -0.000153 trlgG= -0.019711 logG= -0.016713 TDE= -0.134198 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009416 tlogG= -0.007310 logG= -0.016726 Density= 0.137389 ETOT(band)= 0.001167 trlgG= -0.018157 logG= -0.016726 TDE= -0.133290 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009502 tlogG= -0.006604 logG= -0.016106 Density= 0.137924 ETOT(band)= 0.000799 trlgG= -0.018282 logG= -0.016106 TDE= -0.134547 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009737 tlogG= -0.007489 logG= -0.017226 Density= 0.148810 ETOT(band)= 0.010655 trlgG= -0.009900 logG= -0.017226 TDE= -0.135493 logGD-logG0= -0.009799 tlogG= -0.007077 logG= -0.016875 Density= 0.147516 ETOT(band)= 0.009089 trlgG= -0.011095 logG= -0.016875 TDE= -0.135798 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009474 tlogG= -0.006473 logG= -0.015947 Density= 0.137680 ETOT(band)= 0.001050 trlgG= -0.017815 logG= -0.015947 TDE= -0.134005 logGD-logG0= -0.009595 tlogG= -0.006307 logG= -0.015902 Density= 0.140309 ETOT(band)= 0.003439 trlgG= -0.015311 logG= -0.015902 TDE= -0.134070 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009444 tlogG= -0.006767 logG= -0.016211 Density= 0.139076 ETOT(band)= 0.003045 trlgG= -0.015803 logG= -0.016211 TDE= -0.133069 logGD-logG0= -0.009764 tlogG= -0.006459 logG= -0.016223 logGD-logG0= -0.009510 tlogG= -0.006572 logG= -0.016082 Density= 0.142589 ETOT(band)= 0.004450 trlgG= -0.014875 logG= -0.016223 TDE= -0.135501 Density= 0.137867 ETOT(band)= 0.000823 trlgG= -0.018268 logG= -0.016082 TDE= -0.134503 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009497 tlogG= -0.006791 logG= -0.016288 Density= 0.138513 ETOT(band)= 0.001762 trlgG= -0.017282 logG= -0.016288 TDE= -0.133932 logGD-logG0= -0.004798 tlogG= -0.003071 logG= -0.007869 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.067560 ETOT(band)= -0.001243 trlgG= -0.010550 logG= -0.007869 TDE= -0.067522 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009557 tlogG= -0.005888 logG= -0.015445 Density= 0.138074 ETOT(band)= 0.001065 trlgG= -0.017348 logG= -0.015445 TDE= -0.134419 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009451 tlogG= -0.007275 logG= -0.016726 Density= 0.136941 ETOT(band)= 0.000261 trlgG= -0.019224 logG= -0.016726 TDE= -0.133926 logGD-logG0= -0.004812 tlogG= -0.002548 logG= -0.007360 Density= 0.065436 ETOT(band)= -0.002602 trlgG= -0.011259 logG= -0.007360 TDE= -0.066701 logGD-logG0= -0.009587 tlogG= -0.005575 logG= -0.015162 Density= 0.133685 ETOT(band)= -0.003125 trlgG= -0.021115 logG= -0.015162 TDE= -0.134257 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009539 tlogG= -0.005565 logG= -0.015104 Density= 0.136809 ETOT(band)= 0.000334 trlgG= -0.017731 logG= -0.015104 TDE= -0.133929 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009496 tlogG= -0.006804 logG= -0.016300 logGD-logG0= -0.009603 tlogG= -0.005965 logG= -0.015568 Density= 0.137536 ETOT(band)= 0.000346 trlgG= -0.018944 logG= -0.016300 TDE= -0.134644 Density= 0.135790 ETOT(band)= -0.001481 trlgG= -0.019941 logG= -0.015568 TDE= -0.134697 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009572 tlogG= -0.006086 logG= -0.015658 logGD-logG0= -0.009663 tlogG= -0.006525 logG= -0.016188 Density= 0.143591 ETOT(band)= 0.006906 trlgG= -0.012219 logG= -0.016188 TDE= -0.133842 Density= 0.138669 ETOT(band)= 0.001627 trlgG= -0.016922 logG= -0.015658 TDE= -0.134352 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019584 tlogG= -0.012663 logG= -0.032247 Density= 0.285330 ETOT(band)= 0.008539 trlgG= -0.030019 logG= -0.032247 TDE= -0.271616 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009815 tlogG= -0.006464 logG= -0.016279 Density= 0.143191 ETOT(band)= 0.004509 trlgG= -0.014974 logG= -0.016279 TDE= -0.136122 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019082 tlogG= -0.012159 logG= -0.031241 Density= 0.278105 ETOT(band)= 0.004589 trlgG= -0.032522 logG= -0.031241 TDE= -0.268191 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019103 tlogG= -0.012013 logG= -0.031115 Density= 0.278309 ETOT(band)= 0.004204 trlgG= -0.032986 logG= -0.031115 TDE= -0.268976 logGD-logG0= -0.018980 tlogG= -0.013602 logG= -0.032581 Density= 0.275240 ETOT(band)= 0.001317 trlgG= -0.037112 logG= -0.032581 TDE= -0.268691 logGD-logG0= -0.019192 tlogG= -0.010741 logG= -0.029933 Density= 0.271295 ETOT(band)= -0.002112 trlgG= -0.037903 logG= -0.029933 TDE= -0.268344 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004892 tlogG= -0.003540 logG= -0.008432 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019014 tlogG= -0.012245 logG= -0.031259 Density= 0.074701 ETOT(band)= 0.004978 trlgG= -0.005108 logG= -0.008432 TDE= -0.068370 Density= 0.278926 ETOT(band)= 0.006558 trlgG= -0.030363 logG= -0.031259 TDE= -0.266801 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019334 tlogG= -0.011952 logG= -0.031285 Density= 0.281480 ETOT(band)= 0.007000 trlgG= -0.030332 logG= -0.031285 TDE= -0.269196 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019286 tlogG= -0.010068 logG= -0.029355 Density= 0.264275 ETOT(band)= -0.008033 trlgG= -0.042945 logG= -0.029355 TDE= -0.267228 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009614 tlogG= -0.005406 logG= -0.015021 Density= 0.133041 ETOT(band)= -0.003722 trlgG= -0.021512 logG= -0.015021 TDE= -0.134177 logGD-logG0= -0.000389 tlogG= 0.008632 logG= 0.008243 Density= 0.005721 ETOT(band)= 0.000068 trlgG= 0.008206 logG= 0.008243 TDE= -0.005528 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019209 tlogG= -0.011353 logG= -0.030561 Density= 0.275330 ETOT(band)= 0.001247 trlgG= -0.035147 logG= -0.030561 TDE= -0.268833 logGD-logG0= -0.019082 tlogG= -0.011853 logG= -0.030935 Density= 0.277937 ETOT(band)= 0.004129 trlgG= -0.032834 logG= -0.030935 TDE= -0.268648 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018911 tlogG= -0.013653 logG= -0.032564 Density= 0.275909 ETOT(band)= 0.003147 trlgG= -0.034871 logG= -0.032564 TDE= -0.267110 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019299 tlogG= -0.010357 logG= -0.029656 logGD-logG0= -0.019443 tlogG= -0.011808 logG= -0.031252 Density= 0.278116 ETOT(band)= 0.004744 trlgG= -0.030825 logG= -0.029656 TDE= -0.268090 Density= 0.280296 ETOT(band)= 0.004554 trlgG= -0.032840 logG= -0.031252 TDE= -0.270602 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019630 tlogG= -0.012646 logG= -0.032276 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.289730 ETOT(band)= 0.015092 trlgG= -0.023364 logG= -0.032276 TDE= -0.269155 logGD-logG0= -0.009680 tlogG= -0.004828 logG= -0.014509 Density= 0.131088 ETOT(band)= -0.005051 trlgG= -0.022312 logG= -0.014509 TDE= -0.133615 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019233 tlogG= -0.011576 logG= -0.030809 Density= 0.269980 ETOT(band)= -0.004601 trlgG= -0.041203 logG= -0.030809 TDE= -0.269506 logGD-logG0= -0.019013 tlogG= -0.011534 logG= -0.030547 Density= 0.276467 ETOT(band)= 0.003981 trlgG= -0.032401 logG= -0.030547 TDE= -0.267192 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009674 tlogG= -0.005148 logG= -0.014822 Density= 0.139985 ETOT(band)= 0.003001 trlgG= -0.014836 logG= -0.014822 TDE= -0.134364 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019237 tlogG= -0.010437 logG= -0.029674 Density= 0.274700 ETOT(band)= 0.002320 trlgG= -0.033169 logG= -0.029674 TDE= -0.267138 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019279 tlogG= -0.010503 logG= -0.029782 Density= 0.272211 ETOT(band)= -0.001805 trlgG= -0.037288 logG= -0.029782 TDE= -0.268759 logGD-logG0= -0.009833 tlogG= -0.005919 logG= -0.015753 Density= 0.144008 ETOT(band)= 0.006470 trlgG= -0.012363 logG= -0.015753 TDE= -0.134821 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019381 tlogG= -0.011042 logG= -0.030423 Density= 0.278087 ETOT(band)= 0.003736 trlgG= -0.032647 logG= -0.030423 TDE= -0.269117 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019326 tlogG= -0.009982 logG= -0.029309 Density= 0.267179 ETOT(band)= -0.006008 trlgG= -0.040923 logG= -0.029309 TDE= -0.268038 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009615 tlogG= -0.005084 logG= -0.014699 Density= 0.136386 ETOT(band)= -0.000441 trlgG= -0.017852 logG= -0.014699 TDE= -0.134050 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009634 tlogG= -0.005221 logG= -0.014855 Density= 0.136844 ETOT(band)= -0.000108 trlgG= -0.017767 logG= -0.014855 TDE= -0.134248 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004815 tlogG= -0.002629 logG= -0.007444 Density= 0.068613 ETOT(band)= 0.000075 trlgG= -0.008818 logG= -0.007444 TDE= -0.067225 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009625 tlogG= -0.005440 logG= -0.015065 Density= 0.135813 ETOT(band)= -0.001300 trlgG= -0.019107 logG= -0.015065 TDE= -0.134388 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002448 tlogG= -0.001853 logG= -0.004300 Density= 0.036969 ETOT(band)= 0.002627 trlgG= -0.002470 logG= -0.004300 TDE= -0.033650 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002344 tlogG= -0.002332 logG= -0.004676 Density= 0.034905 ETOT(band)= 0.000971 trlgG= -0.004352 logG= -0.004676 TDE= -0.033175 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009421 tlogG= -0.007699 logG= -0.017120 Density= 0.138663 ETOT(band)= 0.003002 trlgG= -0.016526 logG= -0.017120 TDE= -0.132487 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002391 tlogG= -0.001958 logG= -0.004349 Density= 0.035835 ETOT(band)= 0.001807 trlgG= -0.003214 logG= -0.004349 TDE= -0.033257 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009370 tlogG= -0.008765 logG= -0.018135 Density= 0.139530 ETOT(band)= 0.003820 trlgG= -0.016780 logG= -0.018135 TDE= -0.132558 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009467 tlogG= -0.007353 logG= -0.016820 Density= 0.137636 ETOT(band)= 0.001726 trlgG= -0.017650 logG= -0.016820 TDE= -0.132926 logGD-logG0= -0.009483 tlogG= -0.007277 logG= -0.016761 Density= 0.141086 ETOT(band)= 0.005368 trlgG= -0.014093 logG= -0.016761 TDE= -0.132738 logGD-logG0= -0.009433 tlogG= -0.008383 logG= -0.017815 Density= 0.140971 ETOT(band)= 0.005187 trlgG= -0.015231 logG= -0.017815 TDE= -0.132712 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004701 tlogG= -0.003996 logG= -0.008697 Density= 0.069989 ETOT(band)= 0.002210 trlgG= -0.007744 logG= -0.008697 TDE= -0.066219 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009474 tlogG= -0.006836 logG= -0.016309 logGD-logG0= -0.009716 tlogG= -0.007134 logG= -0.016849 Density= 0.139419 ETOT(band)= 0.004022 trlgG= -0.014902 logG= -0.016309 TDE= -0.132400 Density= 0.145020 ETOT(band)= 0.008572 trlgG= -0.011122 logG= -0.016849 TDE= -0.133456 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009524 tlogG= -0.006301 logG= -0.015825 Density= 0.137423 ETOT(band)= 0.001709 trlgG= -0.016958 logG= -0.015825 TDE= -0.133025 logGD-logG0= -0.018846 tlogG= -0.015662 logG= -0.034508 Density= 0.280601 ETOT(band)= 0.009349 trlgG= -0.030229 logG= -0.034508 TDE= -0.265026 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009639 tlogG= -0.005271 logG= -0.014910 Density= 0.133900 ETOT(band)= -0.001736 trlgG= -0.019457 logG= -0.014910 TDE= -0.133057 logGD-logG0= -0.004795 tlogG= -0.002799 logG= -0.007593 logGD-logG0= -0.009402 tlogG= -0.007929 logG= -0.017331 Density= 0.068403 ETOT(band)= 0.000800 trlgG= -0.008190 logG= -0.007593 TDE= -0.066245 Density= 0.138930 ETOT(band)= 0.003382 trlgG= -0.016406 logG= -0.017331 TDE= -0.132413 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009841 tlogG= -0.006662 logG= -0.016503 Density= 0.145863 ETOT(band)= 0.008996 trlgG= -0.010663 logG= -0.016503 TDE= -0.134151 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019182 tlogG= -0.013139 logG= -0.032321 Density= 0.284860 ETOT(band)= 0.012941 trlgG= -0.025142 logG= -0.032321 TDE= -0.266215 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009368 tlogG= -0.008995 logG= -0.018363 Density= 0.139723 ETOT(band)= 0.004010 trlgG= -0.016886 logG= -0.018363 TDE= -0.132621 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009667 tlogG= -0.004967 logG= -0.014634 Density= 0.130908 ETOT(band)= -0.004516 trlgG= -0.021889 logG= -0.014634 TDE= -0.132895 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009527 tlogG= -0.007480 logG= -0.017008 Density= 0.142588 ETOT(band)= 0.006682 trlgG= -0.013027 logG= -0.017008 TDE= -0.132867 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018958 tlogG= -0.013878 logG= -0.032836 Density= 0.277694 ETOT(band)= 0.006438 trlgG= -0.031537 logG= -0.032836 TDE= -0.265217 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009696 tlogG= -0.005645 logG= -0.015341 Density= 0.141445 ETOT(band)= 0.005423 trlgG= -0.012963 logG= -0.015341 TDE= -0.133373 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009507 tlogG= -0.006618 logG= -0.016125 logGD-logG0= -0.019124 tlogG= -0.011593 logG= -0.030717 Density= 0.276885 ETOT(band)= 0.005891 trlgG= -0.030531 logG= -0.030717 TDE= -0.265552 Density= 0.140882 ETOT(band)= 0.005414 trlgG= -0.013519 logG= -0.016125 TDE= -0.132605 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003124 tlogG= 0.069465 logG= 0.066341 Density= 0.046240 ETOT(band)= 0.000998 trlgG= 0.066511 logG= 0.066341 TDE= -0.044209 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003114 tlogG= 0.069181 logG= 0.066066 logGD-logG0= -0.002336 tlogG= 0.051905 logG= 0.049569 Density= 0.034477 ETOT(band)= 0.000554 trlgG= 0.049490 logG= 0.049569 TDE= -0.033168 Density= 0.045884 ETOT(band)= 0.000672 trlgG= 0.065884 logG= 0.066066 TDE= -0.044219 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003143 tlogG= 0.069863 logG= 0.066720 Density= 0.046312 ETOT(band)= 0.001099 trlgG= 0.067007 logG= 0.066720 TDE= -0.044161 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009366 tlogG= 0.208413 logG= 0.199048 Density= 0.138688 ETOT(band)= 0.003023 trlgG= 0.199503 logG= 0.199048 TDE= -0.132650 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004675 tlogG= 0.104024 logG= 0.099350 Density= 0.069199 ETOT(band)= 0.001344 trlgG= 0.099436 logG= 0.099350 TDE= -0.066327 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009401 tlogG= 0.209114 logG= 0.199713 Density= 0.139196 ETOT(band)= 0.003554 trlgG= 0.200736 logG= 0.199713 TDE= -0.132570 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.59051865071439 eV TrLogG= -13.8451136390662 eV Ratio to renormalize= 0.999999999829 rho-rho_expected= 0.000000002743 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 8) Finished k-point number 9 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 44) Finished k-point number 45 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 32) Finished k-point number 33 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 43) Finished k-point number 44 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 35) Finished k-point number 36 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 69) Finished k-point number 70 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 74) Finished k-point number 75 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 103) Finished k-point number 104 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 92) Finished k-point number 93 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931339217515149 0.927951381913135 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 7) Finished k-point number 8 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 24) Finished k-point number 25 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 58) Finished k-point number 59 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 72) Finished k-point number 73 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 59) Finished k-point number 60 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 70) Finished k-point number 71 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0580070014054 Density= 15.9900826289253 16.0000000000000 EF 13.3301208335190 Density= 16.4891903519965 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97974590 0.95974590 0.489190 -0.991737E-02 1 0.96974590 0.95974592 0.248866 -0.991737E-02 2 0.96474591 0.95974615 0.122499 -0.991738E-02 3 0.96224603 0.95974627 0.572682E-01 -0.991737E-02 4 0.96099615 0.95974597 0.239572E-01 -0.991737E-02 5 0.96037106 0.95974636 0.709423E-02 -0.991737E-02 6 0.96010987 0.95974636 0.523321E-05 -0.991737E-02 7 0.96010968 0.95974636 0.280030E-08 -0.991737E-02 8 0.96010968 0.95974636 0.355271E-14 -0.991737E-02 Absolute convergence of |F(X)|. Difference in EF= 0.0049494959 EF set to : 13.0629564973 new EF (no-mixing): 13.0629564973 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001208 tlogG= -0.001241 logG= -0.002449 Density= 0.018978 ETOT(band)= 0.001238 trlgG= -0.001616 logG= -0.002449 TDE= -0.017388 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009636 tlogG= -0.009471 logG= -0.019108 Density= 0.151719 ETOT(band)= 0.010159 trlgG= -0.012194 logG= -0.019108 TDE= -0.138753 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002407 tlogG= -0.002389 logG= -0.004796 Density= 0.037905 ETOT(band)= 0.002570 trlgG= -0.003040 logG= -0.004796 TDE= -0.034637 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004814 tlogG= -0.004589 logG= -0.009403 Density= 0.075835 ETOT(band)= 0.005160 trlgG= -0.005866 logG= -0.009403 TDE= -0.069273 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002412 tlogG= -0.002066 logG= -0.004477 Density= 0.037447 ETOT(band)= 0.002595 trlgG= -0.002742 logG= -0.004477 TDE= -0.034217 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009666 tlogG= -0.008613 logG= -0.018279 Density= 0.150789 ETOT(band)= 0.010626 trlgG= -0.011033 logG= -0.018279 TDE= -0.137528 logGD-logG0= -0.001575 tlogG= -0.001310 logG= -0.002885 Density= 0.022778 ETOT(band)= -0.000163 trlgG= -0.003494 logG= -0.002885 TDE= -0.022478 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009663 tlogG= -0.008007 logG= -0.017670 Density= 0.150579 ETOT(band)= 0.010535 trlgG= -0.010496 logG= -0.017670 TDE= -0.137399 logGD-logG0= -0.009685 tlogG= -0.006638 logG= -0.016323 Density= 0.143812 ETOT(band)= 0.004957 trlgG= -0.014552 logG= -0.016323 TDE= -0.136305 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004834 tlogG= -0.004167 logG= -0.009000 Density= 0.075495 ETOT(band)= 0.005195 trlgG= -0.005494 logG= -0.009000 TDE= -0.068977 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019324 tlogG= -0.015792 logG= -0.035115 Density= 0.301321 ETOT(band)= 0.021003 trlgG= -0.020840 logG= -0.035115 TDE= -0.275026 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009637 tlogG= -0.007749 logG= -0.017386 Density= 0.149938 ETOT(band)= 0.010944 trlgG= -0.009769 logG= -0.017386 TDE= -0.136339 logGD-logG0= -0.009677 tlogG= -0.008746 logG= -0.018423 Density= 0.151243 ETOT(band)= 0.010623 trlgG= -0.011137 logG= -0.018423 TDE= -0.137924 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019302 tlogG= -0.014674 logG= -0.033976 Density= 0.299252 ETOT(band)= 0.021006 trlgG= -0.019496 logG= -0.033976 TDE= -0.272834 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009676 tlogG= -0.006589 logG= -0.016265 Density= 0.147254 ETOT(band)= 0.008448 trlgG= -0.011069 logG= -0.016265 TDE= -0.136184 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003144 tlogG= -0.002514 logG= -0.005658 logGD-logG0= -0.003098 tlogG= -0.002591 logG= -0.005689 Density= 0.045887 ETOT(band)= 0.000592 trlgG= -0.005876 logG= -0.005689 TDE= -0.044244 Density= 0.045383 ETOT(band)= -0.000322 trlgG= -0.006913 logG= -0.005658 TDE= -0.044828 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003126 tlogG= -0.002540 logG= -0.005666 Density= 0.045616 ETOT(band)= 0.000085 trlgG= -0.006439 logG= -0.005666 TDE= -0.044569 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009445 tlogG= -0.007419 logG= -0.016863 Density= 0.136763 ETOT(band)= -0.000644 trlgG= -0.020337 logG= -0.016863 TDE= -0.134781 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009436 tlogG= -0.007334 logG= -0.016771 Density= 0.136635 ETOT(band)= -0.000587 trlgG= -0.020202 logG= -0.016771 TDE= -0.134617 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009421 tlogG= -0.007257 logG= -0.016678 Density= 0.136683 ETOT(band)= -0.000193 trlgG= -0.019684 logG= -0.016678 TDE= -0.134238 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009365 tlogG= -0.007325 logG= -0.016690 Density= 0.137350 ETOT(band)= 0.001108 trlgG= -0.018148 logG= -0.016690 TDE= -0.133330 logGD-logG0= -0.009453 tlogG= -0.006624 logG= -0.016077 Density= 0.137904 ETOT(band)= 0.000757 trlgG= -0.018262 logG= -0.016077 TDE= -0.134587 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009680 tlogG= -0.007512 logG= -0.017192 Density= 0.148932 ETOT(band)= 0.010761 trlgG= -0.009733 logG= -0.017192 TDE= -0.135533 logGD-logG0= -0.009547 tlogG= -0.006324 logG= -0.015872 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.140293 ETOT(band)= 0.003400 trlgG= -0.015285 logG= -0.015872 TDE= -0.134111 logGD-logG0= -0.009742 tlogG= -0.007098 logG= -0.016840 Density= 0.147555 ETOT(band)= 0.009110 trlgG= -0.011009 logG= -0.016840 TDE= -0.135838 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009395 tlogG= -0.006783 logG= -0.016177 logGD-logG0= -0.009448 tlogG= -0.006804 logG= -0.016252 Density= 0.138474 ETOT(band)= 0.001700 trlgG= -0.017274 logG= -0.016252 TDE= -0.133972 Density= 0.139042 ETOT(band)= 0.002988 trlgG= -0.015797 logG= -0.016177 TDE= -0.133116 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009715 tlogG= -0.006477 logG= -0.016192 Density= 0.142509 ETOT(band)= 0.004348 trlgG= -0.014909 logG= -0.016192 TDE= -0.135541 logGD-logG0= -0.009400 tlogG= -0.007291 logG= -0.016691 logGD-logG0= -0.009426 tlogG= -0.006491 logG= -0.015916 Density= 0.136911 ETOT(band)= 0.000211 trlgG= -0.019207 logG= -0.016691 TDE= -0.133967 Density= 0.137673 ETOT(band)= 0.001023 trlgG= -0.017780 logG= -0.015916 TDE= -0.134045 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004772 tlogG= -0.003080 logG= -0.007852 Density= 0.067598 ETOT(band)= -0.001215 trlgG= -0.010490 logG= -0.007852 TDE= -0.067539 logGD-logG0= -0.009507 tlogG= -0.005903 logG= -0.015410 Density= 0.138089 ETOT(band)= 0.001056 trlgG= -0.017288 logG= -0.015410 TDE= -0.134459 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009461 tlogG= -0.006591 logG= -0.016052 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137852 ETOT(band)= 0.000785 trlgG= -0.018241 logG= -0.016052 TDE= -0.134543 logGD-logG0= -0.004785 tlogG= -0.002555 logG= -0.007340 Density= 0.065340 ETOT(band)= -0.002710 trlgG= -0.011325 logG= -0.007340 TDE= -0.066719 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009523 tlogG= -0.006103 logG= -0.015626 Density= 0.138665 ETOT(band)= 0.001599 trlgG= -0.016884 logG= -0.015626 TDE= -0.134392 logGD-logG0= -0.009615 tlogG= -0.006542 logG= -0.016157 Density= 0.143499 ETOT(band)= 0.006792 trlgG= -0.012265 logG= -0.016157 TDE= -0.133882 logGD-logG0= -0.009488 tlogG= -0.005583 logG= -0.015071 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136884 ETOT(band)= 0.000388 trlgG= -0.017616 logG= -0.015071 TDE= -0.133969 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009552 tlogG= -0.005982 logG= -0.015534 Density= 0.135873 ETOT(band)= -0.001419 trlgG= -0.019811 logG= -0.015534 TDE= -0.134731 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009534 tlogG= -0.005590 logG= -0.015123 Density= 0.133760 ETOT(band)= -0.003070 trlgG= -0.020989 logG= -0.015123 TDE= -0.134290 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009445 tlogG= -0.006815 logG= -0.016260 Density= 0.137516 ETOT(band)= 0.000303 trlgG= -0.018914 logG= -0.016260 TDE= -0.134684 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009761 tlogG= -0.006484 logG= -0.016245 Density= 0.143095 ETOT(band)= 0.004395 trlgG= -0.015020 logG= -0.016245 TDE= -0.136162 logGD-logG0= -0.019482 tlogG= -0.012699 logG= -0.032180 Density= 0.285166 ETOT(band)= 0.008336 trlgG= -0.030086 logG= -0.032180 TDE= -0.271696 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019090 tlogG= -0.010775 logG= -0.029865 Density= 0.271484 ETOT(band)= -0.001971 trlgG= -0.037634 logG= -0.029865 TDE= -0.268424 logGD-logG0= -0.018881 tlogG= -0.013636 logG= -0.032517 logGD-logG0= -0.019186 tlogG= -0.010106 logG= -0.029292 Density= 0.275198 ETOT(band)= 0.001231 trlgG= -0.037067 logG= -0.032517 TDE= -0.268771 logGD-logG0= -0.018812 tlogG= -0.013687 logG= -0.032499 Density= 0.264012 ETOT(band)= -0.008344 trlgG= -0.043119 logG= -0.029292 TDE= -0.267308 Density= 0.275848 ETOT(band)= 0.003044 trlgG= -0.034844 logG= -0.032499 TDE= -0.267190 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018987 tlogG= -0.011895 logG= -0.030882 logGD-logG0= -0.019006 tlogG= -0.012044 logG= -0.031050 Density= 0.278272 ETOT(band)= 0.004120 trlgG= -0.032935 logG= -0.031050 TDE= -0.269056 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.277932 ETOT(band)= 0.004080 trlgG= -0.032765 logG= -0.030882 TDE= -0.268728 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000387 tlogG= 0.008635 logG= 0.008248 logGD-logG0= -0.019109 tlogG= -0.011384 logG= -0.030493 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.275462 ETOT(band)= 0.001329 trlgG= -0.034932 logG= -0.030493 TDE= -0.268913 Density= 0.005718 ETOT(band)= 0.000064 trlgG= 0.008208 logG= 0.008248 TDE= -0.005529 logGD-logG0= -0.019241 tlogG= -0.011999 logG= -0.031240 Density= 0.281487 ETOT(band)= 0.006962 trlgG= -0.030257 logG= -0.031240 TDE= -0.269276 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019201 tlogG= -0.010392 logG= -0.029593 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278228 ETOT(band)= 0.004804 trlgG= -0.030634 logG= -0.029593 TDE= -0.268170 logGD-logG0= -0.018987 tlogG= -0.012193 logG= -0.031179 Density= 0.278080 ETOT(band)= 0.004518 trlgG= -0.032463 logG= -0.031179 TDE= -0.268271 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019524 tlogG= -0.012686 logG= -0.032210 logGD-logG0= -0.018911 tlogG= -0.011568 logG= -0.030479 Density= 0.276542 ETOT(band)= 0.004010 trlgG= -0.032241 logG= -0.030479 TDE= -0.267272 Density= 0.289556 ETOT(band)= 0.014876 trlgG= -0.023439 logG= -0.032210 TDE= -0.269235 logGD-logG0= -0.019128 tlogG= -0.011609 logG= -0.030737 Density= 0.270162 ETOT(band)= -0.004459 trlgG= -0.040925 logG= -0.030737 TDE= -0.269573 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004864 tlogG= -0.003551 logG= -0.008415 logGD-logG0= -0.009635 tlogG= -0.004840 logG= -0.014475 Density= 0.130932 ETOT(band)= -0.005234 trlgG= -0.022428 logG= -0.014475 TDE= -0.133661 Density= 0.074786 ETOT(band)= 0.005055 trlgG= -0.005003 logG= -0.008415 TDE= -0.068390 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018918 tlogG= -0.012281 logG= -0.031199 Density= 0.278940 ETOT(band)= 0.006524 trlgG= -0.030281 logG= -0.031199 TDE= -0.266895 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009559 tlogG= -0.005417 logG= -0.014975 Density= 0.133033 ETOT(band)= -0.003752 trlgG= -0.021459 logG= -0.014975 TDE= -0.134210 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019344 tlogG= -0.011841 logG= -0.031185 logGD-logG0= -0.019138 tlogG= -0.010468 logG= -0.029607 Density= 0.280292 ETOT(band)= 0.004506 trlgG= -0.032756 logG= -0.031185 TDE= -0.270682 Density= 0.274698 ETOT(band)= 0.002264 trlgG= -0.033097 logG= -0.029607 TDE= -0.267231 logGD-logG0= -0.009625 tlogG= -0.005165 logG= -0.014790 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.139998 ETOT(band)= 0.002988 trlgG= -0.014781 logG= -0.014790 TDE= -0.134404 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019225 tlogG= -0.010013 logG= -0.029237 Density= 0.267167 ETOT(band)= -0.006070 trlgG= -0.040846 logG= -0.029237 TDE= -0.268118 logGD-logG0= -0.019281 tlogG= -0.011076 logG= -0.030357 Density= 0.278226 ETOT(band)= 0.003827 trlgG= -0.032426 logG= -0.030357 TDE= -0.269197 logGD-logG0= -0.009779 tlogG= -0.005940 logG= -0.015719 Density= 0.143975 ETOT(band)= 0.006417 trlgG= -0.012348 logG= -0.015719 TDE= -0.134861 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019176 tlogG= -0.010534 logG= -0.029710 Density= 0.272408 ETOT(band)= -0.001659 trlgG= -0.037007 logG= -0.029710 TDE= -0.268839 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009575 tlogG= -0.005458 logG= -0.015034 logGD-logG0= -0.009584 tlogG= -0.005237 logG= -0.014822 Density= 0.135898 ETOT(band)= -0.001236 trlgG= -0.018979 logG= -0.015034 TDE= -0.134422 Density= 0.136943 ETOT(band)= -0.000034 trlgG= -0.017629 logG= -0.014822 TDE= -0.134288 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009565 tlogG= -0.005102 logG= -0.014667 Density= 0.136472 ETOT(band)= -0.000379 trlgG= -0.017729 logG= -0.014667 TDE= -0.134090 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004791 tlogG= -0.002637 logG= -0.007428 Density= 0.068645 ETOT(band)= 0.000096 trlgG= -0.008767 logG= -0.007428 TDE= -0.067245 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002434 tlogG= -0.001858 logG= -0.004292 Density= 0.036950 ETOT(band)= 0.002603 trlgG= -0.002476 logG= -0.004292 TDE= -0.033660 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002332 tlogG= -0.002337 logG= -0.004668 Density= 0.034884 ETOT(band)= 0.000945 trlgG= -0.004361 logG= -0.004668 TDE= -0.033185 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009417 tlogG= -0.007369 logG= -0.016787 Density= 0.137592 ETOT(band)= 0.001662 trlgG= -0.017650 logG= -0.016787 TDE= -0.132966 logGD-logG0= -0.009372 tlogG= -0.007717 logG= -0.017089 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.138601 ETOT(band)= 0.002918 trlgG= -0.016544 logG= -0.017089 TDE= -0.132527 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009384 tlogG= -0.008400 logG= -0.017784 Density= 0.140884 ETOT(band)= 0.005077 trlgG= -0.015273 logG= -0.017784 TDE= -0.132753 logGD-logG0= -0.009321 tlogG= -0.008782 logG= -0.018104 Density= 0.139448 ETOT(band)= 0.003716 trlgG= -0.016817 logG= -0.018104 TDE= -0.132598 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009436 tlogG= -0.007296 logG= -0.016732 Density= 0.141014 ETOT(band)= 0.005273 trlgG= -0.014128 logG= -0.016732 TDE= -0.132785 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002379 tlogG= -0.001962 logG= -0.004342 Density= 0.035804 ETOT(band)= 0.001771 trlgG= -0.003233 logG= -0.004342 TDE= -0.033268 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004677 tlogG= -0.004004 logG= -0.008682 Density= 0.069951 ETOT(band)= 0.002161 trlgG= -0.007760 logG= -0.008682 TDE= -0.066239 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009667 tlogG= -0.007152 logG= -0.016819 Density= 0.144861 ETOT(band)= 0.008391 trlgG= -0.011232 logG= -0.016819 TDE= -0.133496 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009354 tlogG= -0.007946 logG= -0.017300 Density= 0.138864 ETOT(band)= 0.003294 trlgG= -0.016428 logG= -0.017300 TDE= -0.132453 logGD-logG0= -0.009425 tlogG= -0.006853 logG= -0.016279 Density= 0.139381 ETOT(band)= 0.003962 trlgG= -0.014904 logG= -0.016279 TDE= -0.132446 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009474 tlogG= -0.006317 logG= -0.015791 Density= 0.137450 ETOT(band)= 0.001715 trlgG= -0.016889 logG= -0.015791 TDE= -0.133065 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009588 tlogG= -0.005289 logG= -0.014877 Density= 0.133802 ETOT(band)= -0.001857 trlgG= -0.019509 logG= -0.014877 TDE= -0.133097 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004769 tlogG= -0.002806 logG= -0.007575 Density= 0.068414 ETOT(band)= 0.000801 trlgG= -0.008159 logG= -0.007575 TDE= -0.066269 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018750 tlogG= -0.015697 logG= -0.034447 Density= 0.280449 ETOT(band)= 0.009151 trlgG= -0.030298 logG= -0.034447 TDE= -0.265113 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009787 tlogG= -0.006684 logG= -0.016471 Density= 0.145741 ETOT(band)= 0.008853 trlgG= -0.010735 logG= -0.016471 TDE= -0.134191 logGD-logG0= -0.009320 tlogG= -0.009012 logG= -0.018332 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.139641 ETOT(band)= 0.003906 trlgG= -0.016923 logG= -0.018332 TDE= -0.132661 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019089 tlogG= -0.013174 logG= -0.032263 Density= 0.284724 ETOT(band)= 0.012758 trlgG= -0.025205 logG= -0.032263 TDE= -0.266308 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018860 tlogG= -0.013909 logG= -0.032769 Density= 0.277618 ETOT(band)= 0.006317 trlgG= -0.031536 logG= -0.032769 TDE= -0.265311 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009622 tlogG= -0.004978 logG= -0.014600 Density= 0.130713 ETOT(band)= -0.004739 trlgG= -0.022043 logG= -0.014600 TDE= -0.132941 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009480 tlogG= -0.007498 logG= -0.016978 Density= 0.142487 ETOT(band)= 0.006558 trlgG= -0.013089 logG= -0.016978 TDE= -0.132913 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019025 tlogG= -0.011629 logG= -0.030653 Density= 0.277017 ETOT(band)= 0.005978 trlgG= -0.030332 logG= -0.030653 TDE= -0.265646 logGD-logG0= -0.009648 tlogG= -0.005663 logG= -0.015311 Density= 0.141478 ETOT(band)= 0.005431 trlgG= -0.012896 logG= -0.015311 TDE= -0.133419 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009461 tlogG= -0.006636 logG= -0.016097 Density= 0.140840 ETOT(band)= 0.005349 trlgG= -0.013526 logG= -0.016097 TDE= -0.132652 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003107 tlogG= 0.069487 logG= 0.066380 Density= 0.046213 ETOT(band)= 0.000964 trlgG= 0.066527 logG= 0.066380 TDE= -0.044222 logGD-logG0= -0.003126 tlogG= 0.069885 logG= 0.066759 Density= 0.046286 ETOT(band)= 0.001066 trlgG= 0.067023 logG= 0.066759 TDE= -0.044175 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002323 tlogG= 0.051922 logG= 0.049598 logGD-logG0= -0.003097 tlogG= 0.069203 logG= 0.066106 Density= 0.034458 ETOT(band)= 0.000531 trlgG= 0.049504 logG= 0.049598 TDE= -0.033178 Density= 0.045860 ETOT(band)= 0.000641 trlgG= 0.065904 logG= 0.066106 TDE= -0.044233 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009316 tlogG= 0.208479 logG= 0.199163 Density= 0.138611 ETOT(band)= 0.002924 trlgG= 0.199555 logG= 0.199163 TDE= -0.132690 logGD-logG0= -0.004650 tlogG= 0.104057 logG= 0.099406 Density= 0.069160 ETOT(band)= 0.001294 trlgG= 0.099460 logG= 0.099406 TDE= -0.066347 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009353 tlogG= 0.209179 logG= 0.199826 Density= 0.139116 ETOT(band)= 0.003453 trlgG= 0.200783 logG= 0.199826 TDE= -0.132610 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.55675995152439 eV TrLogG= -13.7743501180256 eV Ratio to renormalize= 0.999999999715 rho-rho_expected= 0.000000004563 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 33) Finished k-point number 34 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 66) Finished k-point number 67 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 71) Finished k-point number 72 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 55) Finished k-point number 56 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 74) Finished k-point number 75 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 98) Finished k-point number 99 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 94) Finished k-point number 95 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 89) Finished k-point number 90 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 26) Finished k-point number 27 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931359956034350 0.927971596014096 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 79) Finished k-point number 80 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 37) Finished k-point number 38 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 65) Finished k-point number 66 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 41) Finished k-point number 42 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0629564973372 Density= 16.0036162141088 16.0000000000000 EF 12.7908426652236 Density= 15.3680258786683 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96010968 0.94010968 0.361621E-02 -0.631974 1 0.95999589 0.94010968 0.527477E-03 -0.631974 2 0.95997647 0.95999589 -0.543963E-07 0.527477E-03 3 0.95997647 0.95997647 0.746070E-11 -0.543963E-07 Absolute convergence of |F(X)|. Difference in EF= -0.0018123467 EF set to : 13.0611441507 new EF (no-mixing): 13.0611441507 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001208 tlogG= -0.001241 logG= -0.002449 Density= 0.018979 ETOT(band)= 0.001237 trlgG= -0.001617 logG= -0.002449 TDE= -0.017387 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009636 tlogG= -0.009471 logG= -0.019107 Density= 0.151730 ETOT(band)= 0.010152 trlgG= -0.012197 logG= -0.019107 TDE= -0.138748 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002407 tlogG= -0.002389 logG= -0.004796 Density= 0.037908 ETOT(band)= 0.002569 trlgG= -0.003041 logG= -0.004796 TDE= -0.034636 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004814 tlogG= -0.004588 logG= -0.009402 Density= 0.075840 ETOT(band)= 0.005157 trlgG= -0.005868 logG= -0.009402 TDE= -0.069270 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002412 tlogG= -0.002065 logG= -0.004477 Density= 0.037450 ETOT(band)= 0.002595 trlgG= -0.002741 logG= -0.004477 TDE= -0.034216 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009685 tlogG= -0.006636 logG= -0.016321 logGD-logG0= -0.009666 tlogG= -0.008612 logG= -0.018278 Density= 0.150803 ETOT(band)= 0.010622 trlgG= -0.011033 logG= -0.018278 TDE= -0.137523 Density= 0.143796 ETOT(band)= 0.004926 trlgG= -0.014580 logG= -0.016321 TDE= -0.136300 logGD-logG0= -0.009662 tlogG= -0.008006 logG= -0.017668 Density= 0.150592 ETOT(band)= 0.010531 trlgG= -0.010497 logG= -0.017668 TDE= -0.137393 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001575 tlogG= -0.001310 logG= -0.002886 Density= 0.022779 ETOT(band)= -0.000165 trlgG= -0.003496 logG= -0.002886 TDE= -0.022477 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004834 tlogG= -0.004167 logG= -0.009000 Density= 0.075501 ETOT(band)= 0.005193 trlgG= -0.005495 logG= -0.009000 TDE= -0.068974 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009637 tlogG= -0.007748 logG= -0.017385 Density= 0.149951 ETOT(band)= 0.010940 trlgG= -0.009770 logG= -0.017385 TDE= -0.136334 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009677 tlogG= -0.008745 logG= -0.018421 Density= 0.151255 ETOT(band)= 0.010618 trlgG= -0.011139 logG= -0.018421 TDE= -0.137919 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019323 tlogG= -0.015790 logG= -0.035112 Density= 0.301346 ETOT(band)= 0.020994 trlgG= -0.020843 logG= -0.035112 TDE= -0.275015 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019301 tlogG= -0.014673 logG= -0.033974 Density= 0.299275 ETOT(band)= 0.020995 trlgG= -0.019501 logG= -0.033974 TDE= -0.272824 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009676 tlogG= -0.006588 logG= -0.016264 Density= 0.147260 ETOT(band)= 0.008437 trlgG= -0.011077 logG= -0.016264 TDE= -0.136179 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003144 tlogG= -0.002515 logG= -0.005658 Density= 0.045386 ETOT(band)= -0.000326 trlgG= -0.006916 logG= -0.005658 TDE= -0.044827 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003098 tlogG= -0.002591 logG= -0.005689 Density= 0.045889 ETOT(band)= 0.000588 trlgG= -0.005880 logG= -0.005689 TDE= -0.044244 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003126 tlogG= -0.002541 logG= -0.005667 Density= 0.045618 ETOT(band)= 0.000082 trlgG= -0.006443 logG= -0.005667 TDE= -0.044568 logGD-logG0= -0.009444 tlogG= -0.007418 logG= -0.016862 Density= 0.136768 ETOT(band)= -0.000657 trlgG= -0.020345 logG= -0.016862 TDE= -0.134778 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009436 tlogG= -0.007333 logG= -0.016768 Density= 0.136642 ETOT(band)= -0.000598 trlgG= -0.020209 logG= -0.016768 TDE= -0.134614 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009453 tlogG= -0.006622 logG= -0.016074 logGD-logG0= -0.009421 tlogG= -0.007259 logG= -0.016680 Density= 0.136690 ETOT(band)= -0.000204 trlgG= -0.019695 logG= -0.016680 TDE= -0.134235 Density= 0.137907 ETOT(band)= 0.000744 trlgG= -0.018271 logG= -0.016074 TDE= -0.134584 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009679 tlogG= -0.007511 logG= -0.017190 logGD-logG0= -0.009400 tlogG= -0.007291 logG= -0.016691 Density= 0.148943 ETOT(band)= 0.010756 trlgG= -0.009736 logG= -0.017190 TDE= -0.135528 Density= 0.136917 ETOT(band)= 0.000199 trlgG= -0.019217 logG= -0.016691 TDE= -0.133964 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009714 tlogG= -0.006478 logG= -0.016192 Density= 0.142497 ETOT(band)= 0.004321 trlgG= -0.014935 logG= -0.016192 TDE= -0.135537 logGD-logG0= -0.009426 tlogG= -0.006491 logG= -0.015917 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137677 ETOT(band)= 0.001010 trlgG= -0.017792 logG= -0.015917 TDE= -0.134042 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009741 tlogG= -0.007098 logG= -0.016839 Density= 0.147564 ETOT(band)= 0.009102 trlgG= -0.011014 logG= -0.016839 TDE= -0.135833 logGD-logG0= -0.009506 tlogG= -0.005903 logG= -0.015409 Density= 0.138089 ETOT(band)= 0.001039 trlgG= -0.017302 logG= -0.015409 TDE= -0.134456 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009547 tlogG= -0.006324 logG= -0.015871 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.140289 ETOT(band)= 0.003379 trlgG= -0.015304 logG= -0.015871 TDE= -0.134107 logGD-logG0= -0.009448 tlogG= -0.006804 logG= -0.016251 Density= 0.138477 ETOT(band)= 0.001686 trlgG= -0.017285 logG= -0.016251 TDE= -0.133969 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009395 tlogG= -0.006784 logG= -0.016179 Density= 0.139043 ETOT(band)= 0.002973 trlgG= -0.015813 logG= -0.016179 TDE= -0.133113 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009551 tlogG= -0.005983 logG= -0.015534 Density= 0.135873 ETOT(band)= -0.001436 trlgG= -0.019827 logG= -0.015534 TDE= -0.134728 logGD-logG0= -0.004772 tlogG= -0.003079 logG= -0.007851 Density= 0.067597 ETOT(band)= -0.001224 trlgG= -0.010498 logG= -0.007851 TDE= -0.067538 logGD-logG0= -0.009534 tlogG= -0.005593 logG= -0.015127 Density= 0.133765 ETOT(band)= -0.003081 trlgG= -0.021002 logG= -0.015127 TDE= -0.134287 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004785 tlogG= -0.002557 logG= -0.007343 Density= 0.065347 ETOT(band)= -0.002711 trlgG= -0.011329 logG= -0.007343 TDE= -0.066718 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009615 tlogG= -0.006541 logG= -0.016156 Density= 0.143493 ETOT(band)= 0.006770 trlgG= -0.012284 logG= -0.016156 TDE= -0.133878 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009364 tlogG= -0.007325 logG= -0.016689 Density= 0.137356 ETOT(band)= 0.001095 trlgG= -0.018158 logG= -0.016689 TDE= -0.133327 logGD-logG0= -0.009524 tlogG= -0.006104 logG= -0.015628 Density= 0.138663 ETOT(band)= 0.001581 trlgG= -0.016902 logG= -0.015628 TDE= -0.134388 logGD-logG0= -0.009461 tlogG= -0.006588 logG= -0.016050 Density= 0.137856 ETOT(band)= 0.000773 trlgG= -0.018251 logG= -0.016050 TDE= -0.134539 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009488 tlogG= -0.005582 logG= -0.015070 Density= 0.136882 ETOT(band)= 0.000369 trlgG= -0.017632 logG= -0.015070 TDE= -0.133966 logGD-logG0= -0.009445 tlogG= -0.006820 logG= -0.016265 Density= 0.137518 ETOT(band)= 0.000289 trlgG= -0.018931 logG= -0.016265 TDE= -0.134680 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019481 tlogG= -0.012699 logG= -0.032180 Density= 0.285145 ETOT(band)= 0.008284 trlgG= -0.030134 logG= -0.032180 TDE= -0.271687 logGD-logG0= -0.009761 tlogG= -0.006483 logG= -0.016244 Density= 0.143080 ETOT(band)= 0.004364 trlgG= -0.015047 logG= -0.016244 TDE= -0.136157 logGD-logG0= -0.018879 tlogG= -0.013637 logG= -0.032516 Density= 0.275205 ETOT(band)= 0.001202 trlgG= -0.037091 logG= -0.032516 TDE= -0.268765 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018918 tlogG= -0.012280 logG= -0.031199 Density= 0.278934 ETOT(band)= 0.006487 trlgG= -0.030315 logG= -0.031199 TDE= -0.266887 logGD-logG0= -0.019184 tlogG= -0.010102 logG= -0.029286 Density= 0.263979 ETOT(band)= -0.008410 trlgG= -0.043174 logG= -0.029286 TDE= -0.267301 logGD-logG0= -0.018986 tlogG= -0.011891 logG= -0.030877 Density= 0.277935 ETOT(band)= 0.004050 trlgG= -0.032786 logG= -0.030877 TDE= -0.268721 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019090 tlogG= -0.010777 logG= -0.029867 Density= 0.271477 ETOT(band)= -0.002011 trlgG= -0.037672 logG= -0.029867 TDE= -0.268417 logGD-logG0= -0.000387 tlogG= 0.008633 logG= 0.008247 Density= 0.005718 ETOT(band)= 0.000064 trlgG= 0.008207 logG= 0.008247 TDE= -0.005529 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019240 tlogG= -0.011996 logG= -0.031235 Density= 0.281471 ETOT(band)= 0.006915 trlgG= -0.030297 logG= -0.031235 TDE= -0.269267 logGD-logG0= -0.019005 tlogG= -0.012042 logG= -0.031047 Density= 0.278268 ETOT(band)= 0.004083 trlgG= -0.032965 logG= -0.031047 TDE= -0.269049 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019110 tlogG= -0.011387 logG= -0.030497 Density= 0.275449 ETOT(band)= 0.001284 trlgG= -0.034978 logG= -0.030497 TDE= -0.268905 logGD-logG0= -0.019524 tlogG= -0.012686 logG= -0.032209 Density= 0.289552 ETOT(band)= 0.014839 trlgG= -0.023473 logG= -0.032209 TDE= -0.269226 logGD-logG0= -0.019128 tlogG= -0.011610 logG= -0.030738 Density= 0.270169 ETOT(band)= -0.004486 trlgG= -0.040949 logG= -0.030738 TDE= -0.269567 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019201 tlogG= -0.010391 logG= -0.029591 Density= 0.278197 ETOT(band)= 0.004742 trlgG= -0.030692 logG= -0.029591 TDE= -0.268163 logGD-logG0= -0.004864 tlogG= -0.003551 logG= -0.008415 Density= 0.074790 ETOT(band)= 0.005050 trlgG= -0.005005 logG= -0.008415 TDE= -0.068387 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018812 tlogG= -0.013682 logG= -0.032495 logGD-logG0= -0.009635 tlogG= -0.004843 logG= -0.014478 Density= 0.275858 ETOT(band)= 0.003020 trlgG= -0.034861 logG= -0.032495 TDE= -0.267184 Density= 0.130912 ETOT(band)= -0.005268 trlgG= -0.022462 logG= -0.014478 TDE= -0.133657 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018986 tlogG= -0.012194 logG= -0.031180 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018913 tlogG= -0.011570 logG= -0.030483 Density= 0.278081 ETOT(band)= 0.004485 trlgG= -0.032493 logG= -0.031180 TDE= -0.268264 Density= 0.276546 ETOT(band)= 0.003982 trlgG= -0.032271 logG= -0.030483 TDE= -0.267265 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019177 tlogG= -0.010544 logG= -0.029721 Density= 0.272417 ETOT(band)= -0.001682 trlgG= -0.037039 logG= -0.029721 TDE= -0.268832 logGD-logG0= -0.019137 tlogG= -0.010469 logG= -0.029605 Density= 0.274693 ETOT(band)= 0.002227 trlgG= -0.033129 logG= -0.029605 TDE= -0.267223 logGD-logG0= -0.009559 tlogG= -0.005419 logG= -0.014978 logGD-logG0= -0.019280 tlogG= -0.011077 logG= -0.030357 Density= 0.278206 ETOT(band)= 0.003775 trlgG= -0.032475 logG= -0.030357 TDE= -0.269189 Density= 0.133043 ETOT(band)= -0.003759 trlgG= -0.021467 logG= -0.014978 TDE= -0.134207 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009779 tlogG= -0.005939 logG= -0.015718 Density= 0.143970 ETOT(band)= 0.006395 trlgG= -0.012367 logG= -0.015718 TDE= -0.134856 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009626 tlogG= -0.005166 logG= -0.014792 Density= 0.139988 ETOT(band)= 0.002963 trlgG= -0.014806 logG= -0.014792 TDE= -0.134400 logGD-logG0= -0.019224 tlogG= -0.010014 logG= -0.029237 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.267145 ETOT(band)= -0.006125 trlgG= -0.040896 logG= -0.029237 TDE= -0.268111 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019343 tlogG= -0.011842 logG= -0.031185 Density= 0.280282 ETOT(band)= 0.004464 trlgG= -0.032794 logG= -0.031185 TDE= -0.270673 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009574 tlogG= -0.005458 logG= -0.015032 Density= 0.135900 ETOT(band)= -0.001252 trlgG= -0.018990 logG= -0.015032 TDE= -0.134419 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009584 tlogG= -0.005238 logG= -0.014822 Density= 0.136940 ETOT(band)= -0.000054 trlgG= -0.017647 logG= -0.014822 TDE= -0.134285 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004791 tlogG= -0.002638 logG= -0.007428 Density= 0.068645 ETOT(band)= 0.000088 trlgG= -0.008774 logG= -0.007428 TDE= -0.067243 logGD-logG0= -0.009565 tlogG= -0.005102 logG= -0.014667 Density= 0.136474 ETOT(band)= -0.000394 trlgG= -0.017742 logG= -0.014667 TDE= -0.134087 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002434 tlogG= -0.001858 logG= -0.004292 Density= 0.036951 ETOT(band)= 0.002600 trlgG= -0.002478 logG= -0.004292 TDE= -0.033658 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002332 tlogG= -0.002337 logG= -0.004669 Density= 0.034885 ETOT(band)= 0.000942 trlgG= -0.004364 logG= -0.004669 TDE= -0.033184 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009321 tlogG= -0.008783 logG= -0.018104 Density= 0.139450 ETOT(band)= 0.003701 trlgG= -0.016830 logG= -0.018104 TDE= -0.132595 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009417 tlogG= -0.007370 logG= -0.016787 Density= 0.137597 ETOT(band)= 0.001649 trlgG= -0.017661 logG= -0.016787 TDE= -0.132964 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009372 tlogG= -0.007715 logG= -0.017086 Density= 0.138604 ETOT(band)= 0.002904 trlgG= -0.016554 logG= -0.017086 TDE= -0.132524 logGD-logG0= -0.009385 tlogG= -0.008400 logG= -0.017785 Density= 0.140884 ETOT(band)= 0.005060 trlgG= -0.015289 logG= -0.017785 TDE= -0.132749 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009436 tlogG= -0.007295 logG= -0.016731 Density= 0.141013 ETOT(band)= 0.005255 trlgG= -0.014144 logG= -0.016731 TDE= -0.132781 logGD-logG0= -0.002379 tlogG= -0.001962 logG= -0.004342 Density= 0.035804 ETOT(band)= 0.001766 trlgG= -0.003237 logG= -0.004342 TDE= -0.033267 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009667 tlogG= -0.007151 logG= -0.016819 Density= 0.144859 ETOT(band)= 0.008373 trlgG= -0.011249 logG= -0.016819 TDE= -0.133491 logGD-logG0= -0.009352 tlogG= -0.007944 logG= -0.017296 Density= 0.138867 ETOT(band)= 0.003278 trlgG= -0.016437 logG= -0.017296 TDE= -0.132450 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004678 tlogG= -0.004004 logG= -0.008682 Density= 0.069952 ETOT(band)= 0.002154 trlgG= -0.007767 logG= -0.008682 TDE= -0.066238 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009474 tlogG= -0.006316 logG= -0.015791 Density= 0.137454 ETOT(band)= 0.001703 trlgG= -0.016900 logG= -0.015791 TDE= -0.133062 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009587 tlogG= -0.005288 logG= -0.014875 Density= 0.133793 ETOT(band)= -0.001882 trlgG= -0.019530 logG= -0.014875 TDE= -0.133094 logGD-logG0= -0.009425 tlogG= -0.006853 logG= -0.016278 Density= 0.139382 ETOT(band)= 0.003945 trlgG= -0.014918 logG= -0.016278 TDE= -0.132443 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018750 tlogG= -0.015697 logG= -0.034447 Density= 0.280450 ETOT(band)= 0.009118 trlgG= -0.030328 logG= -0.034447 TDE= -0.265106 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004769 tlogG= -0.002808 logG= -0.007577 Density= 0.068416 ETOT(band)= 0.000794 trlgG= -0.008167 logG= -0.007577 TDE= -0.066267 logGD-logG0= -0.019089 tlogG= -0.013173 logG= -0.032262 logGD-logG0= -0.009320 tlogG= -0.009013 logG= -0.018332 Density= 0.284716 ETOT(band)= 0.012718 trlgG= -0.025242 logG= -0.032262 TDE= -0.266300 Density= 0.139643 ETOT(band)= 0.003890 trlgG= -0.016936 logG= -0.018332 TDE= -0.132658 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009621 tlogG= -0.004978 logG= -0.014599 Density= 0.130698 ETOT(band)= -0.004770 trlgG= -0.022070 logG= -0.014599 TDE= -0.132938 logGD-logG0= -0.018861 tlogG= -0.013914 logG= -0.032775 Density= 0.277621 ETOT(band)= 0.006285 trlgG= -0.031570 logG= -0.032775 TDE= -0.265304 logGD-logG0= -0.009480 tlogG= -0.007498 logG= -0.016978 Density= 0.142484 ETOT(band)= 0.006538 trlgG= -0.013107 logG= -0.016978 TDE= -0.132910 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009787 tlogG= -0.006683 logG= -0.016470 Density= 0.145742 ETOT(band)= 0.008838 trlgG= -0.010747 logG= -0.016470 TDE= -0.134187 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009648 tlogG= -0.005662 logG= -0.015310 Density= 0.141468 ETOT(band)= 0.005406 trlgG= -0.012920 logG= -0.015310 TDE= -0.133415 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019030 tlogG= -0.011637 logG= -0.030666 Density= 0.277032 ETOT(band)= 0.005964 trlgG= -0.030361 logG= -0.030666 TDE= -0.265639 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009460 tlogG= -0.006636 logG= -0.016095 Density= 0.140838 ETOT(band)= 0.005329 trlgG= -0.013543 logG= -0.016095 TDE= -0.132648 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003097 tlogG= 0.069193 logG= 0.066096 Density= 0.045862 ETOT(band)= 0.000637 trlgG= 0.065890 logG= 0.066096 TDE= -0.044232 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003107 tlogG= 0.069477 logG= 0.066369 Density= 0.046214 ETOT(band)= 0.000959 trlgG= 0.066512 logG= 0.066369 TDE= -0.044221 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003127 tlogG= 0.069875 logG= 0.066748 Density= 0.046287 ETOT(band)= 0.001061 trlgG= 0.067009 logG= 0.066748 TDE= -0.044174 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002323 tlogG= 0.051914 logG= 0.049591 Density= 0.034459 ETOT(band)= 0.000527 trlgG= 0.049494 logG= 0.049591 TDE= -0.033177 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009316 tlogG= 0.208449 logG= 0.199132 Density= 0.138615 ETOT(band)= 0.002910 trlgG= 0.199512 logG= 0.199132 TDE= -0.132687 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004650 tlogG= 0.104043 logG= 0.099393 Density= 0.069162 ETOT(band)= 0.001287 trlgG= 0.099441 logG= 0.099393 TDE= -0.066346 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009353 tlogG= 0.209149 logG= 0.199797 Density= 0.139119 ETOT(band)= 0.003438 trlgG= 0.200740 logG= 0.199797 TDE= -0.132607 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.53088449377082 eV TrLogG= -13.7988834760479 eV Ratio to renormalize= 0.999999999714 rho-rho_expected= 0.000000004569 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 59) Finished k-point number 60 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 60) Finished k-point number 61 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 71) Finished k-point number 72 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 88) Finished k-point number 89 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 23) Finished k-point number 24 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 20) Finished k-point number 21 1 with #bands= 26 82) Finished k-point number 83 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 90) Finished k-point number 91 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931398123304908 0.927990072868561 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0611441506515 Density= 16.0020147419225 16.0000000000000 EF 12.7890303185379 Density= 15.3662482827631 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95997647 0.93997647 0.201474E-02 -0.633752 1 0.95991309 0.93997647 0.294265E-03 -0.633752 2 0.95990226 0.95991309 -0.172043E-07 0.294265E-03 3 0.95990226 0.95990226 0.131806E-11 -0.172043E-07 Absolute convergence of |F(X)|. Difference in EF= -0.0010097408 EF set to : 13.0601344098 new EF (no-mixing): 13.0601344098 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001207 tlogG= -0.001241 logG= -0.002449 Density= 0.018980 ETOT(band)= 0.001237 trlgG= -0.001617 logG= -0.002449 TDE= -0.017387 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002407 tlogG= -0.002388 logG= -0.004796 Density= 0.037910 ETOT(band)= 0.002568 trlgG= -0.003041 logG= -0.004796 TDE= -0.034635 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009636 tlogG= -0.009471 logG= -0.019106 Density= 0.151737 ETOT(band)= 0.010149 trlgG= -0.012198 logG= -0.019106 TDE= -0.138745 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004814 tlogG= -0.004588 logG= -0.009402 Density= 0.075843 ETOT(band)= 0.005155 trlgG= -0.005868 logG= -0.009402 TDE= -0.069269 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002412 tlogG= -0.002065 logG= -0.004477 Density= 0.037453 ETOT(band)= 0.002595 trlgG= -0.002741 logG= -0.004477 TDE= -0.034215 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001575 tlogG= -0.001310 logG= -0.002885 Density= 0.022780 ETOT(band)= -0.000166 trlgG= -0.003496 logG= -0.002885 TDE= -0.022477 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009685 tlogG= -0.006635 logG= -0.016320 Density= 0.143793 ETOT(band)= 0.004913 trlgG= -0.014591 logG= -0.016320 TDE= -0.136297 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009662 tlogG= -0.008006 logG= -0.017668 Density= 0.150601 ETOT(band)= 0.010530 trlgG= -0.010497 logG= -0.017668 TDE= -0.137391 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004833 tlogG= -0.004166 logG= -0.008999 Density= 0.075505 ETOT(band)= 0.005191 trlgG= -0.005495 logG= -0.008999 TDE= -0.068973 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009666 tlogG= -0.008612 logG= -0.018278 Density= 0.150811 ETOT(band)= 0.010621 trlgG= -0.011033 logG= -0.018278 TDE= -0.137520 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009637 tlogG= -0.007748 logG= -0.017384 Density= 0.149959 ETOT(band)= 0.010938 trlgG= -0.009770 logG= -0.017384 TDE= -0.136332 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009676 tlogG= -0.008744 logG= -0.018421 Density= 0.151262 ETOT(band)= 0.010615 trlgG= -0.011140 logG= -0.018421 TDE= -0.137916 logGD-logG0= -0.019322 tlogG= -0.015789 logG= -0.035111 Density= 0.301362 ETOT(band)= 0.020990 trlgG= -0.020843 logG= -0.035111 TDE= -0.275010 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019301 tlogG= -0.014672 logG= -0.033972 Density= 0.299286 ETOT(band)= 0.020987 trlgG= -0.019506 logG= -0.033972 TDE= -0.272819 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009676 tlogG= -0.006587 logG= -0.016263 Density= 0.147264 ETOT(band)= 0.008433 trlgG= -0.011081 logG= -0.016263 TDE= -0.136177 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003098 tlogG= -0.002591 logG= -0.005689 logGD-logG0= -0.003144 tlogG= -0.002515 logG= -0.005659 Density= 0.045388 ETOT(band)= -0.000327 trlgG= -0.006918 logG= -0.005659 TDE= -0.044827 Density= 0.045890 ETOT(band)= 0.000586 trlgG= -0.005882 logG= -0.005689 TDE= -0.044243 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009444 tlogG= -0.007419 logG= -0.016862 Density= 0.136773 ETOT(band)= -0.000663 trlgG= -0.020350 logG= -0.016862 TDE= -0.134776 logGD-logG0= -0.003126 tlogG= -0.002541 logG= -0.005667 Density= 0.045619 ETOT(band)= 0.000080 trlgG= -0.006445 logG= -0.005667 TDE= -0.044568 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009436 tlogG= -0.007333 logG= -0.016768 Density= 0.136645 ETOT(band)= -0.000605 trlgG= -0.020214 logG= -0.016768 TDE= -0.134612 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009421 tlogG= -0.007262 logG= -0.016683 Density= 0.136695 ETOT(band)= -0.000210 trlgG= -0.019703 logG= -0.016683 TDE= -0.134234 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009741 tlogG= -0.007097 logG= -0.016838 logGD-logG0= -0.009453 tlogG= -0.006623 logG= -0.016076 Density= 0.147572 ETOT(band)= 0.009100 trlgG= -0.011014 logG= -0.016838 TDE= -0.135830 Density= 0.137909 ETOT(band)= 0.000736 trlgG= -0.018278 logG= -0.016076 TDE= -0.134582 logGD-logG0= -0.009365 tlogG= -0.007327 logG= -0.016692 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137359 ETOT(band)= 0.001088 trlgG= -0.018167 logG= -0.016692 TDE= -0.133326 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009679 tlogG= -0.007511 logG= -0.017190 Density= 0.148950 ETOT(band)= 0.010753 trlgG= -0.009738 logG= -0.017190 TDE= -0.135525 logGD-logG0= -0.009713 tlogG= -0.006478 logG= -0.016191 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.142491 ETOT(band)= 0.004305 trlgG= -0.014948 logG= -0.016191 TDE= -0.135534 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009448 tlogG= -0.006807 logG= -0.016255 Density= 0.138478 ETOT(band)= 0.001678 trlgG= -0.017297 logG= -0.016255 TDE= -0.133967 logGD-logG0= -0.009547 tlogG= -0.006325 logG= -0.015872 logGD-logG0= -0.009398 tlogG= -0.007290 logG= -0.016688 Density= 0.140287 ETOT(band)= 0.003368 trlgG= -0.015314 logG= -0.015872 TDE= -0.134105 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136922 ETOT(band)= 0.000193 trlgG= -0.019219 logG= -0.016688 TDE= -0.133962 logGD-logG0= -0.004771 tlogG= -0.003079 logG= -0.007851 Density= 0.067600 ETOT(band)= -0.001227 trlgG= -0.010499 logG= -0.007851 TDE= -0.067537 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009425 tlogG= -0.006490 logG= -0.015915 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137680 ETOT(band)= 0.001001 trlgG= -0.017796 logG= -0.015915 TDE= -0.134040 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009395 tlogG= -0.006783 logG= -0.016178 logGD-logG0= -0.009461 tlogG= -0.006590 logG= -0.016051 Density= 0.139045 ETOT(band)= 0.002964 trlgG= -0.015819 logG= -0.016178 TDE= -0.133111 Density= 0.137858 ETOT(band)= 0.000765 trlgG= -0.018258 logG= -0.016051 TDE= -0.134538 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009533 tlogG= -0.005593 logG= -0.015126 Density= 0.133772 ETOT(band)= -0.003084 trlgG= -0.021003 logG= -0.015126 TDE= -0.134286 logGD-logG0= -0.009507 tlogG= -0.005905 logG= -0.015412 Density= 0.138090 ETOT(band)= 0.001030 trlgG= -0.017313 logG= -0.015412 TDE= -0.134454 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009523 tlogG= -0.006104 logG= -0.015628 Density= 0.138663 ETOT(band)= 0.001571 trlgG= -0.016911 logG= -0.015628 TDE= -0.134386 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004785 tlogG= -0.002554 logG= -0.007339 Density= 0.065334 ETOT(band)= -0.002730 trlgG= -0.011342 logG= -0.007339 TDE= -0.066717 logGD-logG0= -0.009615 tlogG= -0.006541 logG= -0.016156 Density= 0.143490 ETOT(band)= 0.006758 trlgG= -0.012295 logG= -0.016156 TDE= -0.133876 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009445 tlogG= -0.006819 logG= -0.016265 Density= 0.137521 ETOT(band)= 0.000282 trlgG= -0.018936 logG= -0.016265 TDE= -0.134679 logGD-logG0= -0.009551 tlogG= -0.005983 logG= -0.015535 Density= 0.135878 ETOT(band)= -0.001441 trlgG= -0.019831 logG= -0.015535 TDE= -0.134726 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009487 tlogG= -0.005581 logG= -0.015068 Density= 0.136885 ETOT(band)= 0.000362 trlgG= -0.017636 logG= -0.015068 TDE= -0.133964 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019005 tlogG= -0.012043 logG= -0.031048 Density= 0.278269 ETOT(band)= 0.004065 trlgG= -0.032982 logG= -0.031048 TDE= -0.269045 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019480 tlogG= -0.012700 logG= -0.032179 Density= 0.285125 ETOT(band)= 0.008245 trlgG= -0.030169 logG= -0.032179 TDE= -0.271682 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018986 tlogG= -0.011897 logG= -0.030883 Density= 0.277935 ETOT(band)= 0.004030 trlgG= -0.032810 logG= -0.030883 TDE= -0.268717 logGD-logG0= -0.009760 tlogG= -0.006484 logG= -0.016244 Density= 0.143071 ETOT(band)= 0.004346 trlgG= -0.015064 logG= -0.016244 TDE= -0.136155 logGD-logG0= -0.019186 tlogG= -0.010109 logG= -0.029295 logGD-logG0= -0.018881 tlogG= -0.013640 logG= -0.032521 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.275211 ETOT(band)= 0.001189 trlgG= -0.037107 logG= -0.032521 TDE= -0.268761 Density= 0.263972 ETOT(band)= -0.008434 trlgG= -0.043205 logG= -0.029295 TDE= -0.267298 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019240 tlogG= -0.011997 logG= -0.031236 Density= 0.281461 ETOT(band)= 0.006886 trlgG= -0.030324 logG= -0.031236 TDE= -0.269263 logGD-logG0= -0.019524 tlogG= -0.012684 logG= -0.032207 Density= 0.289554 ETOT(band)= 0.014823 trlgG= -0.023485 logG= -0.032207 TDE= -0.269222 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019201 tlogG= -0.010396 logG= -0.029597 Density= 0.278194 ETOT(band)= 0.004719 trlgG= -0.030717 logG= -0.029597 TDE= -0.268159 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018918 tlogG= -0.012283 logG= -0.031201 Density= 0.278933 ETOT(band)= 0.006466 trlgG= -0.030336 logG= -0.031201 TDE= -0.266883 logGD-logG0= -0.019089 tlogG= -0.010776 logG= -0.029865 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.271477 ETOT(band)= -0.002030 trlgG= -0.037687 logG= -0.029865 TDE= -0.268414 logGD-logG0= -0.009560 tlogG= -0.005421 logG= -0.014981 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.133050 ETOT(band)= -0.003761 trlgG= -0.021472 logG= -0.014981 TDE= -0.134206 logGD-logG0= -0.004864 tlogG= -0.003550 logG= -0.008414 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.074793 ETOT(band)= 0.005049 trlgG= -0.005006 logG= -0.008414 TDE= -0.068386 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019110 tlogG= -0.011392 logG= -0.030501 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.275446 ETOT(band)= 0.001262 trlgG= -0.035001 logG= -0.030501 TDE= -0.268902 logGD-logG0= -0.018812 tlogG= -0.013685 logG= -0.032497 Density= 0.275863 ETOT(band)= 0.003003 trlgG= -0.034876 logG= -0.032497 TDE= -0.267181 logGD-logG0= -0.018987 tlogG= -0.012193 logG= -0.031180 Density= 0.278081 ETOT(band)= 0.004466 trlgG= -0.032510 logG= -0.031180 TDE= -0.268260 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018908 tlogG= -0.011571 logG= -0.030478 Density= 0.276543 ETOT(band)= 0.003956 trlgG= -0.032286 logG= -0.030478 TDE= -0.267262 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009634 tlogG= -0.004842 logG= -0.014477 Density= 0.130901 ETOT(band)= -0.005288 trlgG= -0.022480 logG= -0.014477 TDE= -0.133655 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019128 tlogG= -0.011612 logG= -0.030741 Density= 0.270181 ETOT(band)= -0.004493 trlgG= -0.040958 logG= -0.030741 TDE= -0.269564 logGD-logG0= -0.019343 tlogG= -0.011843 logG= -0.031186 Density= 0.280274 ETOT(band)= 0.004438 trlgG= -0.032819 logG= -0.031186 TDE= -0.270669 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019279 tlogG= -0.011075 logG= -0.030354 logGD-logG0= -0.019225 tlogG= -0.010017 logG= -0.029241 Density= 0.267136 ETOT(band)= -0.006152 trlgG= -0.040926 logG= -0.029241 TDE= -0.268108 Density= 0.278188 ETOT(band)= 0.003739 trlgG= -0.032506 logG= -0.030354 TDE= -0.269185 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009778 tlogG= -0.005939 logG= -0.015718 logGD-logG0= -0.019137 tlogG= -0.010466 logG= -0.029604 Density= 0.274662 ETOT(band)= 0.002178 trlgG= -0.033174 logG= -0.029604 TDE= -0.267219 Density= 0.143968 ETOT(band)= 0.006384 trlgG= -0.012377 logG= -0.015718 TDE= -0.134854 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009626 tlogG= -0.005166 logG= -0.014792 Density= 0.139985 ETOT(band)= 0.002950 trlgG= -0.014818 logG= -0.014792 TDE= -0.134398 logGD-logG0= -0.019176 tlogG= -0.010535 logG= -0.029711 Density= 0.272391 ETOT(band)= -0.001728 trlgG= -0.037071 logG= -0.029711 TDE= -0.268828 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000387 tlogG= 0.008632 logG= 0.008246 Density= 0.005718 ETOT(band)= 0.000064 trlgG= 0.008206 logG= 0.008246 TDE= -0.005529 logGD-logG0= -0.009565 tlogG= -0.005102 logG= -0.014666 Density= 0.136474 ETOT(band)= -0.000404 trlgG= -0.017750 logG= -0.014666 TDE= -0.134085 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009584 tlogG= -0.005238 logG= -0.014822 Density= 0.136939 ETOT(band)= -0.000064 trlgG= -0.017657 logG= -0.014822 TDE= -0.134283 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004791 tlogG= -0.002638 logG= -0.007428 Density= 0.068645 ETOT(band)= 0.000084 trlgG= -0.008778 logG= -0.007428 TDE= -0.067242 logGD-logG0= -0.009574 tlogG= -0.005459 logG= -0.015033 Density= 0.135902 ETOT(band)= -0.001260 trlgG= -0.018998 logG= -0.015033 TDE= -0.134418 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002434 tlogG= -0.001858 logG= -0.004292 Density= 0.036952 ETOT(band)= 0.002599 trlgG= -0.002479 logG= -0.004292 TDE= -0.033658 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009321 tlogG= -0.008783 logG= -0.018104 Density= 0.139452 ETOT(band)= 0.003693 trlgG= -0.016838 logG= -0.018104 TDE= -0.132594 logGD-logG0= -0.002332 tlogG= -0.002337 logG= -0.004669 Density= 0.034885 ETOT(band)= 0.000939 trlgG= -0.004366 logG= -0.004669 TDE= -0.033184 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002379 tlogG= -0.001962 logG= -0.004342 Density= 0.035804 ETOT(band)= 0.001763 trlgG= -0.003240 logG= -0.004342 TDE= -0.033266 logGD-logG0= -0.009417 tlogG= -0.007370 logG= -0.016787 Density= 0.137600 ETOT(band)= 0.001642 trlgG= -0.017667 logG= -0.016787 TDE= -0.132963 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009372 tlogG= -0.007715 logG= -0.017087 Density= 0.138607 ETOT(band)= 0.002897 trlgG= -0.016561 logG= -0.017087 TDE= -0.132523 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009667 tlogG= -0.007151 logG= -0.016817 Density= 0.144859 ETOT(band)= 0.008362 trlgG= -0.011256 logG= -0.016817 TDE= -0.133489 logGD-logG0= -0.009353 tlogG= -0.007945 logG= -0.017298 Density= 0.138869 ETOT(band)= 0.003270 trlgG= -0.016446 logG= -0.017298 TDE= -0.132449 logGD-logG0= -0.009436 tlogG= -0.007295 logG= -0.016731 Density= 0.141013 ETOT(band)= 0.005246 trlgG= -0.014152 logG= -0.016731 TDE= -0.132780 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004677 tlogG= -0.004005 logG= -0.008682 Density= 0.069952 ETOT(band)= 0.002149 trlgG= -0.007771 logG= -0.008682 TDE= -0.066237 logGD-logG0= -0.009385 tlogG= -0.008401 logG= -0.017785 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.140884 ETOT(band)= 0.005050 trlgG= -0.015298 logG= -0.017785 TDE= -0.132748 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009425 tlogG= -0.006854 logG= -0.016279 Density= 0.139384 ETOT(band)= 0.003938 trlgG= -0.014926 logG= -0.016279 TDE= -0.132442 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009475 tlogG= -0.006319 logG= -0.015793 Density= 0.137457 ETOT(band)= 0.001695 trlgG= -0.016908 logG= -0.015793 TDE= -0.133060 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009588 tlogG= -0.005290 logG= -0.014877 Density= 0.133791 ETOT(band)= -0.001894 trlgG= -0.019543 logG= -0.014877 TDE= -0.133092 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004769 tlogG= -0.002807 logG= -0.007576 Density= 0.068412 ETOT(band)= 0.000785 trlgG= -0.008174 logG= -0.007576 TDE= -0.066266 logGD-logG0= -0.018750 tlogG= -0.015698 logG= -0.034448 Density= 0.280452 ETOT(band)= 0.009100 trlgG= -0.030345 logG= -0.034448 TDE= -0.265103 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019087 tlogG= -0.013174 logG= -0.032261 logGD-logG0= -0.009622 tlogG= -0.004984 logG= -0.014606 Density= 0.130691 ETOT(band)= -0.004785 trlgG= -0.022092 logG= -0.014606 TDE= -0.132936 Density= 0.284710 ETOT(band)= 0.012692 trlgG= -0.025264 logG= -0.032261 TDE= -0.266296 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009320 tlogG= -0.009013 logG= -0.018333 Density= 0.139645 ETOT(band)= 0.003882 trlgG= -0.016944 logG= -0.018333 TDE= -0.132657 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018861 tlogG= -0.013911 logG= -0.032772 Density= 0.277626 ETOT(band)= 0.006270 trlgG= -0.031580 logG= -0.032772 TDE= -0.265302 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009787 tlogG= -0.006683 logG= -0.016470 Density= 0.145744 ETOT(band)= 0.008830 trlgG= -0.010754 logG= -0.016470 TDE= -0.134185 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009648 tlogG= -0.005662 logG= -0.015310 Density= 0.141463 ETOT(band)= 0.005392 trlgG= -0.012932 logG= -0.015310 TDE= -0.133413 logGD-logG0= -0.009480 tlogG= -0.007498 logG= -0.016978 Density= 0.142483 ETOT(band)= 0.006528 trlgG= -0.013116 logG= -0.016978 TDE= -0.132908 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019029 tlogG= -0.011634 logG= -0.030663 Density= 0.277018 ETOT(band)= 0.005930 trlgG= -0.030388 logG= -0.030663 TDE= -0.265636 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009460 tlogG= -0.006636 logG= -0.016096 Density= 0.140838 ETOT(band)= 0.005321 trlgG= -0.013552 logG= -0.016096 TDE= -0.132646 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003107 tlogG= 0.069471 logG= 0.066364 Density= 0.046215 ETOT(band)= 0.000957 trlgG= 0.066504 logG= 0.066364 TDE= -0.044221 logGD-logG0= -0.003097 tlogG= 0.069187 logG= 0.066091 Density= 0.045863 ETOT(band)= 0.000634 trlgG= 0.065883 logG= 0.066091 TDE= -0.044232 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003127 tlogG= 0.069869 logG= 0.066743 Density= 0.046287 ETOT(band)= 0.001058 trlgG= 0.067001 logG= 0.066743 TDE= -0.044173 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002323 tlogG= 0.051910 logG= 0.049586 Density= 0.034460 ETOT(band)= 0.000526 trlgG= 0.049488 logG= 0.049586 TDE= -0.033177 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004650 tlogG= 0.104033 logG= 0.099382 Density= 0.069163 ETOT(band)= 0.001283 trlgG= 0.099427 logG= 0.099382 TDE= -0.066345 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009353 tlogG= 0.209132 logG= 0.199779 Density= 0.139121 ETOT(band)= 0.003430 trlgG= 0.200715 logG= 0.199779 TDE= -0.132606 logGD-logG0= -0.009316 tlogG= 0.208431 logG= 0.199115 Density= 0.138617 ETOT(band)= 0.002902 trlgG= 0.199488 logG= 0.199115 TDE= -0.132686 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.51571679963578 eV TrLogG= -13.8135118230438 eV Ratio to renormalize= 0.999999999715 rho-rho_expected= 0.000000004562 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 25) Finished k-point number 26 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 90) Finished k-point number 91 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 73) Finished k-point number 74 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 88) Finished k-point number 89 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 92) Finished k-point number 93 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 99) Finished k-point number 100 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 40) Finished k-point number 41 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 59) Finished k-point number 60 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 57) Finished k-point number 58 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931392497026218 0.928000265444487 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 15) Finished k-point number 16 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 91) Finished k-point number 92 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 95) Finished k-point number 96 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 65) Finished k-point number 66 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 41) Finished k-point number 42 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 102) Finished k-point number 103 1 with #bands= 22 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0601344098459 Density= 16.0010494152911 16.0000000000000 EF 12.7880205777323 Density= 15.3651254057093 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95990226 0.93990226 0.104942E-02 -0.634875 1 0.95986926 0.93990226 0.153437E-03 -0.634875 2 0.95986360 0.95986926 -0.476278E-08 0.153437E-03 3 0.95986360 0.95986360 0.191847E-12 -0.476278E-08 Absolute convergence of |F(X)|. Difference in EF= -0.0005259270 EF set to : 13.0596084829 new EF (no-mixing): 13.0596084829 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001207 tlogG= -0.001241 logG= -0.002449 Density= 0.018980 ETOT(band)= 0.001236 trlgG= -0.001617 logG= -0.002449 TDE= -0.017386 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009636 tlogG= -0.009470 logG= -0.019106 Density= 0.151740 ETOT(band)= 0.010147 trlgG= -0.012199 logG= -0.019106 TDE= -0.138743 logGD-logG0= -0.002407 tlogG= -0.002388 logG= -0.004796 Density= 0.037911 ETOT(band)= 0.002568 trlgG= -0.003041 logG= -0.004796 TDE= -0.034635 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004814 tlogG= -0.004588 logG= -0.009401 Density= 0.075845 ETOT(band)= 0.005154 trlgG= -0.005869 logG= -0.009401 TDE= -0.069268 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002412 tlogG= -0.002065 logG= -0.004477 Density= 0.037454 ETOT(band)= 0.002595 trlgG= -0.002741 logG= -0.004477 TDE= -0.034214 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009662 tlogG= -0.008006 logG= -0.017667 Density= 0.150603 ETOT(band)= 0.010527 trlgG= -0.010498 logG= -0.017667 TDE= -0.137389 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001575 tlogG= -0.001310 logG= -0.002885 Density= 0.022780 ETOT(band)= -0.000166 trlgG= -0.003497 logG= -0.002885 TDE= -0.022477 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009685 tlogG= -0.006636 logG= -0.016321 Density= 0.143785 ETOT(band)= 0.004900 trlgG= -0.014603 logG= -0.016321 TDE= -0.136296 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009665 tlogG= -0.008612 logG= -0.018277 Density= 0.150814 ETOT(band)= 0.010619 trlgG= -0.011034 logG= -0.018277 TDE= -0.137518 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004833 tlogG= -0.004166 logG= -0.009000 Density= 0.075507 ETOT(band)= 0.005191 trlgG= -0.005495 logG= -0.009000 TDE= -0.068972 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009637 tlogG= -0.007747 logG= -0.017384 Density= 0.149963 ETOT(band)= 0.010937 trlgG= -0.009770 logG= -0.017384 TDE= -0.136330 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019300 tlogG= -0.014673 logG= -0.033973 Density= 0.299288 ETOT(band)= 0.020979 trlgG= -0.019513 logG= -0.033973 TDE= -0.272816 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019323 tlogG= -0.015790 logG= -0.035112 Density= 0.301371 ETOT(band)= 0.020989 trlgG= -0.020845 logG= -0.035112 TDE= -0.275007 logGD-logG0= -0.009676 tlogG= -0.008744 logG= -0.018420 Density= 0.151266 ETOT(band)= 0.010613 trlgG= -0.011140 logG= -0.018420 TDE= -0.137914 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009676 tlogG= -0.006587 logG= -0.016263 Density= 0.147266 ETOT(band)= 0.008429 trlgG= -0.011083 logG= -0.016263 TDE= -0.136175 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003144 tlogG= -0.002515 logG= -0.005659 Density= 0.045388 ETOT(band)= -0.000329 trlgG= -0.006919 logG= -0.005659 TDE= -0.044826 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003098 tlogG= -0.002591 logG= -0.005689 Density= 0.045890 ETOT(band)= 0.000584 trlgG= -0.005884 logG= -0.005689 TDE= -0.044243 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003126 tlogG= -0.002541 logG= -0.005667 Density= 0.045620 ETOT(band)= 0.000078 trlgG= -0.006446 logG= -0.005667 TDE= -0.044568 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009444 tlogG= -0.007420 logG= -0.016863 Density= 0.136774 ETOT(band)= -0.000666 trlgG= -0.020354 logG= -0.016863 TDE= -0.134776 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009435 tlogG= -0.007333 logG= -0.016769 Density= 0.136648 ETOT(band)= -0.000608 trlgG= -0.020217 logG= -0.016769 TDE= -0.134611 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009421 tlogG= -0.007264 logG= -0.016684 Density= 0.136695 ETOT(band)= -0.000215 trlgG= -0.019709 logG= -0.016684 TDE= -0.134233 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009452 tlogG= -0.006624 logG= -0.016077 Density= 0.137911 ETOT(band)= 0.000733 trlgG= -0.018282 logG= -0.016077 TDE= -0.134581 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009741 tlogG= -0.007097 logG= -0.016838 Density= 0.147571 ETOT(band)= 0.009094 trlgG= -0.011019 logG= -0.016838 TDE= -0.135829 logGD-logG0= -0.009425 tlogG= -0.006492 logG= -0.015917 Density= 0.137681 ETOT(band)= 0.000999 trlgG= -0.017801 logG= -0.015917 TDE= -0.134039 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009364 tlogG= -0.007326 logG= -0.016691 Density= 0.137360 ETOT(band)= 0.001085 trlgG= -0.018169 logG= -0.016691 TDE= -0.133325 logGD-logG0= -0.009448 tlogG= -0.006805 logG= -0.016253 logGD-logG0= -0.009713 tlogG= -0.006477 logG= -0.016191 Density= 0.138479 ETOT(band)= 0.001673 trlgG= -0.017299 logG= -0.016253 TDE= -0.133966 Density= 0.142488 ETOT(band)= 0.004298 trlgG= -0.014954 logG= -0.016191 TDE= -0.135533 logGD-logG0= -0.009679 tlogG= -0.007511 logG= -0.017190 logGD-logG0= -0.009547 tlogG= -0.006325 logG= -0.015872 Density= 0.148954 ETOT(band)= 0.010752 trlgG= -0.009738 logG= -0.017190 TDE= -0.135524 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.140286 ETOT(band)= 0.003362 trlgG= -0.015320 logG= -0.015872 TDE= -0.134103 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009461 tlogG= -0.006590 logG= -0.016051 logGD-logG0= -0.009486 tlogG= -0.005581 logG= -0.015067 Density= 0.137859 ETOT(band)= 0.000761 trlgG= -0.018262 logG= -0.016051 TDE= -0.134537 Density= 0.136881 ETOT(band)= 0.000352 trlgG= -0.017643 logG= -0.015067 TDE= -0.133963 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009400 tlogG= -0.007292 logG= -0.016692 logGD-logG0= -0.004772 tlogG= -0.003080 logG= -0.007851 Density= 0.136923 ETOT(band)= 0.000189 trlgG= -0.019226 logG= -0.016692 TDE= -0.133962 Density= 0.067602 ETOT(band)= -0.001226 trlgG= -0.010499 logG= -0.007851 TDE= -0.067536 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009614 tlogG= -0.006541 logG= -0.016155 logGD-logG0= -0.009532 tlogG= -0.005592 logG= -0.015124 Density= 0.133765 ETOT(band)= -0.003097 trlgG= -0.021013 logG= -0.015124 TDE= -0.134285 Density= 0.143489 ETOT(band)= 0.006752 trlgG= -0.012299 logG= -0.016155 TDE= -0.133874 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009506 tlogG= -0.005903 logG= -0.015410 Density= 0.138089 ETOT(band)= 0.001024 trlgG= -0.017316 logG= -0.015410 TDE= -0.134453 logGD-logG0= -0.009394 tlogG= -0.006783 logG= -0.016178 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.139044 ETOT(band)= 0.002959 trlgG= -0.015824 logG= -0.016178 TDE= -0.133110 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004785 tlogG= -0.002556 logG= -0.007341 Density= 0.065347 ETOT(band)= -0.002718 trlgG= -0.011334 logG= -0.007341 TDE= -0.066716 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009445 tlogG= -0.006820 logG= -0.016264 Density= 0.137522 ETOT(band)= 0.000277 trlgG= -0.018939 logG= -0.016264 TDE= -0.134678 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009523 tlogG= -0.006104 logG= -0.015627 Density= 0.138663 ETOT(band)= 0.001566 trlgG= -0.016914 logG= -0.015627 TDE= -0.134385 logGD-logG0= -0.009551 tlogG= -0.005982 logG= -0.015533 Density= 0.135877 ETOT(band)= -0.001447 trlgG= -0.019835 logG= -0.015533 TDE= -0.134725 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018880 tlogG= -0.013643 logG= -0.032524 Density= 0.275211 ETOT(band)= 0.001180 trlgG= -0.037118 logG= -0.032524 TDE= -0.268759 logGD-logG0= -0.019479 tlogG= -0.012700 logG= -0.032179 Density= 0.285122 ETOT(band)= 0.008233 trlgG= -0.030180 logG= -0.032179 TDE= -0.271679 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018918 tlogG= -0.012283 logG= -0.031200 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018988 tlogG= -0.011896 logG= -0.030885 Density= 0.278931 ETOT(band)= 0.006454 trlgG= -0.030345 logG= -0.031200 TDE= -0.266881 Density= 0.277938 ETOT(band)= 0.004025 trlgG= -0.032817 logG= -0.030885 TDE= -0.268715 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009760 tlogG= -0.006484 logG= -0.016244 Density= 0.143067 ETOT(band)= 0.004337 trlgG= -0.015073 logG= -0.016244 TDE= -0.136153 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019239 tlogG= -0.011998 logG= -0.031237 Density= 0.281462 ETOT(band)= 0.006878 trlgG= -0.030333 logG= -0.031237 TDE= -0.269260 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019108 tlogG= -0.011387 logG= -0.030495 Density= 0.275449 ETOT(band)= 0.001254 trlgG= -0.035001 logG= -0.030495 TDE= -0.268899 logGD-logG0= -0.000387 tlogG= 0.008632 logG= 0.008246 Density= 0.005718 ETOT(band)= 0.000063 trlgG= 0.008205 logG= 0.008246 TDE= -0.005529 logGD-logG0= -0.019090 tlogG= -0.010779 logG= -0.029869 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019005 tlogG= -0.012045 logG= -0.031050 Density= 0.278268 ETOT(band)= 0.004054 trlgG= -0.032994 logG= -0.031050 TDE= -0.269043 Density= 0.271480 ETOT(band)= -0.002035 trlgG= -0.037697 logG= -0.029869 TDE= -0.268412 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019186 tlogG= -0.010101 logG= -0.029287 Density= 0.263955 ETOT(band)= -0.008459 trlgG= -0.043222 logG= -0.029287 TDE= -0.267296 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018812 tlogG= -0.013688 logG= -0.032500 Density= 0.275863 ETOT(band)= 0.002994 trlgG= -0.034888 logG= -0.032500 TDE= -0.267179 logGD-logG0= -0.018986 tlogG= -0.012194 logG= -0.031180 Density= 0.278083 ETOT(band)= 0.004458 trlgG= -0.032516 logG= -0.031180 TDE= -0.268258 logGD-logG0= -0.004864 tlogG= -0.003550 logG= -0.008414 Density= 0.074794 ETOT(band)= 0.005047 trlgG= -0.005007 logG= -0.008414 TDE= -0.068385 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009633 tlogG= -0.004842 logG= -0.014475 Density= 0.130894 ETOT(band)= -0.005300 trlgG= -0.022489 logG= -0.014475 TDE= -0.133654 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018912 tlogG= -0.011574 logG= -0.030487 logGD-logG0= -0.019201 tlogG= -0.010395 logG= -0.029595 Density= 0.276549 ETOT(band)= 0.003955 trlgG= -0.032297 logG= -0.030487 TDE= -0.267260 Density= 0.278181 ETOT(band)= 0.004698 trlgG= -0.030736 logG= -0.029595 TDE= -0.268157 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019523 tlogG= -0.012684 logG= -0.032207 Density= 0.289548 ETOT(band)= 0.014806 trlgG= -0.023500 logG= -0.032207 TDE= -0.269219 logGD-logG0= -0.019127 tlogG= -0.011612 logG= -0.030739 Density= 0.270178 ETOT(band)= -0.004506 trlgG= -0.040967 logG= -0.030739 TDE= -0.269562 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009561 tlogG= -0.005432 logG= -0.014993 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.133068 ETOT(band)= -0.003748 trlgG= -0.021471 logG= -0.014993 TDE= -0.134205 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019342 tlogG= -0.011844 logG= -0.031187 Density= 0.280264 ETOT(band)= 0.004419 trlgG= -0.032837 logG= -0.031187 TDE= -0.270666 logGD-logG0= -0.019137 tlogG= -0.010469 logG= -0.029606 logGD-logG0= -0.019176 tlogG= -0.010535 logG= -0.029711 Density= 0.272392 ETOT(band)= -0.001736 trlgG= -0.037078 logG= -0.029711 TDE= -0.268826 Density= 0.274668 ETOT(band)= 0.002175 trlgG= -0.033178 logG= -0.029606 TDE= -0.267216 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009625 tlogG= -0.005166 logG= -0.014791 Density= 0.139981 ETOT(band)= 0.002942 trlgG= -0.014825 logG= -0.014791 TDE= -0.134397 logGD-logG0= -0.009778 tlogG= -0.005939 logG= -0.015717 Density= 0.143966 ETOT(band)= 0.006377 trlgG= -0.012382 logG= -0.015717 TDE= -0.134853 logGD-logG0= -0.019279 tlogG= -0.011076 logG= -0.030355 Density= 0.278187 ETOT(band)= 0.003729 trlgG= -0.032516 logG= -0.030355 TDE= -0.269183 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019224 tlogG= -0.010017 logG= -0.029241 Density= 0.267130 ETOT(band)= -0.006167 trlgG= -0.040939 logG= -0.029241 TDE= -0.268106 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009572 tlogG= -0.005456 logG= -0.015028 Density= 0.135905 ETOT(band)= -0.001264 trlgG= -0.018995 logG= -0.015028 TDE= -0.134417 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009566 tlogG= -0.005104 logG= -0.014669 Density= 0.136474 ETOT(band)= -0.000408 trlgG= -0.017757 logG= -0.014669 TDE= -0.134084 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009584 tlogG= -0.005238 logG= -0.014822 Density= 0.136938 ETOT(band)= -0.000070 trlgG= -0.017663 logG= -0.014822 TDE= -0.134282 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004791 tlogG= -0.002638 logG= -0.007429 Density= 0.068645 ETOT(band)= 0.000081 trlgG= -0.008780 logG= -0.007429 TDE= -0.067242 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002434 tlogG= -0.001858 logG= -0.004292 Density= 0.036953 ETOT(band)= 0.002598 trlgG= -0.002480 logG= -0.004292 TDE= -0.033657 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009321 tlogG= -0.008783 logG= -0.018104 Density= 0.139453 ETOT(band)= 0.003688 trlgG= -0.016842 logG= -0.018104 TDE= -0.132593 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009417 tlogG= -0.007371 logG= -0.016787 Density= 0.137602 ETOT(band)= 0.001638 trlgG= -0.017671 logG= -0.016787 TDE= -0.132962 logGD-logG0= -0.002332 tlogG= -0.002337 logG= -0.004669 Density= 0.034886 ETOT(band)= 0.000938 trlgG= -0.004367 logG= -0.004669 TDE= -0.033184 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009372 tlogG= -0.007718 logG= -0.017089 Density= 0.138607 ETOT(band)= 0.002891 trlgG= -0.016568 logG= -0.017089 TDE= -0.132522 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009353 tlogG= -0.007945 logG= -0.017298 Density= 0.138869 ETOT(band)= 0.003266 trlgG= -0.016450 logG= -0.017298 TDE= -0.132448 logGD-logG0= -0.009436 tlogG= -0.007295 logG= -0.016731 Density= 0.141012 ETOT(band)= 0.005240 trlgG= -0.014158 logG= -0.016731 TDE= -0.132779 logGD-logG0= -0.009667 tlogG= -0.007151 logG= -0.016818 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.144858 ETOT(band)= 0.008357 trlgG= -0.011262 logG= -0.016818 TDE= -0.133488 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002379 tlogG= -0.001962 logG= -0.004342 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.035803 ETOT(band)= 0.001762 trlgG= -0.003241 logG= -0.004342 TDE= -0.033266 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004679 tlogG= -0.004004 logG= -0.008683 Density= 0.069954 ETOT(band)= 0.002149 trlgG= -0.007773 logG= -0.008683 TDE= -0.066236 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009385 tlogG= -0.008401 logG= -0.017786 Density= 0.140884 ETOT(band)= 0.005045 trlgG= -0.015303 logG= -0.017786 TDE= -0.132747 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009588 tlogG= -0.005290 logG= -0.014878 Density= 0.133789 ETOT(band)= -0.001900 trlgG= -0.019550 logG= -0.014878 TDE= -0.133091 logGD-logG0= -0.009425 tlogG= -0.006852 logG= -0.016277 Density= 0.139385 ETOT(band)= 0.003934 trlgG= -0.014927 logG= -0.016277 TDE= -0.132441 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009475 tlogG= -0.006319 logG= -0.015793 Density= 0.137458 ETOT(band)= 0.001692 trlgG= -0.016912 logG= -0.015793 TDE= -0.133060 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009320 tlogG= -0.009013 logG= -0.018333 Density= 0.139645 ETOT(band)= 0.003877 trlgG= -0.016948 logG= -0.018333 TDE= -0.132656 logGD-logG0= -0.018750 tlogG= -0.015698 logG= -0.034448 Density= 0.280452 ETOT(band)= 0.009090 trlgG= -0.030354 logG= -0.034448 TDE= -0.265102 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004769 tlogG= -0.002808 logG= -0.007577 Density= 0.068411 ETOT(band)= 0.000782 trlgG= -0.008178 logG= -0.007577 TDE= -0.066266 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009787 tlogG= -0.006682 logG= -0.016469 logGD-logG0= -0.019087 tlogG= -0.013173 logG= -0.032260 Density= 0.284709 ETOT(band)= 0.012680 trlgG= -0.025272 logG= -0.032260 TDE= -0.266294 Density= 0.145744 ETOT(band)= 0.008825 trlgG= -0.010758 logG= -0.016469 TDE= -0.134183 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009480 tlogG= -0.007498 logG= -0.016978 Density= 0.142482 ETOT(band)= 0.006522 trlgG= -0.013121 logG= -0.016978 TDE= -0.132907 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009623 tlogG= -0.004981 logG= -0.014604 Density= 0.130685 ETOT(band)= -0.004794 trlgG= -0.022099 logG= -0.014604 TDE= -0.132935 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018859 tlogG= -0.013912 logG= -0.032771 Density= 0.277627 ETOT(band)= 0.006260 trlgG= -0.031587 logG= -0.032771 TDE= -0.265300 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009648 tlogG= -0.005662 logG= -0.015310 Density= 0.141460 ETOT(band)= 0.005384 trlgG= -0.012939 logG= -0.015310 TDE= -0.133412 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019025 tlogG= -0.011628 logG= -0.030653 Density= 0.277021 ETOT(band)= 0.005920 trlgG= -0.030384 logG= -0.030653 TDE= -0.265634 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009459 tlogG= -0.006633 logG= -0.016092 Density= 0.140834 ETOT(band)= 0.005310 trlgG= -0.013556 logG= -0.016092 TDE= -0.132645 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003107 tlogG= 0.069468 logG= 0.066361 Density= 0.046215 ETOT(band)= 0.000955 trlgG= 0.066500 logG= 0.066361 TDE= -0.044221 logGD-logG0= -0.003127 tlogG= 0.069866 logG= 0.066740 Density= 0.046288 ETOT(band)= 0.001057 trlgG= 0.066997 logG= 0.066740 TDE= -0.044173 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003097 tlogG= 0.069184 logG= 0.066087 Density= 0.045864 ETOT(band)= 0.000633 trlgG= 0.065879 logG= 0.066087 TDE= -0.044231 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002323 tlogG= 0.051907 logG= 0.049584 Density= 0.034460 ETOT(band)= 0.000525 trlgG= 0.049485 logG= 0.049584 TDE= -0.033177 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009317 tlogG= 0.208422 logG= 0.199105 Density= 0.138618 ETOT(band)= 0.002898 trlgG= 0.199475 logG= 0.199105 TDE= -0.132685 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004650 tlogG= 0.104029 logG= 0.099378 Density= 0.069164 ETOT(band)= 0.001281 trlgG= 0.099421 logG= 0.099378 TDE= -0.066345 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009353 tlogG= 0.209123 logG= 0.199770 Density= 0.139122 ETOT(band)= 0.003426 trlgG= 0.200703 logG= 0.199770 TDE= -0.132605 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.50823245728999 eV TrLogG= -13.8206556235806 eV Ratio to renormalize= 0.999999999715 rho-rho_expected= 0.000000004561 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 71) Finished k-point number 72 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 92) Finished k-point number 93 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 76) Finished k-point number 77 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 78) Finished k-point number 79 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 72) Finished k-point number 73 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 86) Finished k-point number 87 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 20) Finished k-point number 21 1 with #bands= 26 67) Finished k-point number 68 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 20 88) Finished k-point number 89 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 93) Finished k-point number 94 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931385193776090 0.928018536305572 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 9) Finished k-point number 10 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 7) Finished k-point number 8 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 55) Finished k-point number 56 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 14) Finished k-point number 15 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 25) Finished k-point number 26 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 72) Finished k-point number 73 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0596084828684 Density= 15.9923788997804 16.0000000000000 EF 13.3317223149820 Density= 16.4942814546143 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97986360 0.95986360 0.494281 -0.762110E-02 1 0.96986360 0.95986362 0.252395 -0.762110E-02 2 0.96486361 0.95986338 0.125304 -0.762110E-02 3 0.96236349 0.95986350 0.597584E-01 -0.762110E-02 4 0.96111350 0.95986344 0.263272E-01 -0.762110E-02 5 0.96048847 0.95986323 0.941956E-02 -0.762110E-02 6 0.96017585 0.95986333 0.911773E-03 -0.762110E-02 7 0.96014241 0.96017585 -0.292404E-06 0.911773E-03 8 0.96014242 0.96014241 0.649223E-10 -0.292404E-06 Absolute convergence of |F(X)|. Difference in EF= 0.0037935004 EF set to : 13.0634019833 new EF (no-mixing): 13.0634019833 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001229 tlogG= -0.001243 logG= -0.002472 Density= 0.018969 ETOT(band)= 0.001227 trlgG= -0.001649 logG= -0.002472 TDE= -0.017390 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009807 tlogG= -0.009485 logG= -0.019292 Density= 0.151647 ETOT(band)= 0.010067 trlgG= -0.012462 logG= -0.019292 TDE= -0.138773 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002450 tlogG= -0.002392 logG= -0.004842 Density= 0.037887 ETOT(band)= 0.002547 trlgG= -0.003108 logG= -0.004842 TDE= -0.034642 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004899 tlogG= -0.004595 logG= -0.009495 Density= 0.075798 ETOT(band)= 0.005114 trlgG= -0.006001 logG= -0.009495 TDE= -0.069283 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002455 tlogG= -0.002069 logG= -0.004524 Density= 0.037431 ETOT(band)= 0.002575 trlgG= -0.002807 logG= -0.004524 TDE= -0.034222 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009833 tlogG= -0.008021 logG= -0.017854 Density= 0.150510 ETOT(band)= 0.010448 trlgG= -0.010762 logG= -0.017854 TDE= -0.137419 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009854 tlogG= -0.006649 logG= -0.016503 Density= 0.143901 ETOT(band)= 0.005029 trlgG= -0.014663 logG= -0.016503 TDE= -0.136326 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009837 tlogG= -0.008626 logG= -0.018464 Density= 0.150713 ETOT(band)= 0.010531 trlgG= -0.011306 logG= -0.018464 TDE= -0.137548 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001603 tlogG= -0.001312 logG= -0.002915 logGD-logG0= -0.004919 tlogG= -0.004173 logG= -0.009093 Density= 0.075455 ETOT(band)= 0.005146 trlgG= -0.005632 logG= -0.009093 TDE= -0.068987 Density= 0.022775 ETOT(band)= -0.000169 trlgG= -0.003531 logG= -0.002915 TDE= -0.022482 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009849 tlogG= -0.008759 logG= -0.018607 Density= 0.151166 ETOT(band)= 0.010528 trlgG= -0.011411 logG= -0.018607 TDE= -0.137944 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009808 tlogG= -0.007762 logG= -0.017570 Density= 0.149884 ETOT(band)= 0.010872 trlgG= -0.010020 logG= -0.017570 TDE= -0.136360 logGD-logG0= -0.019666 tlogG= -0.015819 logG= -0.035484 Density= 0.301176 ETOT(band)= 0.020821 trlgG= -0.021379 logG= -0.035484 TDE= -0.275066 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019643 tlogG= -0.014701 logG= -0.034344 Density= 0.299174 ETOT(band)= 0.020895 trlgG= -0.019969 logG= -0.034344 TDE= -0.272876 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009846 tlogG= -0.006602 logG= -0.016448 Density= 0.147275 ETOT(band)= 0.008454 trlgG= -0.011248 logG= -0.016448 TDE= -0.136205 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003200 tlogG= -0.002519 logG= -0.005720 Density= 0.045373 ETOT(band)= -0.000337 trlgG= -0.006991 logG= -0.005720 TDE= -0.044836 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003153 tlogG= -0.002595 logG= -0.005748 Density= 0.045883 ETOT(band)= 0.000583 trlgG= -0.005946 logG= -0.005748 TDE= -0.044253 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009612 tlogG= -0.007429 logG= -0.017041 Density= 0.136738 ETOT(band)= -0.000684 trlgG= -0.020559 logG= -0.017041 TDE= -0.134805 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009604 tlogG= -0.007344 logG= -0.016948 Density= 0.136609 ETOT(band)= -0.000628 trlgG= -0.020425 logG= -0.016948 TDE= -0.134641 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003182 tlogG= -0.002545 logG= -0.005727 Density= 0.045609 ETOT(band)= 0.000073 trlgG= -0.006514 logG= -0.005727 TDE= -0.044578 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009589 tlogG= -0.007272 logG= -0.016861 Density= 0.136657 ETOT(band)= -0.000234 trlgG= -0.019914 logG= -0.016861 TDE= -0.134263 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009532 tlogG= -0.007337 logG= -0.016869 Density= 0.137332 ETOT(band)= 0.001075 trlgG= -0.018366 logG= -0.016869 TDE= -0.133355 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009621 tlogG= -0.006634 logG= -0.016255 Density= 0.137886 ETOT(band)= 0.000726 trlgG= -0.018476 logG= -0.016255 TDE= -0.134611 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009716 tlogG= -0.006335 logG= -0.016052 Density= 0.140297 ETOT(band)= 0.003390 trlgG= -0.015481 logG= -0.016052 TDE= -0.134134 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009913 tlogG= -0.007112 logG= -0.017025 logGD-logG0= -0.009886 tlogG= -0.006488 logG= -0.016374 Density= 0.142541 ETOT(band)= 0.004366 trlgG= -0.015077 logG= -0.016374 TDE= -0.135563 logGD-logG0= -0.009850 tlogG= -0.007526 logG= -0.017376 Density= 0.148919 ETOT(band)= 0.010732 trlgG= -0.009947 logG= -0.017376 TDE= -0.135554 logGD-logG0= -0.004856 tlogG= -0.003084 logG= -0.007940 Density= 0.147581 ETOT(band)= 0.009122 trlgG= -0.011184 logG= -0.017025 TDE= -0.135859 Density= 0.067571 ETOT(band)= -0.001249 trlgG= -0.010611 logG= -0.007940 TDE= -0.067549 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009617 tlogG= -0.006817 logG= -0.016433 Density= 0.138465 ETOT(band)= 0.001678 trlgG= -0.017483 logG= -0.016433 TDE= -0.133996 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009721 tlogG= -0.005993 logG= -0.015714 logGD-logG0= -0.009676 tlogG= -0.005916 logG= -0.015592 Density= 0.138068 ETOT(band)= 0.001023 trlgG= -0.017509 logG= -0.015592 TDE= -0.134483 Density= 0.135826 ETOT(band)= -0.001481 trlgG= -0.020052 logG= -0.015714 TDE= -0.134750 logGD-logG0= -0.009562 tlogG= -0.006795 logG= -0.016357 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.139037 ETOT(band)= 0.002970 trlgG= -0.016006 logG= -0.016357 TDE= -0.133145 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009593 tlogG= -0.006502 logG= -0.016095 Density= 0.137652 ETOT(band)= 0.000988 trlgG= -0.017998 logG= -0.016095 TDE= -0.134069 logGD-logG0= -0.009567 tlogG= -0.007302 logG= -0.016869 Density= 0.136888 ETOT(band)= 0.000172 trlgG= -0.019428 logG= -0.016869 TDE= -0.133991 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004870 tlogG= -0.002564 logG= -0.007433 Density= 0.065390 ETOT(band)= -0.002665 trlgG= -0.011380 logG= -0.007433 TDE= -0.066730 logGD-logG0= -0.009702 tlogG= -0.005605 logG= -0.015307 Density= 0.133754 ETOT(band)= -0.003089 trlgG= -0.021194 logG= -0.015307 TDE= -0.134310 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009629 tlogG= -0.006600 logG= -0.016230 Density= 0.137831 ETOT(band)= 0.000752 trlgG= -0.018458 logG= -0.016230 TDE= -0.134567 logGD-logG0= -0.009657 tlogG= -0.005595 logG= -0.015252 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136873 ETOT(band)= 0.000363 trlgG= -0.017828 logG= -0.015252 TDE= -0.133993 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009692 tlogG= -0.006115 logG= -0.015807 Density= 0.138649 ETOT(band)= 0.001570 trlgG= -0.017099 logG= -0.015807 TDE= -0.134415 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009785 tlogG= -0.006554 logG= -0.016338 Density= 0.143536 ETOT(band)= 0.006815 trlgG= -0.012428 logG= -0.016338 TDE= -0.133904 logGD-logG0= -0.009614 tlogG= -0.006830 logG= -0.016444 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137493 ETOT(band)= 0.000266 trlgG= -0.019139 logG= -0.016444 TDE= -0.134708 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019341 tlogG= -0.012067 logG= -0.031409 Density= 0.278250 ETOT(band)= 0.004072 trlgG= -0.033351 logG= -0.031409 TDE= -0.269102 logGD-logG0= -0.019824 tlogG= -0.012720 logG= -0.032544 Density= 0.285246 ETOT(band)= 0.008384 trlgG= -0.030407 logG= -0.032544 TDE= -0.271739 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019324 tlogG= -0.011919 logG= -0.031243 Density= 0.277918 ETOT(band)= 0.004040 trlgG= -0.033176 logG= -0.031243 TDE= -0.268775 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019216 tlogG= -0.013664 logG= -0.032880 Density= 0.275156 ETOT(band)= 0.001161 trlgG= -0.037510 logG= -0.032880 TDE= -0.268819 logGD-logG0= -0.009932 tlogG= -0.006496 logG= -0.016429 Density= 0.143162 ETOT(band)= 0.004446 trlgG= -0.015156 logG= -0.016429 TDE= -0.136183 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019323 tlogG= -0.012216 logG= -0.031539 Density= 0.278061 ETOT(band)= 0.004472 trlgG= -0.032878 logG= -0.031539 TDE= -0.268318 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019447 tlogG= -0.011410 logG= -0.030857 Density= 0.275401 ETOT(band)= 0.001242 trlgG= -0.035392 logG= -0.030857 TDE= -0.268959 logGD-logG0= -0.019423 tlogG= -0.010793 logG= -0.030216 Density= 0.271431 ETOT(band)= -0.002052 trlgG= -0.038075 logG= -0.030216 TDE= -0.268471 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019147 tlogG= -0.013708 logG= -0.032855 Density= 0.275819 ETOT(band)= 0.002986 trlgG= -0.035268 logG= -0.032855 TDE= -0.267239 logGD-logG0= -0.019520 tlogG= -0.010128 logG= -0.029648 Density= 0.264138 ETOT(band)= -0.008242 trlgG= -0.043393 logG= -0.029648 TDE= -0.267356 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019864 tlogG= -0.012713 logG= -0.032577 Density= 0.289647 ETOT(band)= 0.014939 trlgG= -0.023754 logG= -0.032577 TDE= -0.269279 logGD-logG0= -0.019255 tlogG= -0.012306 logG= -0.031561 Density= 0.278930 ETOT(band)= 0.006489 trlgG= -0.030699 logG= -0.031561 TDE= -0.266951 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004950 tlogG= -0.003558 logG= -0.008508 Density= 0.074771 ETOT(band)= 0.005031 trlgG= -0.005117 logG= -0.008508 TDE= -0.068400 logGD-logG0= -0.019580 tlogG= -0.012018 logG= -0.031598 Density= 0.281500 ETOT(band)= 0.006949 trlgG= -0.030639 logG= -0.031598 TDE= -0.269320 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019537 tlogG= -0.010416 logG= -0.029953 Density= 0.278235 ETOT(band)= 0.004787 trlgG= -0.031024 logG= -0.029953 TDE= -0.268216 logGD-logG0= -0.000393 tlogG= 0.008634 logG= 0.008241 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.005717 ETOT(band)= 0.000063 trlgG= 0.008200 logG= 0.008241 TDE= -0.005530 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.009803 tlogG= -0.004848 logG= -0.014651 Density= 0.131020 ETOT(band)= -0.005158 trlgG= -0.022542 logG= -0.014651 TDE= -0.133689 logGD-logG0= -0.019248 tlogG= -0.011595 logG= -0.030843 Density= 0.276524 ETOT(band)= 0.003966 trlgG= -0.032660 logG= -0.030843 TDE= -0.267320 logGD-logG0= -0.019466 tlogG= -0.011631 logG= -0.031097 Density= 0.270071 ETOT(band)= -0.004578 trlgG= -0.041402 logG= -0.031097 TDE= -0.269612 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009728 tlogG= -0.005425 logG= -0.015154 logGD-logG0= -0.019474 tlogG= -0.010493 logG= -0.029967 Density= 0.133030 ETOT(band)= -0.003767 trlgG= -0.021655 logG= -0.015154 TDE= -0.134230 Density= 0.274844 ETOT(band)= 0.002386 trlgG= -0.033363 logG= -0.029967 TDE= -0.267286 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009795 tlogG= -0.005178 logG= -0.014972 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.140011 ETOT(band)= 0.002989 trlgG= -0.014969 logG= -0.014972 TDE= -0.134427 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019514 tlogG= -0.010555 logG= -0.030069 Density= 0.272346 ETOT(band)= -0.001746 trlgG= -0.037464 logG= -0.030069 TDE= -0.268886 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019685 tlogG= -0.011864 logG= -0.031549 Density= 0.280317 ETOT(band)= 0.004502 trlgG= -0.033130 logG= -0.031549 TDE= -0.270726 logGD-logG0= -0.019620 tlogG= -0.011100 logG= -0.030719 Density= 0.278252 ETOT(band)= 0.003826 trlgG= -0.032800 logG= -0.030719 TDE= -0.269243 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009949 tlogG= -0.005953 logG= -0.015901 Density= 0.144024 ETOT(band)= 0.006451 trlgG= -0.012501 logG= -0.015901 TDE= -0.134883 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019561 tlogG= -0.010036 logG= -0.029598 Density= 0.267174 ETOT(band)= -0.006088 trlgG= -0.041238 logG= -0.029598 TDE= -0.268166 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009736 tlogG= -0.005115 logG= -0.014851 Density= 0.136435 ETOT(band)= -0.000427 trlgG= -0.017968 logG= -0.014851 TDE= -0.134114 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009743 tlogG= -0.005468 logG= -0.015212 Density= 0.135858 ETOT(band)= -0.001291 trlgG= -0.019211 logG= -0.015212 TDE= -0.134443 logGD-logG0= -0.004876 tlogG= -0.002643 logG= -0.007519 Density= 0.068628 ETOT(band)= 0.000073 trlgG= -0.008883 logG= -0.007519 TDE= -0.067257 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009754 tlogG= -0.005249 logG= -0.015003 Density= 0.136915 ETOT(band)= -0.000074 trlgG= -0.017856 logG= -0.015003 TDE= -0.134312 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002476 tlogG= -0.001862 logG= -0.004338 logGD-logG0= -0.009488 tlogG= -0.008793 logG= -0.018281 Density= 0.036962 ETOT(band)= 0.002611 trlgG= -0.002514 logG= -0.004338 TDE= -0.033665 Density= 0.139460 ETOT(band)= 0.003714 trlgG= -0.017003 logG= -0.018281 TDE= -0.132623 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002374 tlogG= -0.002339 logG= -0.004713 Density= 0.034887 ETOT(band)= 0.000945 trlgG= -0.004408 logG= -0.004713 TDE= -0.033191 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009552 tlogG= -0.008412 logG= -0.017964 Density= 0.140905 ETOT(band)= 0.005085 trlgG= -0.015452 logG= -0.017964 TDE= -0.132777 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009585 tlogG= -0.007382 logG= -0.016967 Density= 0.137577 ETOT(band)= 0.001633 trlgG= -0.017866 logG= -0.016967 TDE= -0.132992 logGD-logG0= -0.009520 tlogG= -0.007956 logG= -0.017475 logGD-logG0= -0.009539 tlogG= -0.007729 logG= -0.017268 Density= 0.138866 ETOT(band)= 0.003282 trlgG= -0.016622 logG= -0.017475 TDE= -0.132478 Density= 0.138600 ETOT(band)= 0.002903 trlgG= -0.016745 logG= -0.017268 TDE= -0.132552 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002422 tlogG= -0.001965 logG= -0.004387 Density= 0.035815 ETOT(band)= 0.001778 trlgG= -0.003272 logG= -0.004387 TDE= -0.033274 logGD-logG0= -0.009604 tlogG= -0.007307 logG= -0.016911 Density= 0.141034 ETOT(band)= 0.005280 trlgG= -0.014312 logG= -0.016911 TDE= -0.132814 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009838 tlogG= -0.007162 logG= -0.017001 Density= 0.144917 ETOT(band)= 0.008434 trlgG= -0.011378 logG= -0.017001 TDE= -0.133518 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004761 tlogG= -0.004010 logG= -0.008771 Density= 0.069958 ETOT(band)= 0.002161 trlgG= -0.007854 logG= -0.008771 TDE= -0.066252 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009643 tlogG= -0.006330 logG= -0.015973 Density= 0.137431 ETOT(band)= 0.001683 trlgG= -0.017108 logG= -0.015973 TDE= -0.133089 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009593 tlogG= -0.006865 logG= -0.016458 Density= 0.139381 ETOT(band)= 0.003949 trlgG= -0.015108 logG= -0.016458 TDE= -0.132476 logGD-logG0= -0.009757 tlogG= -0.005303 logG= -0.015060 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.133896 ETOT(band)= -0.001773 trlgG= -0.019622 logG= -0.015060 TDE= -0.133121 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019427 tlogG= -0.013196 logG= -0.032623 logGD-logG0= -0.019085 tlogG= -0.015719 logG= -0.034805 Density= 0.284788 ETOT(band)= 0.012797 trlgG= -0.025549 logG= -0.032623 TDE= -0.266364 Density= 0.280480 ETOT(band)= 0.009156 trlgG= -0.030671 logG= -0.034805 TDE= -0.265167 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004854 tlogG= -0.002812 logG= -0.007666 Density= 0.068455 ETOT(band)= 0.000835 trlgG= -0.008223 logG= -0.007666 TDE= -0.066283 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009487 tlogG= -0.009024 logG= -0.018510 Density= 0.139654 ETOT(band)= 0.003905 trlgG= -0.017109 logG= -0.018510 TDE= -0.132686 logGD-logG0= -0.009792 tlogG= -0.004988 logG= -0.014780 Density= 0.130820 ETOT(band)= -0.004642 trlgG= -0.022144 logG= -0.014780 TDE= -0.132970 logGD-logG0= -0.009957 tlogG= -0.006697 logG= -0.016654 Density= 0.145789 ETOT(band)= 0.008887 trlgG= -0.010889 logG= -0.016654 TDE= -0.134213 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009818 tlogG= -0.005674 logG= -0.015492 Density= 0.141528 ETOT(band)= 0.005469 trlgG= -0.013051 logG= -0.015492 TDE= -0.133446 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009649 tlogG= -0.007509 logG= -0.017158 logGD-logG0= -0.019196 tlogG= -0.013934 logG= -0.033131 Density= 0.142523 ETOT(band)= 0.006581 trlgG= -0.013257 logG= -0.017158 TDE= -0.132941 Density= 0.277608 ETOT(band)= 0.006280 trlgG= -0.031957 logG= -0.033131 TDE= -0.265369 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019365 tlogG= -0.011653 logG= -0.031018 Density= 0.277039 ETOT(band)= 0.005977 trlgG= -0.030724 logG= -0.031018 TDE= -0.265703 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009628 tlogG= -0.006640 logG= -0.016268 Density= 0.140856 ETOT(band)= 0.005353 trlgG= -0.013706 logG= -0.016268 TDE= -0.132680 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003182 tlogG= 0.069884 logG= 0.066702 Density= 0.046288 ETOT(band)= 0.001063 trlgG= 0.066962 logG= 0.066702 TDE= -0.044183 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003163 tlogG= 0.069486 logG= 0.066323 Density= 0.046215 ETOT(band)= 0.000961 trlgG= 0.066465 logG= 0.066323 TDE= -0.044231 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003152 tlogG= 0.069202 logG= 0.066050 Density= 0.045858 ETOT(band)= 0.000634 trlgG= 0.065839 logG= 0.066050 TDE= -0.044241 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002365 tlogG= 0.051921 logG= 0.049556 Density= 0.034458 ETOT(band)= 0.000526 trlgG= 0.049456 logG= 0.049556 TDE= -0.033184 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004733 tlogG= 0.104056 logG= 0.099323 Density= 0.069162 ETOT(band)= 0.001288 trlgG= 0.099368 logG= 0.099323 TDE= -0.066360 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009484 tlogG= 0.208475 logG= 0.198991 Density= 0.138615 ETOT(band)= 0.002915 trlgG= 0.199367 logG= 0.198991 TDE= -0.132715 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009520 tlogG= 0.209176 logG= 0.199656 Density= 0.139125 ETOT(band)= 0.003448 trlgG= 0.200601 logG= 0.199656 TDE= -0.132635 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.53521287864330 eV TrLogG= -14.0848080885756 eV Ratio to renormalize= 0.999999999715 rho-rho_expected= 0.000000004567 nargs= 1 argi=dmft2.def 4) Finished k-point number 5 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 31) Finished k-point number 32 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 34) Finished k-point number 35 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 45) Finished k-point number 46 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 20 46) Finished k-point number 47 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 47) Finished k-point number 48 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 95) Finished k-point number 96 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 93) Finished k-point number 94 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931350594881174 0.928037279553721 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 96) Finished k-point number 97 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0634019832685 Density= 16.0006644539266 16.0000000000000 EF 12.7912881511549 Density= 15.3668721707352 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96014242 0.94014242 0.664454E-03 -0.633128 1 0.96012145 0.94014242 0.925720E-04 -0.633128 2 0.96011806 0.96012145 -0.144353E-08 0.925720E-04 3 0.96011806 0.96011806 0.128443E-08 -0.144353E-08 4 0.96011806 0.96011806 -0.144353E-08 0.128443E-08 5 0.96011806 0.96011806 -0.144353E-08 0.128443E-08 Absolute convergence of the X interval. Difference in EF= -0.0003314501 EF set to : 13.0630705331 new EF (no-mixing): 13.0630705331 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001229 tlogG= -0.001243 logG= -0.002472 Density= 0.018969 ETOT(band)= 0.001227 trlgG= -0.001649 logG= -0.002472 TDE= -0.017390 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009807 tlogG= -0.009485 logG= -0.019291 Density= 0.151649 ETOT(band)= 0.010066 trlgG= -0.012462 logG= -0.019291 TDE= -0.138772 logGD-logG0= -0.002450 tlogG= -0.002392 logG= -0.004842 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 Density= 0.037887 ETOT(band)= 0.002547 trlgG= -0.003108 logG= -0.004842 TDE= -0.034642 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004899 tlogG= -0.004595 logG= -0.009494 Density= 0.075799 ETOT(band)= 0.005113 trlgG= -0.006001 logG= -0.009494 TDE= -0.069282 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002455 tlogG= -0.002069 logG= -0.004524 Density= 0.037431 ETOT(band)= 0.002575 trlgG= -0.002807 logG= -0.004524 TDE= -0.034222 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001603 tlogG= -0.001312 logG= -0.002915 Density= 0.022775 ETOT(band)= -0.000169 trlgG= -0.003531 logG= -0.002915 TDE= -0.022482 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009854 tlogG= -0.006650 logG= -0.016504 Density= 0.143896 ETOT(band)= 0.005021 trlgG= -0.014672 logG= -0.016504 TDE= -0.136325 logGD-logG0= -0.009833 tlogG= -0.008021 logG= -0.017855 Density= 0.150512 ETOT(band)= 0.010447 trlgG= -0.010763 logG= -0.017855 TDE= -0.137418 logGD-logG0= -0.009837 tlogG= -0.008627 logG= -0.018464 Density= 0.150716 ETOT(band)= 0.010531 trlgG= -0.011306 logG= -0.018464 TDE= -0.137547 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004919 tlogG= -0.004173 logG= -0.009093 Density= 0.075457 ETOT(band)= 0.005146 trlgG= -0.005632 logG= -0.009093 TDE= -0.068987 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009848 tlogG= -0.008759 logG= -0.018607 Density= 0.151168 ETOT(band)= 0.010527 trlgG= -0.011411 logG= -0.018607 TDE= -0.137943 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009808 tlogG= -0.007762 logG= -0.017570 Density= 0.149887 ETOT(band)= 0.010872 trlgG= -0.010020 logG= -0.017570 TDE= -0.136359 logGD-logG0= -0.019665 tlogG= -0.015818 logG= -0.035484 Density= 0.301179 ETOT(band)= 0.020819 trlgG= -0.021380 logG= -0.035484 TDE= -0.275064 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019642 tlogG= -0.014701 logG= -0.034343 Density= 0.299181 ETOT(band)= 0.020896 trlgG= -0.019968 logG= -0.034343 TDE= -0.272874 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009846 tlogG= -0.006602 logG= -0.016448 Density= 0.147277 ETOT(band)= 0.008453 trlgG= -0.011249 logG= -0.016448 TDE= -0.136204 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003200 tlogG= -0.002519 logG= -0.005719 Density= 0.045374 ETOT(band)= -0.000338 trlgG= -0.006991 logG= -0.005719 TDE= -0.044836 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003182 tlogG= -0.002545 logG= -0.005727 Density= 0.045609 ETOT(band)= 0.000072 trlgG= -0.006514 logG= -0.005727 TDE= -0.044578 logGD-logG0= -0.003153 tlogG= -0.002595 logG= -0.005748 Density= 0.045884 ETOT(band)= 0.000583 trlgG= -0.005948 logG= -0.005748 TDE= -0.044253 logGD-logG0= -0.009612 tlogG= -0.007431 logG= -0.017043 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136740 ETOT(band)= -0.000685 trlgG= -0.020561 logG= -0.017043 TDE= -0.134805 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009604 tlogG= -0.007344 logG= -0.016948 Density= 0.136609 ETOT(band)= -0.000631 trlgG= -0.020427 logG= -0.016948 TDE= -0.134641 logGD-logG0= -0.009589 tlogG= -0.007269 logG= -0.016858 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136657 ETOT(band)= -0.000237 trlgG= -0.019913 logG= -0.016858 TDE= -0.134262 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009621 tlogG= -0.006634 logG= -0.016255 Density= 0.137886 ETOT(band)= 0.000723 trlgG= -0.018479 logG= -0.016255 TDE= -0.134610 logGD-logG0= -0.009532 tlogG= -0.007337 logG= -0.016868 Density= 0.137333 ETOT(band)= 0.001072 trlgG= -0.018367 logG= -0.016868 TDE= -0.133355 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009593 tlogG= -0.006503 logG= -0.016097 Density= 0.137654 ETOT(band)= 0.000987 trlgG= -0.018001 logG= -0.016097 TDE= -0.134068 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009568 tlogG= -0.007303 logG= -0.016871 Density= 0.136888 ETOT(band)= 0.000170 trlgG= -0.019433 logG= -0.016871 TDE= -0.133991 logGD-logG0= -0.009850 tlogG= -0.007525 logG= -0.017376 logGD-logG0= -0.009913 tlogG= -0.007112 logG= -0.017025 Density= 0.147584 ETOT(band)= 0.009121 trlgG= -0.011184 logG= -0.017025 TDE= -0.135858 Density= 0.148925 ETOT(band)= 0.010735 trlgG= -0.009943 logG= -0.017376 TDE= -0.135553 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009716 tlogG= -0.006335 logG= -0.016051 Density= 0.140297 ETOT(band)= 0.003387 trlgG= -0.015483 logG= -0.016051 TDE= -0.134133 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009676 tlogG= -0.005915 logG= -0.015591 logGD-logG0= -0.009886 tlogG= -0.006489 logG= -0.016375 Density= 0.142537 ETOT(band)= 0.004359 trlgG= -0.015084 logG= -0.016375 TDE= -0.135562 Density= 0.138065 ETOT(band)= 0.001016 trlgG= -0.017514 logG= -0.015591 TDE= -0.134482 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009629 tlogG= -0.006599 logG= -0.016228 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137833 ETOT(band)= 0.000750 trlgG= -0.018459 logG= -0.016228 TDE= -0.134566 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009656 tlogG= -0.005595 logG= -0.015251 logGD-logG0= -0.004856 tlogG= -0.003085 logG= -0.007941 Density= 0.136871 ETOT(band)= 0.000358 trlgG= -0.017831 logG= -0.015251 TDE= -0.133992 Density= 0.067573 ETOT(band)= -0.001249 trlgG= -0.010612 logG= -0.007941 TDE= -0.067549 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009785 tlogG= -0.006554 logG= -0.016338 Density= 0.143535 ETOT(band)= 0.006811 trlgG= -0.012432 logG= -0.016338 TDE= -0.133904 logGD-logG0= -0.009721 tlogG= -0.005994 logG= -0.015715 Density= 0.135825 ETOT(band)= -0.001484 trlgG= -0.020057 logG= -0.015715 TDE= -0.134750 logGD-logG0= -0.009692 tlogG= -0.006115 logG= -0.015807 Density= 0.138649 ETOT(band)= 0.001567 trlgG= -0.017101 logG= -0.015807 TDE= -0.134414 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004868 tlogG= -0.002563 logG= -0.007431 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.065392 ETOT(band)= -0.002666 trlgG= -0.011377 logG= -0.007431 TDE= -0.066729 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009616 tlogG= -0.006816 logG= -0.016432 Density= 0.138466 ETOT(band)= 0.001676 trlgG= -0.017484 logG= -0.016432 TDE= -0.133995 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009562 tlogG= -0.006794 logG= -0.016356 Density= 0.139038 ETOT(band)= 0.002968 trlgG= -0.016008 logG= -0.016356 TDE= -0.133144 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009614 tlogG= -0.006829 logG= -0.016443 Density= 0.137495 ETOT(band)= 0.000266 trlgG= -0.019139 logG= -0.016443 TDE= -0.134707 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009702 tlogG= -0.005605 logG= -0.015306 Density= 0.133750 ETOT(band)= -0.003097 trlgG= -0.021199 logG= -0.015306 TDE= -0.134309 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009932 tlogG= -0.006496 logG= -0.016428 Density= 0.143156 ETOT(band)= 0.004437 trlgG= -0.015163 logG= -0.016428 TDE= -0.136182 logGD-logG0= -0.019824 tlogG= -0.012721 logG= -0.032545 Density= 0.285241 ETOT(band)= 0.008374 trlgG= -0.030418 logG= -0.032545 TDE= -0.271737 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019324 tlogG= -0.011909 logG= -0.031233 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.277922 ETOT(band)= 0.004039 trlgG= -0.033168 logG= -0.031233 TDE= -0.268773 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019216 tlogG= -0.013659 logG= -0.032875 Density= 0.275159 ETOT(band)= 0.001158 trlgG= -0.037508 logG= -0.032875 TDE= -0.268818 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019343 tlogG= -0.012065 logG= -0.031408 Density= 0.278250 ETOT(band)= 0.004067 trlgG= -0.033356 logG= -0.031408 TDE= -0.269101 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019580 tlogG= -0.012020 logG= -0.031600 Density= 0.281500 ETOT(band)= 0.006943 trlgG= -0.030645 logG= -0.031600 TDE= -0.269319 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004950 tlogG= -0.003558 logG= -0.008508 Density= 0.074772 ETOT(band)= 0.005031 trlgG= -0.005118 logG= -0.008508 TDE= -0.068400 logGD-logG0= -0.019520 tlogG= -0.010127 logG= -0.029647 logGD-logG0= -0.019427 tlogG= -0.010799 logG= -0.030226 Density= 0.271446 ETOT(band)= -0.002040 trlgG= -0.038076 logG= -0.030226 TDE= -0.268470 Density= 0.264129 ETOT(band)= -0.008257 trlgG= -0.043406 logG= -0.029647 TDE= -0.267355 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019447 tlogG= -0.011405 logG= -0.030852 Density= 0.275397 ETOT(band)= 0.001233 trlgG= -0.035395 logG= -0.030852 TDE= -0.268958 logGD-logG0= -0.019255 tlogG= -0.012303 logG= -0.031558 Density= 0.278928 ETOT(band)= 0.006482 trlgG= -0.030704 logG= -0.031558 TDE= -0.266949 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019323 tlogG= -0.012215 logG= -0.031538 Density= 0.278062 ETOT(band)= 0.004468 trlgG= -0.032882 logG= -0.031538 TDE= -0.268317 logGD-logG0= -0.000393 tlogG= 0.008634 logG= 0.008241 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.005717 ETOT(band)= 0.000063 trlgG= 0.008200 logG= 0.008241 TDE= -0.005530 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019248 tlogG= -0.011596 logG= -0.030844 Density= 0.276526 ETOT(band)= 0.003962 trlgG= -0.032665 logG= -0.030844 TDE= -0.267318 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019467 tlogG= -0.011633 logG= -0.031100 Density= 0.270075 ETOT(band)= -0.004580 trlgG= -0.041407 logG= -0.031100 TDE= -0.269611 logGD-logG0= -0.019537 tlogG= -0.010414 logG= -0.029951 Density= 0.278222 ETOT(band)= 0.004767 trlgG= -0.031040 logG= -0.029951 TDE= -0.268215 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019147 tlogG= -0.013708 logG= -0.032856 logGD-logG0= -0.019685 tlogG= -0.011865 logG= -0.031550 Density= 0.275818 ETOT(band)= 0.002980 trlgG= -0.035276 logG= -0.032856 TDE= -0.267238 Density= 0.280318 ETOT(band)= 0.004497 trlgG= -0.033136 logG= -0.031550 TDE= -0.270724 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019515 tlogG= -0.010558 logG= -0.030074 logGD-logG0= -0.019864 tlogG= -0.012712 logG= -0.032576 Density= 0.272350 ETOT(band)= -0.001747 trlgG= -0.037470 logG= -0.030074 TDE= -0.268884 Density= 0.289656 ETOT(band)= 0.014941 trlgG= -0.023750 logG= -0.032576 TDE= -0.269277 logGD-logG0= -0.009804 tlogG= -0.004850 logG= -0.014654 Density= 0.131020 ETOT(band)= -0.005161 trlgG= -0.022548 logG= -0.014654 TDE= -0.133688 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009727 tlogG= -0.005428 logG= -0.015154 Density= 0.133044 ETOT(band)= -0.003759 trlgG= -0.021646 logG= -0.015154 TDE= -0.134229 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019620 tlogG= -0.011097 logG= -0.030716 Density= 0.278241 ETOT(band)= 0.003809 trlgG= -0.032814 logG= -0.030716 TDE= -0.269241 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009795 tlogG= -0.005178 logG= -0.014973 logGD-logG0= -0.009949 tlogG= -0.005953 logG= -0.015901 Density= 0.144023 ETOT(band)= 0.006448 trlgG= -0.012504 logG= -0.015901 TDE= -0.134882 Density= 0.140012 ETOT(band)= 0.002987 trlgG= -0.014971 logG= -0.014973 TDE= -0.134426 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019562 tlogG= -0.010037 logG= -0.029599 Density= 0.267166 ETOT(band)= -0.006101 trlgG= -0.041252 logG= -0.029599 TDE= -0.268165 logGD-logG0= -0.019474 tlogG= -0.010492 logG= -0.029966 Density= 0.274830 ETOT(band)= 0.002366 trlgG= -0.033381 logG= -0.029966 TDE= -0.267284 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009734 tlogG= -0.005112 logG= -0.014846 Density= 0.136434 ETOT(band)= -0.000433 trlgG= -0.017967 logG= -0.014846 TDE= -0.134113 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009754 tlogG= -0.005249 logG= -0.015003 Density= 0.136915 ETOT(band)= -0.000078 trlgG= -0.017860 logG= -0.015003 TDE= -0.134311 logGD-logG0= -0.009743 tlogG= -0.005468 logG= -0.015211 Density= 0.135858 ETOT(band)= -0.001294 trlgG= -0.019214 logG= -0.015211 TDE= -0.134442 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004876 tlogG= -0.002643 logG= -0.007519 Density= 0.068628 ETOT(band)= 0.000071 trlgG= -0.008885 logG= -0.007519 TDE= -0.067256 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002476 tlogG= -0.001862 logG= -0.004338 Density= 0.036962 ETOT(band)= 0.002611 trlgG= -0.002515 logG= -0.004338 TDE= -0.033665 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002374 tlogG= -0.002339 logG= -0.004713 Density= 0.034887 ETOT(band)= 0.000944 trlgG= -0.004408 logG= -0.004713 TDE= -0.033191 logGD-logG0= -0.009539 tlogG= -0.007729 logG= -0.017267 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.138600 ETOT(band)= 0.002900 trlgG= -0.016747 logG= -0.017267 TDE= -0.132552 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009488 tlogG= -0.008794 logG= -0.018282 Density= 0.139460 ETOT(band)= 0.003712 trlgG= -0.017006 logG= -0.018282 TDE= -0.132622 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009585 tlogG= -0.007382 logG= -0.016967 Density= 0.137578 ETOT(band)= 0.001630 trlgG= -0.017868 logG= -0.016967 TDE= -0.132991 logGD-logG0= -0.009553 tlogG= -0.008412 logG= -0.017965 logGD-logG0= -0.009605 tlogG= -0.007307 logG= -0.016911 Density= 0.140906 ETOT(band)= 0.005083 trlgG= -0.015455 logG= -0.017965 TDE= -0.132777 Density= 0.141034 ETOT(band)= 0.005277 trlgG= -0.014315 logG= -0.016911 TDE= -0.132813 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009838 tlogG= -0.007162 logG= -0.017000 Density= 0.144916 ETOT(band)= 0.008429 trlgG= -0.011381 logG= -0.017000 TDE= -0.133517 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009520 tlogG= -0.007957 logG= -0.017477 Density= 0.138866 ETOT(band)= 0.003279 trlgG= -0.016626 logG= -0.017477 TDE= -0.132477 logGD-logG0= -0.004761 tlogG= -0.004010 logG= -0.008771 logGD-logG0= -0.002422 tlogG= -0.001965 logG= -0.004387 Density= 0.069958 ETOT(band)= 0.002160 trlgG= -0.007855 logG= -0.008771 TDE= -0.066251 Density= 0.035815 ETOT(band)= 0.001777 trlgG= -0.003273 logG= -0.004387 TDE= -0.033274 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009593 tlogG= -0.006864 logG= -0.016457 Density= 0.139382 ETOT(band)= 0.003947 trlgG= -0.015109 logG= -0.016457 TDE= -0.132475 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009757 tlogG= -0.005302 logG= -0.015059 Density= 0.133889 ETOT(band)= -0.001783 trlgG= -0.019630 logG= -0.015059 TDE= -0.133121 logGD-logG0= -0.019085 tlogG= -0.015720 logG= -0.034805 Density= 0.280480 ETOT(band)= 0.009150 trlgG= -0.030677 logG= -0.034805 TDE= -0.265166 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009643 tlogG= -0.006330 logG= -0.015973 Density= 0.137431 ETOT(band)= 0.001680 trlgG= -0.017111 logG= -0.015973 TDE= -0.133089 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009487 tlogG= -0.009024 logG= -0.018511 Density= 0.139654 ETOT(band)= 0.003902 trlgG= -0.017112 logG= -0.018511 TDE= -0.132685 logGD-logG0= -0.004854 tlogG= -0.002812 logG= -0.007666 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.068457 ETOT(band)= 0.000836 trlgG= -0.008222 logG= -0.007666 TDE= -0.066283 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019427 tlogG= -0.013197 logG= -0.032624 Density= 0.284785 ETOT(band)= 0.012788 trlgG= -0.025559 logG= -0.032624 TDE= -0.266362 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009792 tlogG= -0.004989 logG= -0.014782 Density= 0.130817 ETOT(band)= -0.004648 trlgG= -0.022151 logG= -0.014782 TDE= -0.132969 logGD-logG0= -0.009649 tlogG= -0.007509 logG= -0.017158 Density= 0.142523 ETOT(band)= 0.006578 trlgG= -0.013260 logG= -0.017158 TDE= -0.132941 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009957 tlogG= -0.006697 logG= -0.016654 Density= 0.145790 ETOT(band)= 0.008885 trlgG= -0.010891 logG= -0.016654 TDE= -0.134212 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009818 tlogG= -0.005674 logG= -0.015492 Density= 0.141526 ETOT(band)= 0.005465 trlgG= -0.013056 logG= -0.015492 TDE= -0.133446 logGD-logG0= -0.019197 tlogG= -0.013935 logG= -0.033131 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.277609 ETOT(band)= 0.006275 trlgG= -0.031962 logG= -0.033131 TDE= -0.265368 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019364 tlogG= -0.011649 logG= -0.031013 Density= 0.277034 ETOT(band)= 0.005965 trlgG= -0.030729 logG= -0.031013 TDE= -0.265702 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009629 tlogG= -0.006648 logG= -0.016276 Density= 0.140854 ETOT(band)= 0.005347 trlgG= -0.013720 logG= -0.016276 TDE= -0.132680 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003182 tlogG= 0.069882 logG= 0.066699 Density= 0.046288 ETOT(band)= 0.001062 trlgG= 0.066958 logG= 0.066699 TDE= -0.044183 logGD-logG0= -0.003152 tlogG= 0.069200 logG= 0.066048 Density= 0.045859 ETOT(band)= 0.000633 trlgG= 0.065836 logG= 0.066048 TDE= -0.044241 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003163 tlogG= 0.069484 logG= 0.066322 Density= 0.046215 ETOT(band)= 0.000960 trlgG= 0.066463 logG= 0.066322 TDE= -0.044231 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002365 tlogG= 0.051919 logG= 0.049554 Density= 0.034458 ETOT(band)= 0.000526 trlgG= 0.049454 logG= 0.049554 TDE= -0.033184 logGD-logG0= -0.004733 tlogG= 0.104052 logG= 0.099319 Density= 0.069162 ETOT(band)= 0.001287 trlgG= 0.099363 logG= 0.099319 TDE= -0.066360 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009483 tlogG= 0.208469 logG= 0.198986 Density= 0.138616 ETOT(band)= 0.002912 trlgG= 0.199359 logG= 0.198986 TDE= -0.132714 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009520 tlogG= 0.209172 logG= 0.199652 Density= 0.139125 ETOT(band)= 0.003445 trlgG= 0.200594 logG= 0.199652 TDE= -0.132635 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.53056986937383 eV TrLogG= -14.0891762988829 eV Ratio to renormalize= 0.999999999809 rho-rho_expected= 0.000000003059 nargs= 1 argi=dmft2.def 13) Finished k-point number 14 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 37) Finished k-point number 38 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 88) Finished k-point number 89 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 91) Finished k-point number 92 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 87) Finished k-point number 88 1 with #bands= 18 16) Finished k-point number 17 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 55) Finished k-point number 56 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 76) Finished k-point number 77 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931397063103541 0.927982419846040 7) Finished k-point number 8 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 35) Finished k-point number 36 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 16) Finished k-point number 17 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 52) Finished k-point number 53 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 60) Finished k-point number 61 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 23) Finished k-point number 24 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 94) Finished k-point number 95 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0630705331308 Density= 15.9997924861153 16.0000000000000 EF 13.3351843652444 Density= 16.5007022878233 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98011806 0.96011806 0.500702 -0.207514E-03 1 0.97011806 0.96011808 0.259174 -0.207514E-03 2 0.96511807 0.96011783 0.132322 -0.207514E-03 3 0.96261795 0.96011796 0.669476E-01 -0.207514E-03 4 0.96136795 0.96011789 0.336215E-01 -0.207514E-03 5 0.96074292 0.96011816 0.167718E-01 -0.207514E-03 6 0.96043054 0.96011827 0.830075E-02 -0.207514E-03 7 0.96027441 0.96011821 0.405379E-02 -0.207514E-03 8 0.96019631 0.96011800 0.192634E-02 -0.207514E-03 9 0.96015716 0.96011811 0.858891E-03 -0.207514E-03 10 0.96013763 0.96011806 0.326410E-03 -0.207514E-03 11 0.96012784 0.96011808 0.593934E-04 -0.207514E-03 12 0.96012567 0.96011808 0.141582E-06 -0.207514E-03 13 0.96012567 0.96011808 0.880398E-10 -0.207514E-03 Absolute convergence of |F(X)|. Difference in EF= 0.0001034857 EF set to : 13.0631740188 new EF (no-mixing): 13.0631740188 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001229 tlogG= -0.001243 logG= -0.002472 Density= 0.018969 ETOT(band)= 0.001227 trlgG= -0.001649 logG= -0.002472 TDE= -0.017390 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009807 tlogG= -0.009485 logG= -0.019291 Density= 0.151649 ETOT(band)= 0.010067 trlgG= -0.012461 logG= -0.019291 TDE= -0.138772 logGD-logG0= -0.002450 tlogG= -0.002392 logG= -0.004842 Density= 0.037887 ETOT(band)= 0.002547 trlgG= -0.003108 logG= -0.004842 TDE= -0.034642 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004899 tlogG= -0.004595 logG= -0.009494 Density= 0.075799 ETOT(band)= 0.005113 trlgG= -0.006001 logG= -0.009494 TDE= -0.069283 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002455 tlogG= -0.002069 logG= -0.004523 Density= 0.037431 ETOT(band)= 0.002575 trlgG= -0.002807 logG= -0.004523 TDE= -0.034222 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001603 tlogG= -0.001312 logG= -0.002915 Density= 0.022775 ETOT(band)= -0.000169 trlgG= -0.003531 logG= -0.002915 TDE= -0.022482 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009833 tlogG= -0.008021 logG= -0.017854 Density= 0.150512 ETOT(band)= 0.010448 trlgG= -0.010762 logG= -0.017854 TDE= -0.137418 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009837 tlogG= -0.008626 logG= -0.018464 Density= 0.150714 ETOT(band)= 0.010530 trlgG= -0.011306 logG= -0.018464 TDE= -0.137547 logGD-logG0= -0.009807 tlogG= -0.007762 logG= -0.017570 Density= 0.149886 ETOT(band)= 0.010872 trlgG= -0.010020 logG= -0.017570 TDE= -0.136359 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019665 tlogG= -0.015817 logG= -0.035482 Density= 0.301179 ETOT(band)= 0.020820 trlgG= -0.021378 logG= -0.035482 TDE= -0.275065 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009854 tlogG= -0.006651 logG= -0.016505 Density= 0.143889 ETOT(band)= 0.005015 trlgG= -0.014678 logG= -0.016505 TDE= -0.136325 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004919 tlogG= -0.004173 logG= -0.009093 Density= 0.075456 ETOT(band)= 0.005145 trlgG= -0.005632 logG= -0.009093 TDE= -0.068987 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019642 tlogG= -0.014701 logG= -0.034343 Density= 0.299179 ETOT(band)= 0.020895 trlgG= -0.019968 logG= -0.034343 TDE= -0.272874 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009848 tlogG= -0.008759 logG= -0.018607 Density= 0.151168 ETOT(band)= 0.010527 trlgG= -0.011411 logG= -0.018607 TDE= -0.137944 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003200 tlogG= -0.002519 logG= -0.005719 Density= 0.045373 ETOT(band)= -0.000338 trlgG= -0.006991 logG= -0.005719 TDE= -0.044836 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003153 tlogG= -0.002594 logG= -0.005747 Density= 0.045884 ETOT(band)= 0.000583 trlgG= -0.005946 logG= -0.005747 TDE= -0.044253 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009612 tlogG= -0.007431 logG= -0.017043 Density= 0.136740 ETOT(band)= -0.000684 trlgG= -0.020561 logG= -0.017043 TDE= -0.134805 logGD-logG0= -0.003182 tlogG= -0.002545 logG= -0.005726 Density= 0.045609 ETOT(band)= 0.000073 trlgG= -0.006514 logG= -0.005726 TDE= -0.044578 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009604 tlogG= -0.007344 logG= -0.016948 Density= 0.136610 ETOT(band)= -0.000629 trlgG= -0.020426 logG= -0.016948 TDE= -0.134641 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009589 tlogG= -0.007271 logG= -0.016860 Density= 0.136657 ETOT(band)= -0.000237 trlgG= -0.019914 logG= -0.016860 TDE= -0.134262 logGD-logG0= -0.009621 tlogG= -0.006631 logG= -0.016252 Density= 0.137887 ETOT(band)= 0.000726 trlgG= -0.018474 logG= -0.016252 TDE= -0.134611 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009532 tlogG= -0.007338 logG= -0.016869 Density= 0.137333 ETOT(band)= 0.001073 trlgG= -0.018367 logG= -0.016869 TDE= -0.133355 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009846 tlogG= -0.006602 logG= -0.016448 Density= 0.147276 ETOT(band)= 0.008452 trlgG= -0.011249 logG= -0.016448 TDE= -0.136205 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009616 tlogG= -0.006816 logG= -0.016432 Density= 0.138466 ETOT(band)= 0.001677 trlgG= -0.017484 logG= -0.016432 TDE= -0.133995 logGD-logG0= -0.009785 tlogG= -0.006553 logG= -0.016338 Density= 0.143536 ETOT(band)= 0.006813 trlgG= -0.012429 logG= -0.016338 TDE= -0.133904 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009593 tlogG= -0.006499 logG= -0.016092 Density= 0.137654 ETOT(band)= 0.000988 trlgG= -0.017995 logG= -0.016092 TDE= -0.134069 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009562 tlogG= -0.006794 logG= -0.016356 Density= 0.139038 ETOT(band)= 0.002969 trlgG= -0.016007 logG= -0.016356 TDE= -0.133144 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004869 tlogG= -0.002563 logG= -0.007432 Density= 0.065382 ETOT(band)= -0.002674 trlgG= -0.011386 logG= -0.007432 TDE= -0.066730 logGD-logG0= -0.009655 tlogG= -0.005592 logG= -0.015247 Density= 0.136871 ETOT(band)= 0.000358 trlgG= -0.017826 logG= -0.015247 TDE= -0.133993 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009613 tlogG= -0.006830 logG= -0.016443 Density= 0.137493 ETOT(band)= 0.000265 trlgG= -0.019139 logG= -0.016443 TDE= -0.134707 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009567 tlogG= -0.007302 logG= -0.016869 Density= 0.136888 ETOT(band)= 0.000171 trlgG= -0.019430 logG= -0.016869 TDE= -0.133991 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019324 tlogG= -0.011914 logG= -0.031237 Density= 0.277918 ETOT(band)= 0.004036 trlgG= -0.033174 logG= -0.031237 TDE= -0.268774 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019341 tlogG= -0.012063 logG= -0.031405 Density= 0.278250 ETOT(band)= 0.004068 trlgG= -0.033351 logG= -0.031405 TDE= -0.269101 logGD-logG0= -0.019579 tlogG= -0.012019 logG= -0.031598 Density= 0.281499 ETOT(band)= 0.006944 trlgG= -0.030642 logG= -0.031598 TDE= -0.269319 logGD-logG0= -0.000393 tlogG= 0.008634 logG= 0.008241 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.005717 ETOT(band)= 0.000063 trlgG= 0.008200 logG= 0.008241 TDE= -0.005530 logGD-logG0= -0.019520 tlogG= -0.010128 logG= -0.029648 Density= 0.264154 ETOT(band)= -0.008230 trlgG= -0.043382 logG= -0.029648 TDE= -0.267355 logGD-logG0= -0.019429 tlogG= -0.010802 logG= -0.030231 Density= 0.271448 ETOT(band)= -0.002035 trlgG= -0.038077 logG= -0.030231 TDE= -0.268470 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019215 tlogG= -0.013658 logG= -0.032873 Density= 0.275159 ETOT(band)= 0.001159 trlgG= -0.037504 logG= -0.032873 TDE= -0.268818 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019254 tlogG= -0.012308 logG= -0.031561 Density= 0.278930 ETOT(band)= 0.006485 trlgG= -0.030703 logG= -0.031561 TDE= -0.266950 logGD-logG0= -0.019324 tlogG= -0.012215 logG= -0.031540 Density= 0.278063 ETOT(band)= 0.004472 trlgG= -0.032881 logG= -0.031540 TDE= -0.268317 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004950 tlogG= -0.003558 logG= -0.008508 Density= 0.074771 ETOT(band)= 0.005031 trlgG= -0.005118 logG= -0.008508 TDE= -0.068400 logGD-logG0= -0.019537 tlogG= -0.010415 logG= -0.029952 Density= 0.278236 ETOT(band)= 0.004783 trlgG= -0.031026 logG= -0.029952 TDE= -0.268215 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019467 tlogG= -0.011632 logG= -0.031099 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.270081 ETOT(band)= -0.004572 trlgG= -0.041400 logG= -0.031099 TDE= -0.269611 logGD-logG0= -0.009804 tlogG= -0.004849 logG= -0.014654 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.131021 ETOT(band)= -0.005158 trlgG= -0.022545 logG= -0.014654 TDE= -0.133688 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019249 tlogG= -0.011597 logG= -0.030845 logGD-logG0= -0.009729 tlogG= -0.005433 logG= -0.015162 Density= 0.276523 ETOT(band)= 0.003961 trlgG= -0.032667 logG= -0.030845 TDE= -0.267319 Density= 0.133052 ETOT(band)= -0.003747 trlgG= -0.021645 logG= -0.015162 TDE= -0.134230 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019147 tlogG= -0.013704 logG= -0.032851 Density= 0.275821 ETOT(band)= 0.002985 trlgG= -0.035266 logG= -0.032851 TDE= -0.267238 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019447 tlogG= -0.011410 logG= -0.030857 Density= 0.275398 ETOT(band)= 0.001235 trlgG= -0.035398 logG= -0.030857 TDE= -0.268958 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019514 tlogG= -0.010555 logG= -0.030070 Density= 0.272345 ETOT(band)= -0.001751 trlgG= -0.037469 logG= -0.030070 TDE= -0.268885 logGD-logG0= -0.019686 tlogG= -0.011865 logG= -0.031551 Density= 0.280321 ETOT(band)= 0.004502 trlgG= -0.033133 logG= -0.031551 TDE= -0.270725 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009932 tlogG= -0.006496 logG= -0.016427 Density= 0.143157 ETOT(band)= 0.004439 trlgG= -0.015161 logG= -0.016427 TDE= -0.136182 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009949 tlogG= -0.005953 logG= -0.015901 Density= 0.144023 ETOT(band)= 0.006449 trlgG= -0.012503 logG= -0.015901 TDE= -0.134882 logGD-logG0= -0.019824 tlogG= -0.012721 logG= -0.032544 Density= 0.285244 ETOT(band)= 0.008378 trlgG= -0.030412 logG= -0.032544 TDE= -0.271738 logGD-logG0= -0.019620 tlogG= -0.011098 logG= -0.030717 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278248 ETOT(band)= 0.003818 trlgG= -0.032805 logG= -0.030717 TDE= -0.269241 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019562 tlogG= -0.010035 logG= -0.029597 Density= 0.267159 ETOT(band)= -0.006106 trlgG= -0.041256 logG= -0.029597 TDE= -0.268165 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009629 tlogG= -0.006601 logG= -0.016230 Density= 0.137832 ETOT(band)= 0.000750 trlgG= -0.018460 logG= -0.016230 TDE= -0.134566 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004876 tlogG= -0.002643 logG= -0.007519 Density= 0.068628 ETOT(band)= 0.000072 trlgG= -0.008884 logG= -0.007519 TDE= -0.067256 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009743 tlogG= -0.005469 logG= -0.015212 Density= 0.135858 ETOT(band)= -0.001293 trlgG= -0.019213 logG= -0.015212 TDE= -0.134442 logGD-logG0= -0.009754 tlogG= -0.005249 logG= -0.015003 Density= 0.136915 ETOT(band)= -0.000077 trlgG= -0.017858 logG= -0.015003 TDE= -0.134311 logGD-logG0= -0.009735 tlogG= -0.005114 logG= -0.014849 Density= 0.136432 ETOT(band)= -0.000433 trlgG= -0.017970 logG= -0.014849 TDE= -0.134113 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009676 tlogG= -0.005915 logG= -0.015591 Density= 0.138067 ETOT(band)= 0.001019 trlgG= -0.017512 logG= -0.015591 TDE= -0.134482 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009794 tlogG= -0.005178 logG= -0.014971 Density= 0.140004 ETOT(band)= 0.002980 trlgG= -0.014976 logG= -0.014971 TDE= -0.134426 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019864 tlogG= -0.012711 logG= -0.032574 logGD-logG0= -0.009912 tlogG= -0.007113 logG= -0.017025 Density= 0.289653 ETOT(band)= 0.014941 trlgG= -0.023749 logG= -0.032574 TDE= -0.269278 Density= 0.147583 ETOT(band)= 0.009121 trlgG= -0.011185 logG= -0.017025 TDE= -0.135858 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019475 tlogG= -0.010491 logG= -0.029966 Density= 0.274795 ETOT(band)= 0.002333 trlgG= -0.033413 logG= -0.029966 TDE= -0.267285 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004856 tlogG= -0.003085 logG= -0.007941 Density= 0.067572 ETOT(band)= -0.001249 trlgG= -0.010613 logG= -0.007941 TDE= -0.067549 logGD-logG0= -0.009701 tlogG= -0.005603 logG= -0.015304 Density= 0.133746 ETOT(band)= -0.003101 trlgG= -0.021201 logG= -0.015304 TDE= -0.134309 logGD-logG0= -0.009885 tlogG= -0.006489 logG= -0.016374 Density= 0.142538 ETOT(band)= 0.004360 trlgG= -0.015083 logG= -0.016374 TDE= -0.135562 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009716 tlogG= -0.006335 logG= -0.016052 Density= 0.140297 ETOT(band)= 0.003388 trlgG= -0.015483 logG= -0.016052 TDE= -0.134134 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002476 tlogG= -0.001862 logG= -0.004338 Density= 0.036962 ETOT(band)= 0.002611 trlgG= -0.002515 logG= -0.004338 TDE= -0.033665 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009721 tlogG= -0.005993 logG= -0.015714 Density= 0.135825 ETOT(band)= -0.001484 trlgG= -0.020054 logG= -0.015714 TDE= -0.134750 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009850 tlogG= -0.007525 logG= -0.017376 Density= 0.148924 ETOT(band)= 0.010736 trlgG= -0.009943 logG= -0.017376 TDE= -0.135553 logGD-logG0= -0.009585 tlogG= -0.007382 logG= -0.016968 Density= 0.137578 ETOT(band)= 0.001631 trlgG= -0.017868 logG= -0.016968 TDE= -0.132992 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009488 tlogG= -0.008794 logG= -0.018281 Density= 0.139460 ETOT(band)= 0.003713 trlgG= -0.017005 logG= -0.018281 TDE= -0.132622 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009539 tlogG= -0.007728 logG= -0.017267 Density= 0.138600 ETOT(band)= 0.002901 trlgG= -0.016745 logG= -0.017267 TDE= -0.132552 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009520 tlogG= -0.007956 logG= -0.017476 Density= 0.138866 ETOT(band)= 0.003281 trlgG= -0.016624 logG= -0.017476 TDE= -0.132477 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009838 tlogG= -0.007162 logG= -0.017000 Density= 0.144916 ETOT(band)= 0.008431 trlgG= -0.011380 logG= -0.017000 TDE= -0.133517 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004761 tlogG= -0.004011 logG= -0.008772 Density= 0.069958 ETOT(band)= 0.002160 trlgG= -0.007855 logG= -0.008772 TDE= -0.066251 logGD-logG0= -0.009552 tlogG= -0.008411 logG= -0.017964 Density= 0.140906 ETOT(band)= 0.005083 trlgG= -0.015454 logG= -0.017964 TDE= -0.132777 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009756 tlogG= -0.005301 logG= -0.015057 Density= 0.133898 ETOT(band)= -0.001774 trlgG= -0.019619 logG= -0.015057 TDE= -0.133121 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009692 tlogG= -0.006115 logG= -0.015807 Density= 0.138649 ETOT(band)= 0.001569 trlgG= -0.017101 logG= -0.015807 TDE= -0.134414 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009593 tlogG= -0.006865 logG= -0.016459 Density= 0.139381 ETOT(band)= 0.003947 trlgG= -0.015111 logG= -0.016459 TDE= -0.132475 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019426 tlogG= -0.013195 logG= -0.032621 Density= 0.284786 ETOT(band)= 0.012790 trlgG= -0.025553 logG= -0.032621 TDE= -0.266363 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009792 tlogG= -0.004988 logG= -0.014780 Density= 0.130818 ETOT(band)= -0.004646 trlgG= -0.022148 logG= -0.014780 TDE= -0.132970 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019086 tlogG= -0.015719 logG= -0.034805 Density= 0.280480 ETOT(band)= 0.009153 trlgG= -0.030675 logG= -0.034805 TDE= -0.265166 logGD-logG0= -0.004854 tlogG= -0.002813 logG= -0.007667 Density= 0.068454 ETOT(band)= 0.000834 trlgG= -0.008225 logG= -0.007667 TDE= -0.066283 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009957 tlogG= -0.006697 logG= -0.016654 Density= 0.145789 ETOT(band)= 0.008885 trlgG= -0.010890 logG= -0.016654 TDE= -0.134212 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009604 tlogG= -0.007306 logG= -0.016910 Density= 0.141034 ETOT(band)= 0.005278 trlgG= -0.014313 logG= -0.016910 TDE= -0.132813 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019368 tlogG= -0.011656 logG= -0.031024 Density= 0.277042 ETOT(band)= 0.005978 trlgG= -0.030731 logG= -0.031024 TDE= -0.265702 logGD-logG0= -0.009818 tlogG= -0.005673 logG= -0.015492 Density= 0.141526 ETOT(band)= 0.005466 trlgG= -0.013054 logG= -0.015492 TDE= -0.133446 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002374 tlogG= -0.002339 logG= -0.004713 Density= 0.034887 ETOT(band)= 0.000944 trlgG= -0.004408 logG= -0.004713 TDE= -0.033191 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009629 tlogG= -0.006647 logG= -0.016276 Density= 0.140855 ETOT(band)= 0.005349 trlgG= -0.013718 logG= -0.016276 TDE= -0.132680 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009643 tlogG= -0.006329 logG= -0.015973 Density= 0.137431 ETOT(band)= 0.001681 trlgG= -0.017110 logG= -0.015973 TDE= -0.133089 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009649 tlogG= -0.007509 logG= -0.017158 Density= 0.142523 ETOT(band)= 0.006579 trlgG= -0.013259 logG= -0.017158 TDE= -0.132941 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009487 tlogG= -0.009024 logG= -0.018510 Density= 0.139654 ETOT(band)= 0.003903 trlgG= -0.017110 logG= -0.018510 TDE= -0.132685 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019196 tlogG= -0.013933 logG= -0.033129 Density= 0.277609 ETOT(band)= 0.006277 trlgG= -0.031957 logG= -0.033129 TDE= -0.265369 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003182 tlogG= 0.069882 logG= 0.066700 Density= 0.046288 ETOT(band)= 0.001063 trlgG= 0.066959 logG= 0.066700 TDE= -0.044183 logGD-logG0= -0.003163 tlogG= 0.069485 logG= 0.066322 Density= 0.046215 ETOT(band)= 0.000961 trlgG= 0.066464 logG= 0.066322 TDE= -0.044231 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002365 tlogG= 0.051920 logG= 0.049555 Density= 0.034458 ETOT(band)= 0.000526 trlgG= 0.049454 logG= 0.049555 TDE= -0.033184 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009520 tlogG= 0.209172 logG= 0.199652 Density= 0.139126 ETOT(band)= 0.003447 trlgG= 0.200596 logG= 0.199652 TDE= -0.132635 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009484 tlogG= 0.208471 logG= 0.198988 Density= 0.138616 ETOT(band)= 0.002913 trlgG= 0.199362 logG= 0.198988 TDE= -0.132715 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004734 tlogG= 0.104053 logG= 0.099319 Density= 0.069162 ETOT(band)= 0.001288 trlgG= 0.099364 logG= 0.099319 TDE= -0.066360 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003152 tlogG= 0.069201 logG= 0.066048 Density= 0.045859 ETOT(band)= 0.000634 trlgG= 0.065837 logG= 0.066048 TDE= -0.044241 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002422 tlogG= -0.001965 logG= -0.004387 Density= 0.035815 ETOT(band)= 0.001778 trlgG= -0.003273 logG= -0.004387 TDE= -0.033274 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Sum of eigenvalues= 4.53210213031020 eV TrLogG= -14.0877097455238 eV Ratio to renormalize= 0.999999999713 rho-rho_expected= 0.000000004591 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 47) Finished k-point number 48 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 56) Finished k-point number 57 1 with #bands= 18 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 61) Finished k-point number 62 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 70) Finished k-point number 71 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 73) Finished k-point number 74 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 88) Finished k-point number 89 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 76) Finished k-point number 77 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931387686306694 0.928019281056358 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 100) Finished k-point number 101 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 103) Finished k-point number 104 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0631740187835 Density= 16.0010714237100 16.0000000000000 EF 12.7910601866700 Density= 15.3675374120059 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96012567 0.94012567 0.107142E-02 -0.632463 1 0.96009184 0.94012567 0.149246E-03 -0.632463 2 0.96008637 0.96009184 -0.372297E-08 0.149246E-03 3 0.96008637 0.96008637 0.142109E-12 -0.372297E-08 Absolute convergence of |F(X)|. Difference in EF= -0.0005346540 EF set to : 13.0626393648 new EF (no-mixing): 13.0626393648 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001229 tlogG= -0.001243 logG= -0.002472 Density= 0.018970 ETOT(band)= 0.001226 trlgG= -0.001650 logG= -0.002472 TDE= -0.017390 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002450 tlogG= -0.002392 logG= -0.004842 logGD-logG0= -0.009807 tlogG= -0.009485 logG= -0.019291 Density= 0.151652 ETOT(band)= 0.010065 trlgG= -0.012463 logG= -0.019291 TDE= -0.138770 Density= 0.037888 ETOT(band)= 0.002546 trlgG= -0.003108 logG= -0.004842 TDE= -0.034642 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004899 tlogG= -0.004595 logG= -0.009494 Density= 0.075800 ETOT(band)= 0.005112 trlgG= -0.006001 logG= -0.009494 TDE= -0.069282 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002455 tlogG= -0.002069 logG= -0.004523 Density= 0.037432 ETOT(band)= 0.002575 trlgG= -0.002807 logG= -0.004523 TDE= -0.034221 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001603 tlogG= -0.001312 logG= -0.002915 Density= 0.022775 ETOT(band)= -0.000169 trlgG= -0.003531 logG= -0.002915 TDE= -0.022482 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009833 tlogG= -0.008021 logG= -0.017854 logGD-logG0= -0.009837 tlogG= -0.008626 logG= -0.018464 Density= 0.150718 ETOT(band)= 0.010529 trlgG= -0.011307 logG= -0.018464 TDE= -0.137546 logGD-logG0= -0.004919 tlogG= -0.004173 logG= -0.009092 Density= 0.075457 ETOT(band)= 0.005145 trlgG= -0.005632 logG= -0.009092 TDE= -0.068986 Density= 0.150516 ETOT(band)= 0.010447 trlgG= -0.010762 logG= -0.017854 TDE= -0.137417 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009854 tlogG= -0.006650 logG= -0.016504 Density= 0.143887 ETOT(band)= 0.005008 trlgG= -0.014684 logG= -0.016504 TDE= -0.136324 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009848 tlogG= -0.008759 logG= -0.018607 Density= 0.151171 ETOT(band)= 0.010525 trlgG= -0.011411 logG= -0.018607 TDE= -0.137942 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009807 tlogG= -0.007762 logG= -0.017569 Density= 0.149890 ETOT(band)= 0.010871 trlgG= -0.010020 logG= -0.017569 TDE= -0.136358 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019665 tlogG= -0.015817 logG= -0.035482 Density= 0.301185 ETOT(band)= 0.020816 trlgG= -0.021380 logG= -0.035482 TDE= -0.275062 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019642 tlogG= -0.014701 logG= -0.034343 Density= 0.299188 ETOT(band)= 0.020895 trlgG= -0.019968 logG= -0.034343 TDE= -0.272871 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009846 tlogG= -0.006602 logG= -0.016448 Density= 0.147278 ETOT(band)= 0.008450 trlgG= -0.011251 logG= -0.016448 TDE= -0.136203 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003200 tlogG= -0.002519 logG= -0.005718 Density= 0.045374 ETOT(band)= -0.000339 trlgG= -0.006991 logG= -0.005718 TDE= -0.044836 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009612 tlogG= -0.007430 logG= -0.017041 Density= 0.136741 ETOT(band)= -0.000688 trlgG= -0.020562 logG= -0.017041 TDE= -0.134804 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003153 tlogG= -0.002595 logG= -0.005748 Density= 0.045884 ETOT(band)= 0.000581 trlgG= -0.005948 logG= -0.005748 TDE= -0.044253 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009603 tlogG= -0.007343 logG= -0.016946 logGD-logG0= -0.003182 tlogG= -0.002544 logG= -0.005726 Density= 0.045609 ETOT(band)= 0.000071 trlgG= -0.006515 logG= -0.005726 TDE= -0.044577 Density= 0.136611 ETOT(band)= -0.000633 trlgG= -0.020428 logG= -0.016946 TDE= -0.134640 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009588 tlogG= -0.007267 logG= -0.016856 Density= 0.136659 ETOT(band)= -0.000239 trlgG= -0.019912 logG= -0.016856 TDE= -0.134261 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009621 tlogG= -0.006634 logG= -0.016255 Density= 0.137887 ETOT(band)= 0.000720 trlgG= -0.018481 logG= -0.016255 TDE= -0.134609 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009912 tlogG= -0.007111 logG= -0.017024 Density= 0.147583 ETOT(band)= 0.009116 trlgG= -0.011188 logG= -0.017024 TDE= -0.135856 logGD-logG0= -0.009850 tlogG= -0.007525 logG= -0.017376 Density= 0.148927 ETOT(band)= 0.010733 trlgG= -0.009944 logG= -0.017376 TDE= -0.135552 logGD-logG0= -0.009532 tlogG= -0.007337 logG= -0.016869 Density= 0.137334 ETOT(band)= 0.001069 trlgG= -0.018371 logG= -0.016869 TDE= -0.133354 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009562 tlogG= -0.006795 logG= -0.016357 Density= 0.139038 ETOT(band)= 0.002964 trlgG= -0.016012 logG= -0.016357 TDE= -0.133143 logGD-logG0= -0.009567 tlogG= -0.007301 logG= -0.016868 Density= 0.136890 ETOT(band)= 0.000167 trlgG= -0.019433 logG= -0.016868 TDE= -0.133990 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009716 tlogG= -0.006335 logG= -0.016051 Density= 0.140294 ETOT(band)= 0.003380 trlgG= -0.015488 logG= -0.016051 TDE= -0.134132 logGD-logG0= -0.009629 tlogG= -0.006602 logG= -0.016231 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137832 ETOT(band)= 0.000745 trlgG= -0.018465 logG= -0.016231 TDE= -0.134565 logGD-logG0= -0.009885 tlogG= -0.006489 logG= -0.016374 Density= 0.142534 ETOT(band)= 0.004351 trlgG= -0.015091 logG= -0.016374 TDE= -0.135561 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009616 tlogG= -0.006817 logG= -0.016432 Density= 0.138466 ETOT(band)= 0.001671 trlgG= -0.017488 logG= -0.016432 TDE= -0.133994 logGD-logG0= -0.004856 tlogG= -0.003085 logG= -0.007941 Density= 0.067577 ETOT(band)= -0.001247 trlgG= -0.010610 logG= -0.007941 TDE= -0.067548 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009593 tlogG= -0.006498 logG= -0.016091 Density= 0.137656 ETOT(band)= 0.000985 trlgG= -0.017997 logG= -0.016091 TDE= -0.134068 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009676 tlogG= -0.005917 logG= -0.015593 Density= 0.138068 ETOT(band)= 0.001015 trlgG= -0.017517 logG= -0.015593 TDE= -0.134481 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009785 tlogG= -0.006552 logG= -0.016337 Density= 0.143536 ETOT(band)= 0.006809 trlgG= -0.012432 logG= -0.016337 TDE= -0.133903 logGD-logG0= -0.009721 tlogG= -0.005995 logG= -0.015716 Density= 0.135827 ETOT(band)= -0.001486 trlgG= -0.020059 logG= -0.015716 TDE= -0.134749 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004869 tlogG= -0.002562 logG= -0.007431 logGD-logG0= -0.009701 tlogG= -0.005604 logG= -0.015305 Density= 0.133749 ETOT(band)= -0.003103 trlgG= -0.021203 logG= -0.015305 TDE= -0.134308 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.065385 ETOT(band)= -0.002674 trlgG= -0.011384 logG= -0.007431 TDE= -0.066729 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009655 tlogG= -0.005593 logG= -0.015248 Density= 0.136870 ETOT(band)= 0.000352 trlgG= -0.017833 logG= -0.015248 TDE= -0.133992 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009613 tlogG= -0.006830 logG= -0.016443 Density= 0.137495 ETOT(band)= 0.000262 trlgG= -0.019142 logG= -0.016443 TDE= -0.134706 logGD-logG0= -0.019824 tlogG= -0.012723 logG= -0.032547 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.285242 ETOT(band)= 0.008367 trlgG= -0.030426 logG= -0.032547 TDE= -0.271735 logGD-logG0= -0.009693 tlogG= -0.006116 logG= -0.015809 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138648 ETOT(band)= 0.001563 trlgG= -0.017108 logG= -0.015809 TDE= -0.134413 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009931 tlogG= -0.006496 logG= -0.016427 logGD-logG0= -0.019343 tlogG= -0.012065 logG= -0.031408 Density= 0.143151 ETOT(band)= 0.004427 trlgG= -0.015171 logG= -0.016427 TDE= -0.136181 Density= 0.278250 ETOT(band)= 0.004060 trlgG= -0.033363 logG= -0.031408 TDE= -0.269099 logGD-logG0= -0.019216 tlogG= -0.013660 logG= -0.032876 Density= 0.275161 ETOT(band)= 0.001152 trlgG= -0.037514 logG= -0.032876 TDE= -0.268816 logGD-logG0= -0.019427 tlogG= -0.010800 logG= -0.030227 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.271434 ETOT(band)= -0.002061 trlgG= -0.038096 logG= -0.030227 TDE= -0.268468 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019580 tlogG= -0.012019 logG= -0.031599 Density= 0.281494 ETOT(band)= 0.006930 trlgG= -0.030657 logG= -0.031599 TDE= -0.269317 logGD-logG0= -0.019147 tlogG= -0.013709 logG= -0.032856 logGD-logG0= -0.019447 tlogG= -0.011409 logG= -0.030856 Density= 0.275822 ETOT(band)= 0.002975 trlgG= -0.035279 logG= -0.032856 TDE= -0.267236 Density= 0.275394 ETOT(band)= 0.001221 trlgG= -0.035409 logG= -0.030856 TDE= -0.268956 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019323 tlogG= -0.012214 logG= -0.031537 Density= 0.278061 ETOT(band)= 0.004459 trlgG= -0.032889 logG= -0.031537 TDE= -0.268315 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004950 tlogG= -0.003558 logG= -0.008507 Density= 0.074772 ETOT(band)= 0.005030 trlgG= -0.005118 logG= -0.008507 TDE= -0.068399 logGD-logG0= -0.000393 tlogG= 0.008634 logG= 0.008240 Density= 0.005717 ETOT(band)= 0.000063 trlgG= 0.008199 logG= 0.008240 TDE= -0.005530 logGD-logG0= -0.019322 tlogG= -0.011915 logG= -0.031237 Density= 0.277912 ETOT(band)= 0.004019 trlgG= -0.033189 logG= -0.031237 TDE= -0.268771 logGD-logG0= -0.019255 tlogG= -0.012306 logG= -0.031561 Density= 0.278927 ETOT(band)= 0.006473 trlgG= -0.030714 logG= -0.031561 TDE= -0.266947 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019519 tlogG= -0.010126 logG= -0.029646 logGD-logG0= -0.019540 tlogG= -0.010423 logG= -0.029962 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278246 ETOT(band)= 0.004785 trlgG= -0.031035 logG= -0.029962 TDE= -0.268213 Density= 0.264124 ETOT(band)= -0.008271 trlgG= -0.043417 logG= -0.029646 TDE= -0.267353 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009804 tlogG= -0.004849 logG= -0.014653 Density= 0.131014 ETOT(band)= -0.005170 trlgG= -0.022556 logG= -0.014653 TDE= -0.133687 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009728 tlogG= -0.005433 logG= -0.015161 Density= 0.133047 ETOT(band)= -0.003757 trlgG= -0.021653 logG= -0.015161 TDE= -0.134229 logGD-logG0= -0.019246 tlogG= -0.011595 logG= -0.030841 Density= 0.276525 ETOT(band)= 0.003952 trlgG= -0.032670 logG= -0.030841 TDE= -0.267317 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019864 tlogG= -0.012712 logG= -0.032576 Density= 0.289651 ETOT(band)= 0.014929 trlgG= -0.023761 logG= -0.032576 TDE= -0.269275 logGD-logG0= -0.019473 tlogG= -0.010492 logG= -0.029966 Density= 0.274815 ETOT(band)= 0.002344 trlgG= -0.033401 logG= -0.029966 TDE= -0.267282 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019466 tlogG= -0.011632 logG= -0.031099 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.270082 ETOT(band)= -0.004581 trlgG= -0.041406 logG= -0.031099 TDE= -0.269610 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019619 tlogG= -0.011094 logG= -0.030714 Density= 0.278236 ETOT(band)= 0.003797 trlgG= -0.032822 logG= -0.030714 TDE= -0.269239 logGD-logG0= -0.009795 tlogG= -0.005179 logG= -0.014974 Density= 0.140007 ETOT(band)= 0.002979 trlgG= -0.014980 logG= -0.014974 TDE= -0.134425 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019685 tlogG= -0.011864 logG= -0.031549 Density= 0.280307 ETOT(band)= 0.004480 trlgG= -0.033152 logG= -0.031549 TDE= -0.270722 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019515 tlogG= -0.010558 logG= -0.030073 Density= 0.272345 ETOT(band)= -0.001759 trlgG= -0.037481 logG= -0.030073 TDE= -0.268883 logGD-logG0= -0.009949 tlogG= -0.005952 logG= -0.015901 Density= 0.144022 ETOT(band)= 0.006442 trlgG= -0.012509 logG= -0.015901 TDE= -0.134881 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019560 tlogG= -0.010040 logG= -0.029601 Density= 0.267183 ETOT(band)= -0.006093 trlgG= -0.041245 logG= -0.029601 TDE= -0.268163 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009744 tlogG= -0.005469 logG= -0.015213 Density= 0.135858 ETOT(band)= -0.001298 trlgG= -0.019219 logG= -0.015213 TDE= -0.134441 logGD-logG0= -0.009734 tlogG= -0.005113 logG= -0.014847 Density= 0.136431 ETOT(band)= -0.000439 trlgG= -0.017973 logG= -0.014847 TDE= -0.134112 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009754 tlogG= -0.005249 logG= -0.015003 Density= 0.136914 ETOT(band)= -0.000082 trlgG= -0.017864 logG= -0.015003 TDE= -0.134310 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004876 tlogG= -0.002643 logG= -0.007519 Density= 0.068628 ETOT(band)= 0.000069 trlgG= -0.008886 logG= -0.007519 TDE= -0.067256 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002476 tlogG= -0.001862 logG= -0.004338 Density= 0.036963 ETOT(band)= 0.002610 trlgG= -0.002515 logG= -0.004338 TDE= -0.033664 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009488 tlogG= -0.008794 logG= -0.018282 Density= 0.139461 ETOT(band)= 0.003708 trlgG= -0.017009 logG= -0.018282 TDE= -0.132621 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002374 tlogG= -0.002339 logG= -0.004713 Density= 0.034887 ETOT(band)= 0.000943 trlgG= -0.004409 logG= -0.004713 TDE= -0.033191 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009585 tlogG= -0.007382 logG= -0.016967 Density= 0.137579 ETOT(band)= 0.001627 trlgG= -0.017870 logG= -0.016967 TDE= -0.132991 logGD-logG0= -0.009538 tlogG= -0.007727 logG= -0.017266 Density= 0.138601 ETOT(band)= 0.002897 trlgG= -0.016748 logG= -0.017266 TDE= -0.132551 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009604 tlogG= -0.007306 logG= -0.016910 Density= 0.141033 ETOT(band)= 0.005272 trlgG= -0.014318 logG= -0.016910 TDE= -0.132812 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009552 tlogG= -0.008411 logG= -0.017964 Density= 0.140905 ETOT(band)= 0.005078 trlgG= -0.015458 logG= -0.017964 TDE= -0.132776 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009838 tlogG= -0.007162 logG= -0.017000 Density= 0.144915 ETOT(band)= 0.008425 trlgG= -0.011385 logG= -0.017000 TDE= -0.133516 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004761 tlogG= -0.004011 logG= -0.008772 Density= 0.069957 ETOT(band)= 0.002157 trlgG= -0.007858 logG= -0.008772 TDE= -0.066251 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002422 tlogG= -0.001965 logG= -0.004387 Density= 0.035815 ETOT(band)= 0.001776 trlgG= -0.003274 logG= -0.004387 TDE= -0.033273 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009593 tlogG= -0.006865 logG= -0.016458 Density= 0.139382 ETOT(band)= 0.003942 trlgG= -0.015114 logG= -0.016458 TDE= -0.132475 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009520 tlogG= -0.007957 logG= -0.017476 Density= 0.138868 ETOT(band)= 0.003276 trlgG= -0.016628 logG= -0.017476 TDE= -0.132477 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009644 tlogG= -0.006331 logG= -0.015975 Density= 0.137432 ETOT(band)= 0.001678 trlgG= -0.017116 logG= -0.015975 TDE= -0.133088 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019426 tlogG= -0.013196 logG= -0.032622 Density= 0.284783 ETOT(band)= 0.012777 trlgG= -0.025567 logG= -0.032622 TDE= -0.266360 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004854 tlogG= -0.002814 logG= -0.007667 Density= 0.068459 ETOT(band)= 0.000837 trlgG= -0.008223 logG= -0.007667 TDE= -0.066283 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009756 tlogG= -0.005300 logG= -0.015056 Density= 0.133895 ETOT(band)= -0.001782 trlgG= -0.019626 logG= -0.015056 TDE= -0.133120 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019086 tlogG= -0.015720 logG= -0.034806 Density= 0.280480 ETOT(band)= 0.009143 trlgG= -0.030685 logG= -0.034806 TDE= -0.265164 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009487 tlogG= -0.009024 logG= -0.018511 Density= 0.139655 ETOT(band)= 0.003898 trlgG= -0.017115 logG= -0.018511 TDE= -0.132685 logGD-logG0= -0.009957 tlogG= -0.006697 logG= -0.016653 Density= 0.145789 ETOT(band)= 0.008881 trlgG= -0.010894 logG= -0.016653 TDE= -0.134211 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009649 tlogG= -0.007509 logG= -0.017158 logGD-logG0= -0.009792 tlogG= -0.004988 logG= -0.014780 Density= 0.142522 ETOT(band)= 0.006573 trlgG= -0.013264 logG= -0.017158 TDE= -0.132940 Density= 0.130813 ETOT(band)= -0.004656 trlgG= -0.022157 logG= -0.014780 TDE= -0.132968 logGD-logG0= -0.019196 tlogG= -0.013933 logG= -0.033129 Density= 0.277610 ETOT(band)= 0.006268 trlgG= -0.031965 logG= -0.033129 TDE= -0.265367 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009818 tlogG= -0.005674 logG= -0.015492 Density= 0.141523 ETOT(band)= 0.005458 trlgG= -0.013061 logG= -0.015492 TDE= -0.133444 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019365 tlogG= -0.011652 logG= -0.031016 Density= 0.277038 ETOT(band)= 0.005961 trlgG= -0.030736 logG= -0.031016 TDE= -0.265700 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009629 tlogG= -0.006647 logG= -0.016276 Density= 0.140854 ETOT(band)= 0.005343 trlgG= -0.013723 logG= -0.016276 TDE= -0.132679 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003152 tlogG= 0.069197 logG= 0.066045 Density= 0.045859 ETOT(band)= 0.000632 trlgG= 0.065833 logG= 0.066045 TDE= -0.044241 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003163 tlogG= 0.069482 logG= 0.066319 Density= 0.046216 ETOT(band)= 0.000959 trlgG= 0.066459 logG= 0.066319 TDE= -0.044230 logGD-logG0= -0.003182 tlogG= 0.069880 logG= 0.066697 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Density= 0.046288 ETOT(band)= 0.001062 trlgG= 0.066955 logG= 0.066697 TDE= -0.044183 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002365 tlogG= 0.051917 logG= 0.049553 Density= 0.034458 ETOT(band)= 0.000525 trlgG= 0.049451 logG= 0.049553 TDE= -0.033184 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004734 tlogG= 0.104049 logG= 0.099315 Density= 0.069162 ETOT(band)= 0.001286 trlgG= 0.099358 logG= 0.099315 TDE= -0.066359 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009521 tlogG= 0.209162 logG= 0.199642 Density= 0.139127 ETOT(band)= 0.003443 trlgG= 0.200582 logG= 0.199642 TDE= -0.132634 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009483 tlogG= 0.208462 logG= 0.198979 Density= 0.138617 ETOT(band)= 0.002909 trlgG= 0.199349 logG= 0.198979 TDE= -0.132714 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.52441313619319 eV TrLogG= -14.0950129737244 eV Ratio to renormalize= 0.999999999719 rho-rho_expected= 0.000000004502 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 25) Finished k-point number 26 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 39) Finished k-point number 40 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 44) Finished k-point number 45 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 40) Finished k-point number 41 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 61) Finished k-point number 62 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 92) Finished k-point number 93 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 69) Finished k-point number 70 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 94) Finished k-point number 95 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 102) Finished k-point number 103 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931315307230246 0.928015837912103 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 20) Finished k-point number 21 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 15) Finished k-point number 16 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 37) Finished k-point number 38 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 102) Finished k-point number 103 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 90) Finished k-point number 91 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 103) Finished k-point number 104 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 59) Finished k-point number 60 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0626393647899 Density= 16.0039359586675 16.0000000000000 EF 12.7905255326763 Density= 15.3605403643966 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96008637 0.94008637 0.393596E-02 -0.639460 1 0.95996402 0.94008637 0.603379E-03 -0.639460 2 0.95994189 0.95996402 -0.107666E-06 0.603379E-03 3 0.95994189 0.95994189 0.185558E-10 -0.107666E-06 Absolute convergence of |F(X)|. Difference in EF= -0.0019657056 EF set to : 13.0606736592 new EF (no-mixing): 13.0606736592 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001204 tlogG= -0.001236 logG= -0.002441 Density= 0.018986 ETOT(band)= 0.001242 trlgG= -0.001603 logG= -0.002441 TDE= -0.017388 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009611 tlogG= -0.009429 logG= -0.019040 logGD-logG0= -0.002401 tlogG= -0.002378 logG= -0.004779 Density= 0.037924 ETOT(band)= 0.002579 trlgG= -0.003012 logG= -0.004779 TDE= -0.034638 Density= 0.151792 ETOT(band)= 0.010193 trlgG= -0.012083 logG= -0.019040 TDE= -0.138754 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004801 tlogG= -0.004568 logG= -0.009369 Density= 0.075872 ETOT(band)= 0.005178 trlgG= -0.005810 logG= -0.009369 TDE= -0.069274 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002406 tlogG= -0.002055 logG= -0.004461 Density= 0.037461 ETOT(band)= 0.002600 trlgG= -0.002718 logG= -0.004461 TDE= -0.034217 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001571 tlogG= -0.001304 logG= -0.002875 Density= 0.022786 ETOT(band)= -0.000162 trlgG= -0.003481 logG= -0.002875 TDE= -0.022479 logGD-logG0= -0.009641 tlogG= -0.008571 logG= -0.018212 Density= 0.150869 ETOT(band)= 0.010668 trlgG= -0.010916 logG= -0.018212 TDE= -0.137530 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009661 tlogG= -0.006596 logG= -0.016257 logGD-logG0= -0.009637 tlogG= -0.007966 logG= -0.017603 Density= 0.150652 ETOT(band)= 0.010571 trlgG= -0.010386 logG= -0.017603 TDE= -0.137400 Density= 0.143652 ETOT(band)= 0.004760 trlgG= -0.014667 logG= -0.016257 TDE= -0.136307 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004821 tlogG= -0.004146 logG= -0.008967 Density= 0.075536 ETOT(band)= 0.005217 trlgG= -0.005435 logG= -0.008967 TDE= -0.068978 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009652 tlogG= -0.008703 logG= -0.018355 Density= 0.151323 ETOT(band)= 0.010665 trlgG= -0.011020 logG= -0.018355 TDE= -0.137926 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009612 tlogG= -0.007707 logG= -0.017319 Density= 0.149985 ETOT(band)= 0.010952 trlgG= -0.009684 logG= -0.017319 TDE= -0.136342 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019251 tlogG= -0.014590 logG= -0.033840 Density= 0.299295 ETOT(band)= 0.020972 trlgG= -0.019373 logG= -0.033840 TDE= -0.272839 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019272 tlogG= -0.015707 logG= -0.034979 Density= 0.301476 ETOT(band)= 0.021083 trlgG= -0.020609 logG= -0.034979 TDE= -0.275029 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009651 tlogG= -0.006546 logG= -0.016198 Density= 0.147153 ETOT(band)= 0.008308 trlgG= -0.011127 logG= -0.016198 TDE= -0.136187 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003136 tlogG= -0.002502 logG= -0.005638 Density= 0.045402 ETOT(band)= -0.000317 trlgG= -0.006885 logG= -0.005638 TDE= -0.044830 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003090 tlogG= -0.002578 logG= -0.005668 Density= 0.045897 ETOT(band)= 0.000588 trlgG= -0.005857 logG= -0.005668 TDE= -0.044247 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003118 tlogG= -0.002527 logG= -0.005645 Density= 0.045629 ETOT(band)= 0.000085 trlgG= -0.006415 logG= -0.005645 TDE= -0.044572 logGD-logG0= -0.009419 tlogG= -0.007378 logG= -0.016797 Density= 0.136813 ETOT(band)= -0.000636 trlgG= -0.020252 logG= -0.016797 TDE= -0.134788 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009410 tlogG= -0.007293 logG= -0.016703 Density= 0.136688 ETOT(band)= -0.000576 trlgG= -0.020114 logG= -0.016703 TDE= -0.134623 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009397 tlogG= -0.007217 logG= -0.016613 Density= 0.136734 ETOT(band)= -0.000183 trlgG= -0.019602 logG= -0.016613 TDE= -0.134245 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009427 tlogG= -0.006583 logG= -0.016011 Density= 0.137951 ETOT(band)= 0.000763 trlgG= -0.018179 logG= -0.016011 TDE= -0.134593 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009400 tlogG= -0.006451 logG= -0.015851 Density= 0.137720 ETOT(band)= 0.001029 trlgG= -0.017699 logG= -0.015851 TDE= -0.134051 logGD-logG0= -0.009717 tlogG= -0.007057 logG= -0.016774 Density= 0.147447 ETOT(band)= 0.008961 trlgG= -0.011074 logG= -0.016774 TDE= -0.135840 logGD-logG0= -0.009340 tlogG= -0.007287 logG= -0.016628 Density= 0.137387 ETOT(band)= 0.001103 trlgG= -0.018082 logG= -0.016628 TDE= -0.133337 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009655 tlogG= -0.007470 logG= -0.017124 Density= 0.148887 ETOT(band)= 0.010676 trlgG= -0.009738 logG= -0.017124 TDE= -0.135536 logGD-logG0= -0.009521 tlogG= -0.006287 logG= -0.015808 Density= 0.140318 ETOT(band)= 0.003384 trlgG= -0.015226 logG= -0.015808 TDE= -0.134116 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004759 tlogG= -0.003059 logG= -0.007819 logGD-logG0= -0.009687 tlogG= -0.006440 logG= -0.016127 Density= 0.067624 ETOT(band)= -0.001208 trlgG= -0.010445 logG= -0.007819 TDE= -0.067541 Density= 0.142454 ETOT(band)= 0.004254 trlgG= -0.014924 logG= -0.016127 TDE= -0.135545 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009436 tlogG= -0.006549 logG= -0.015984 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009423 tlogG= -0.006766 logG= -0.016189 Density= 0.137900 ETOT(band)= 0.000793 trlgG= -0.018157 logG= -0.015984 TDE= -0.134549 Density= 0.138508 ETOT(band)= 0.001693 trlgG= -0.017207 logG= -0.016189 TDE= -0.133978 logGD-logG0= -0.009482 tlogG= -0.005867 logG= -0.015349 Density= 0.138142 ETOT(band)= 0.001069 trlgG= -0.017205 logG= -0.015349 TDE= -0.134465 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009375 tlogG= -0.007251 logG= -0.016627 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136956 ETOT(band)= 0.000215 trlgG= -0.019131 logG= -0.016627 TDE= -0.133974 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009462 tlogG= -0.005544 logG= -0.015007 Density= 0.136917 ETOT(band)= 0.000380 trlgG= -0.017549 logG= -0.015007 TDE= -0.133975 logGD-logG0= -0.009370 tlogG= -0.006744 logG= -0.016114 logGD-logG0= -0.009498 tlogG= -0.006064 logG= -0.015562 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.139071 ETOT(band)= 0.002976 trlgG= -0.015738 logG= -0.016114 TDE= -0.133124 Density= 0.138706 ETOT(band)= 0.001600 trlgG= -0.016808 logG= -0.015562 TDE= -0.134397 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009508 tlogG= -0.005551 logG= -0.015059 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.133735 ETOT(band)= -0.003135 trlgG= -0.020976 logG= -0.015059 TDE= -0.134295 logGD-logG0= -0.004774 tlogG= -0.002535 logG= -0.007309 Density= 0.065257 ETOT(band)= -0.002813 trlgG= -0.011388 logG= -0.007309 TDE= -0.066722 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009526 tlogG= -0.005943 logG= -0.015469 Density= 0.135936 ETOT(band)= -0.001396 trlgG= -0.019713 logG= -0.015469 TDE= -0.134735 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009421 tlogG= -0.006778 logG= -0.016199 Density= 0.137565 ETOT(band)= 0.000312 trlgG= -0.018834 logG= -0.016199 TDE= -0.134690 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009588 tlogG= -0.006506 logG= -0.016094 Density= 0.143461 ETOT(band)= 0.006714 trlgG= -0.012266 logG= -0.016094 TDE= -0.133886 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019427 tlogG= -0.012623 logG= -0.032050 Density= 0.284976 ETOT(band)= 0.008071 trlgG= -0.030192 logG= -0.032050 TDE= -0.271703 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018936 tlogG= -0.011816 logG= -0.030753 Density= 0.278028 ETOT(band)= 0.004095 trlgG= -0.032601 logG= -0.030753 TDE= -0.268739 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018831 tlogG= -0.013563 logG= -0.032394 logGD-logG0= -0.009735 tlogG= -0.006444 logG= -0.016180 Density= 0.275290 ETOT(band)= 0.001241 trlgG= -0.036915 logG= -0.032394 TDE= -0.268784 Density= 0.142961 ETOT(band)= 0.004224 trlgG= -0.015110 logG= -0.016180 TDE= -0.136165 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018934 tlogG= -0.012115 logG= -0.031049 Density= 0.278161 ETOT(band)= 0.004516 trlgG= -0.032313 logG= -0.031049 TDE= -0.268282 logGD-logG0= -0.018955 tlogG= -0.011967 logG= -0.030921 Density= 0.278356 ETOT(band)= 0.004123 trlgG= -0.032782 logG= -0.030921 TDE= -0.269066 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019187 tlogG= -0.011922 logG= -0.031108 Density= 0.281524 ETOT(band)= 0.006919 trlgG= -0.030146 logG= -0.031108 TDE= -0.269284 logGD-logG0= -0.019058 tlogG= -0.011313 logG= -0.030371 logGD-logG0= -0.019040 tlogG= -0.010700 logG= -0.029740 Density= 0.275579 ETOT(band)= 0.001367 trlgG= -0.034754 logG= -0.030371 TDE= -0.268923 Density= 0.271529 ETOT(band)= -0.002004 trlgG= -0.037523 logG= -0.029740 TDE= -0.268436 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018762 tlogG= -0.013605 logG= -0.032367 Density= 0.275926 ETOT(band)= 0.003039 trlgG= -0.034697 logG= -0.032367 TDE= -0.267203 logGD-logG0= -0.000386 tlogG= 0.008635 logG= 0.008249 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.005719 ETOT(band)= 0.000064 trlgG= 0.008210 logG= 0.008249 TDE= -0.005530 logGD-logG0= -0.019136 tlogG= -0.010026 logG= -0.029163 Density= 0.263566 ETOT(band)= -0.008870 trlgG= -0.043475 logG= -0.029163 TDE= -0.267320 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018862 tlogG= -0.011496 logG= -0.030357 Density= 0.276638 ETOT(band)= 0.004025 trlgG= -0.032085 logG= -0.030357 TDE= -0.267284 logGD-logG0= -0.019472 tlogG= -0.012609 logG= -0.032081 Density= 0.289327 ETOT(band)= 0.014566 trlgG= -0.023586 logG= -0.032081 TDE= -0.269242 logGD-logG0= -0.018866 tlogG= -0.012209 logG= -0.031075 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.279015 ETOT(band)= 0.006516 trlgG= -0.030146 logG= -0.031075 TDE= -0.266909 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004851 tlogG= -0.003530 logG= -0.008381 Density= 0.074793 ETOT(band)= 0.005042 trlgG= -0.004975 logG= -0.008381 TDE= -0.068391 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019145 tlogG= -0.010317 logG= -0.029462 Density= 0.278225 ETOT(band)= 0.004719 trlgG= -0.030562 logG= -0.029462 TDE= -0.268180 logGD-logG0= -0.009534 tlogG= -0.005381 logG= -0.014915 Density= 0.132965 ETOT(band)= -0.003860 trlgG= -0.021492 logG= -0.014915 TDE= -0.134215 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009604 tlogG= -0.004804 logG= -0.014409 logGD-logG0= -0.019080 tlogG= -0.010396 logG= -0.029476 Density= 0.130747 ETOT(band)= -0.005456 trlgG= -0.022567 logG= -0.014409 TDE= -0.133668 Density= 0.274521 ETOT(band)= 0.002003 trlgG= -0.033196 logG= -0.029476 TDE= -0.267244 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009598 tlogG= -0.005130 logG= -0.014728 Density= 0.140027 ETOT(band)= 0.002976 trlgG= -0.014718 logG= -0.014728 TDE= -0.134409 logGD-logG0= -0.019076 tlogG= -0.011530 logG= -0.030606 Density= 0.270261 ETOT(band)= -0.004438 trlgG= -0.040753 logG= -0.030606 TDE= -0.269582 logGD-logG0= -0.009753 tlogG= -0.005900 logG= -0.015653 Density= 0.143819 ETOT(band)= 0.006221 trlgG= -0.012459 logG= -0.015653 TDE= -0.134865 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019291 tlogG= -0.011765 logG= -0.031056 Density= 0.280324 ETOT(band)= 0.004460 trlgG= -0.032651 logG= -0.031056 TDE= -0.270689 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019225 tlogG= -0.010992 logG= -0.030217 Density= 0.278205 ETOT(band)= 0.003729 trlgG= -0.032362 logG= -0.030217 TDE= -0.269206 logGD-logG0= -0.019124 tlogG= -0.010458 logG= -0.029583 Density= 0.272461 ETOT(band)= -0.001685 trlgG= -0.036886 logG= -0.029583 TDE= -0.268850 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019172 tlogG= -0.009936 logG= -0.029108 Density= 0.266846 ETOT(band)= -0.006467 trlgG= -0.041082 logG= -0.029108 TDE= -0.268130 logGD-logG0= -0.009538 tlogG= -0.005063 logG= -0.014602 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136551 ETOT(band)= -0.000341 trlgG= -0.017617 logG= -0.014602 TDE= -0.134096 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009557 tlogG= -0.005199 logG= -0.014756 Density= 0.136995 ETOT(band)= -0.000022 trlgG= -0.017543 logG= -0.014756 TDE= -0.134294 logGD-logG0= -0.009548 tlogG= -0.005417 logG= -0.014965 Density= 0.135963 ETOT(band)= -0.001212 trlgG= -0.018876 logG= -0.014965 TDE= -0.134427 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004777 tlogG= -0.002618 logG= -0.007396 Density= 0.068678 ETOT(band)= 0.000110 trlgG= -0.008717 logG= -0.007396 TDE= -0.067248 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002428 tlogG= -0.001848 logG= -0.004276 Density= 0.036910 ETOT(band)= 0.002553 trlgG= -0.002504 logG= -0.004276 TDE= -0.033660 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002326 tlogG= -0.002327 logG= -0.004653 Density= 0.034890 ETOT(band)= 0.000941 trlgG= -0.004347 logG= -0.004653 TDE= -0.033187 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009392 tlogG= -0.007331 logG= -0.016723 Density= 0.137624 ETOT(band)= 0.001653 trlgG= -0.017586 logG= -0.016723 TDE= -0.132974 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009297 tlogG= -0.008746 logG= -0.018042 Density= 0.139467 ETOT(band)= 0.003693 trlgG= -0.016767 logG= -0.018042 TDE= -0.132605 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002373 tlogG= -0.001953 logG= -0.004326 logGD-logG0= -0.009347 tlogG= -0.007679 logG= -0.017025 Density= 0.138623 ETOT(band)= 0.002898 trlgG= -0.016490 logG= -0.017025 TDE= -0.132535 Density= 0.035800 ETOT(band)= 0.001756 trlgG= -0.003229 logG= -0.004326 TDE= -0.033269 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009639 tlogG= -0.007116 logG= -0.016755 Density= 0.144792 ETOT(band)= 0.008280 trlgG= -0.011263 logG= -0.016755 TDE= -0.133500 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009410 tlogG= -0.007259 logG= -0.016669 Density= 0.141026 ETOT(band)= 0.005243 trlgG= -0.014085 logG= -0.016669 TDE= -0.132793 logGD-logG0= -0.009327 tlogG= -0.007906 logG= -0.017234 Density= 0.138885 ETOT(band)= 0.003273 trlgG= -0.016372 logG= -0.017234 TDE= -0.132460 logGD-logG0= -0.009359 tlogG= -0.008364 logG= -0.017723 Density= 0.140897 ETOT(band)= 0.005047 trlgG= -0.015230 logG= -0.017723 TDE= -0.132759 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004665 tlogG= -0.003986 logG= -0.008651 Density= 0.069960 ETOT(band)= 0.002148 trlgG= -0.007736 logG= -0.008651 TDE= -0.066243 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009400 tlogG= -0.006816 logG= -0.016216 Density= 0.139405 ETOT(band)= 0.003944 trlgG= -0.014850 logG= -0.016216 TDE= -0.132455 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009449 tlogG= -0.006281 logG= -0.015730 Density= 0.137495 ETOT(band)= 0.001720 trlgG= -0.016815 logG= -0.015730 TDE= -0.133072 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009563 tlogG= -0.005252 logG= -0.014815 Density= 0.133613 ETOT(band)= -0.002089 trlgG= -0.019658 logG= -0.014815 TDE= -0.133103 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004756 tlogG= -0.002789 logG= -0.007545 Density= 0.068372 ETOT(band)= 0.000737 trlgG= -0.008185 logG= -0.007545 TDE= -0.066273 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019035 tlogG= -0.013103 logG= -0.032138 Density= 0.284725 ETOT(band)= 0.012674 trlgG= -0.025140 logG= -0.032138 TDE= -0.266322 logGD-logG0= -0.009594 tlogG= -0.004947 logG= -0.014541 Density= 0.130587 ETOT(band)= -0.004905 trlgG= -0.022135 logG= -0.014541 TDE= -0.132949 logGD-logG0= -0.018699 tlogG= -0.015622 logG= -0.034322 Density= 0.280480 ETOT(band)= 0.009096 trlgG= -0.030205 logG= -0.034322 TDE= -0.265128 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009763 tlogG= -0.006643 logG= -0.016406 Density= 0.145612 ETOT(band)= 0.008681 trlgG= -0.010822 logG= -0.016406 TDE= -0.134195 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009295 tlogG= -0.008975 logG= -0.018270 Density= 0.139662 ETOT(band)= 0.003883 trlgG= -0.016871 logG= -0.018270 TDE= -0.132668 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009620 tlogG= -0.005626 logG= -0.015247 Density= 0.141456 ETOT(band)= 0.005368 trlgG= -0.012883 logG= -0.015247 TDE= -0.133425 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018970 tlogG= -0.011549 logG= -0.030519 Density= 0.277059 ETOT(band)= 0.005934 trlgG= -0.030221 logG= -0.030519 TDE= -0.265662 logGD-logG0= -0.009454 tlogG= -0.007462 logG= -0.016916 Density= 0.142482 ETOT(band)= 0.006511 trlgG= -0.013062 logG= -0.016916 TDE= -0.132921 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018809 tlogG= -0.013833 logG= -0.032642 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.277672 ETOT(band)= 0.006287 trlgG= -0.031421 logG= -0.032642 TDE= -0.265328 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009433 tlogG= -0.006598 logG= -0.016032 Density= 0.140857 ETOT(band)= 0.005323 trlgG= -0.013477 logG= -0.016032 TDE= -0.132660 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003099 tlogG= 0.069487 logG= 0.066388 Density= 0.046222 ETOT(band)= 0.000958 trlgG= 0.066533 logG= 0.066388 TDE= -0.044225 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002317 tlogG= 0.051922 logG= 0.049605 Density= 0.034467 ETOT(band)= 0.000529 trlgG= 0.049511 logG= 0.049605 TDE= -0.033180 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003118 tlogG= 0.069886 logG= 0.066768 Density= 0.046293 ETOT(band)= 0.001058 trlgG= 0.067029 logG= 0.066768 TDE= -0.044177 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009292 tlogG= 0.208479 logG= 0.199187 Density= 0.138640 ETOT(band)= 0.002910 trlgG= 0.199576 logG= 0.199187 TDE= -0.132697 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004638 tlogG= 0.104057 logG= 0.099419 Density= 0.069175 ETOT(band)= 0.001288 trlgG= 0.099472 logG= 0.099419 TDE= -0.066351 logGD-logG0= -0.003089 tlogG= 0.069203 logG= 0.066114 Density= 0.045873 ETOT(band)= 0.000639 trlgG= 0.065914 logG= 0.066114 TDE= -0.044236 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009328 tlogG= 0.209179 logG= 0.199850 Density= 0.139139 ETOT(band)= 0.003433 trlgG= 0.200798 logG= 0.199850 TDE= -0.132617 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.49389292116951 eV TrLogG= -13.7210698803289 eV Ratio to renormalize= 0.999999999713 rho-rho_expected= 0.000000004597 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 33) Finished k-point number 34 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 25) Finished k-point number 26 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 45) Finished k-point number 46 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 76) Finished k-point number 77 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 55) Finished k-point number 56 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 95) Finished k-point number 96 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 99) Finished k-point number 100 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 96) Finished k-point number 97 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 103) Finished k-point number 104 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 101) Finished k-point number 102 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 91) Finished k-point number 92 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931411106647102 0.928025358895869 7) Finished k-point number 8 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 10) Finished k-point number 11 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 38) Finished k-point number 39 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 35) Finished k-point number 36 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 34) Finished k-point number 35 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 41) Finished k-point number 42 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 24) Finished k-point number 25 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 17) Finished k-point number 18 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 23) Finished k-point number 24 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 31) Finished k-point number 32 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 69) Finished k-point number 70 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0606736591990 Density= 16.0000030500357 16.0000000000000 EF 12.7885598270854 Density= 15.3553034554347 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95994189 0.93994189 0.305004E-05 -0.644697 1 0.95994180 0.93994189 0.469295E-06 -0.644697 2 0.95994178 0.95994180 -0.728306E-13 0.469295E-06 Absolute convergence of |F(X)|. Difference in EF= -0.0000015215 EF set to : 13.0606721377 new EF (no-mixing): 13.0606721377 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001204 tlogG= -0.001236 logG= -0.002441 Density= 0.018987 ETOT(band)= 0.001242 trlgG= -0.001602 logG= -0.002441 TDE= -0.017388 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009611 tlogG= -0.009429 logG= -0.019040 Density= 0.151793 ETOT(band)= 0.010194 trlgG= -0.012082 logG= -0.019040 TDE= -0.138755 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002401 tlogG= -0.002378 logG= -0.004779 Density= 0.037924 ETOT(band)= 0.002580 trlgG= -0.003012 logG= -0.004779 TDE= -0.034638 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004801 tlogG= -0.004568 logG= -0.009369 Density= 0.075872 ETOT(band)= 0.005178 trlgG= -0.005810 logG= -0.009369 TDE= -0.069274 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002406 tlogG= -0.002055 logG= -0.004461 Density= 0.037461 ETOT(band)= 0.002600 trlgG= -0.002718 logG= -0.004461 TDE= -0.034217 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001571 tlogG= -0.001303 logG= -0.002874 Density= 0.022786 ETOT(band)= -0.000162 trlgG= -0.003480 logG= -0.002874 TDE= -0.022479 logGD-logG0= -0.009637 tlogG= -0.007965 logG= -0.017602 Density= 0.150651 ETOT(band)= 0.010569 trlgG= -0.010387 logG= -0.017602 TDE= -0.137401 logGD-logG0= -0.004821 tlogG= -0.004145 logG= -0.008966 Density= 0.075535 ETOT(band)= 0.005216 trlgG= -0.005435 logG= -0.008966 TDE= -0.068978 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009641 tlogG= -0.008571 logG= -0.018212 Density= 0.150870 ETOT(band)= 0.010669 trlgG= -0.010915 logG= -0.018212 TDE= -0.137530 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009661 tlogG= -0.006596 logG= -0.016257 Density= 0.143650 ETOT(band)= 0.004758 trlgG= -0.014669 logG= -0.016257 TDE= -0.136308 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009651 tlogG= -0.008703 logG= -0.018355 Density= 0.151324 ETOT(band)= 0.010666 trlgG= -0.011019 logG= -0.018355 TDE= -0.137926 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009612 tlogG= -0.007707 logG= -0.017319 Density= 0.149986 ETOT(band)= 0.010953 trlgG= -0.009683 logG= -0.017319 TDE= -0.136342 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019272 tlogG= -0.015707 logG= -0.034979 Density= 0.301478 ETOT(band)= 0.021084 trlgG= -0.020608 logG= -0.034979 TDE= -0.275030 logGD-logG0= -0.019251 tlogG= -0.014590 logG= -0.033840 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.299294 ETOT(band)= 0.020970 trlgG= -0.019375 logG= -0.033840 TDE= -0.272839 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009651 tlogG= -0.006546 logG= -0.016198 Density= 0.147154 ETOT(band)= 0.008308 trlgG= -0.011126 logG= -0.016198 TDE= -0.136187 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003135 tlogG= -0.002501 logG= -0.005636 Density= 0.045402 ETOT(band)= -0.000317 trlgG= -0.006884 logG= -0.005636 TDE= -0.044831 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003090 tlogG= -0.002578 logG= -0.005667 Density= 0.045897 ETOT(band)= 0.000588 trlgG= -0.005856 logG= -0.005667 TDE= -0.044247 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009419 tlogG= -0.007379 logG= -0.016798 Density= 0.136814 ETOT(band)= -0.000635 trlgG= -0.020252 logG= -0.016798 TDE= -0.134788 logGD-logG0= -0.003118 tlogG= -0.002528 logG= -0.005646 Density= 0.045630 ETOT(band)= 0.000086 trlgG= -0.006416 logG= -0.005646 TDE= -0.044572 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009411 tlogG= -0.007292 logG= -0.016703 Density= 0.136689 ETOT(band)= -0.000575 trlgG= -0.020114 logG= -0.016703 TDE= -0.134624 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009429 tlogG= -0.006582 logG= -0.016011 Density= 0.137953 ETOT(band)= 0.000766 trlgG= -0.018177 logG= -0.016011 TDE= -0.134593 logGD-logG0= -0.009717 tlogG= -0.007057 logG= -0.016773 Density= 0.147446 ETOT(band)= 0.008959 trlgG= -0.011074 logG= -0.016773 TDE= -0.135841 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009396 tlogG= -0.007218 logG= -0.016614 Density= 0.136734 ETOT(band)= -0.000183 trlgG= -0.019602 logG= -0.016614 TDE= -0.134245 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009655 tlogG= -0.007470 logG= -0.017125 Density= 0.148895 ETOT(band)= 0.010683 trlgG= -0.009731 logG= -0.017125 TDE= -0.135536 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009375 tlogG= -0.007252 logG= -0.016627 Density= 0.136957 ETOT(band)= 0.000215 trlgG= -0.019130 logG= -0.016627 TDE= -0.133974 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009436 tlogG= -0.006550 logG= -0.015986 Density= 0.137901 ETOT(band)= 0.000793 trlgG= -0.018159 logG= -0.015986 TDE= -0.134549 logGD-logG0= -0.009340 tlogG= -0.007285 logG= -0.016625 Density= 0.137388 ETOT(band)= 0.001103 trlgG= -0.018079 logG= -0.016625 TDE= -0.133338 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009520 tlogG= -0.006287 logG= -0.015808 logGD-logG0= -0.009687 tlogG= -0.006440 logG= -0.016128 Density= 0.140320 ETOT(band)= 0.003385 trlgG= -0.015225 logG= -0.015808 TDE= -0.134116 Density= 0.142455 ETOT(band)= 0.004255 trlgG= -0.014924 logG= -0.016128 TDE= -0.135545 logGD-logG0= -0.009401 tlogG= -0.006453 logG= -0.015853 Density= 0.137721 ETOT(band)= 0.001030 trlgG= -0.017700 logG= -0.015853 TDE= -0.134052 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009369 tlogG= -0.006744 logG= -0.016113 Density= 0.139072 ETOT(band)= 0.002976 trlgG= -0.015737 logG= -0.016113 TDE= -0.133125 logGD-logG0= -0.004773 tlogG= -0.002537 logG= -0.007311 logGD-logG0= -0.009482 tlogG= -0.005866 logG= -0.015348 Density= 0.138143 ETOT(band)= 0.001069 trlgG= -0.017204 logG= -0.015348 TDE= -0.134465 Density= 0.065258 ETOT(band)= -0.002813 trlgG= -0.011388 logG= -0.007311 TDE= -0.066722 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004759 tlogG= -0.003060 logG= -0.007819 Density= 0.067625 ETOT(band)= -0.001207 trlgG= -0.010444 logG= -0.007819 TDE= -0.067542 logGD-logG0= -0.009423 tlogG= -0.006766 logG= -0.016188 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138509 ETOT(band)= 0.001694 trlgG= -0.017206 logG= -0.016188 TDE= -0.133978 logGD-logG0= -0.009588 tlogG= -0.006506 logG= -0.016094 Density= 0.143463 ETOT(band)= 0.006715 trlgG= -0.012264 logG= -0.016094 TDE= -0.133887 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009463 tlogG= -0.005545 logG= -0.015007 Density= 0.136916 ETOT(band)= 0.000378 trlgG= -0.017552 logG= -0.015007 TDE= -0.133976 logGD-logG0= -0.009526 tlogG= -0.005943 logG= -0.015469 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.135937 ETOT(band)= -0.001396 trlgG= -0.019713 logG= -0.015469 TDE= -0.134735 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009508 tlogG= -0.005551 logG= -0.015058 Density= 0.133736 ETOT(band)= -0.003134 trlgG= -0.020974 logG= -0.015058 TDE= -0.134295 logGD-logG0= -0.009498 tlogG= -0.006067 logG= -0.015564 Density= 0.138707 ETOT(band)= 0.001601 trlgG= -0.016810 logG= -0.015564 TDE= -0.134397 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009420 tlogG= -0.006780 logG= -0.016200 Density= 0.137565 ETOT(band)= 0.000311 trlgG= -0.018836 logG= -0.016200 TDE= -0.134690 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009735 tlogG= -0.006444 logG= -0.016180 Density= 0.142962 ETOT(band)= 0.004225 trlgG= -0.015109 logG= -0.016180 TDE= -0.136165 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019428 tlogG= -0.012623 logG= -0.032050 Density= 0.284988 ETOT(band)= 0.008082 trlgG= -0.030182 logG= -0.032050 TDE= -0.271703 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019136 tlogG= -0.010026 logG= -0.029162 Density= 0.263561 ETOT(band)= -0.008876 trlgG= -0.043480 logG= -0.029162 TDE= -0.267321 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018763 tlogG= -0.013608 logG= -0.032371 Density= 0.275927 ETOT(band)= 0.003039 trlgG= -0.034701 logG= -0.032371 TDE= -0.267204 logGD-logG0= -0.019186 tlogG= -0.011921 logG= -0.031107 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.281526 ETOT(band)= 0.006920 trlgG= -0.030143 logG= -0.031107 TDE= -0.269285 logGD-logG0= -0.019038 tlogG= -0.010698 logG= -0.029736 Density= 0.271524 ETOT(band)= -0.002012 trlgG= -0.037525 logG= -0.029736 TDE= -0.268436 logGD-logG0= -0.018936 tlogG= -0.011822 logG= -0.030758 Density= 0.278028 ETOT(band)= 0.004093 trlgG= -0.032606 logG= -0.030758 TDE= -0.268739 logGD-logG0= -0.018954 tlogG= -0.011965 logG= -0.030919 Density= 0.278355 ETOT(band)= 0.004121 trlgG= -0.032781 logG= -0.030919 TDE= -0.269067 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004851 tlogG= -0.003530 logG= -0.008381 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.074793 ETOT(band)= 0.005043 trlgG= -0.004975 logG= -0.008381 TDE= -0.068391 logGD-logG0= -0.018831 tlogG= -0.013561 logG= -0.032392 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.275293 ETOT(band)= 0.001243 trlgG= -0.036912 logG= -0.032392 TDE= -0.268784 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018866 tlogG= -0.012210 logG= -0.031076 Density= 0.279013 ETOT(band)= 0.006514 trlgG= -0.030149 logG= -0.031076 TDE= -0.266910 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019472 tlogG= -0.012610 logG= -0.032081 logGD-logG0= -0.018861 tlogG= -0.011498 logG= -0.030358 Density= 0.276639 ETOT(band)= 0.004024 trlgG= -0.032085 logG= -0.030358 TDE= -0.267285 logGD-logG0= -0.019057 tlogG= -0.011310 logG= -0.030366 Density= 0.275583 ETOT(band)= 0.001369 trlgG= -0.034746 logG= -0.030366 TDE= -0.268924 Density= 0.289323 ETOT(band)= 0.014561 trlgG= -0.023591 logG= -0.032081 TDE= -0.269243 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018935 tlogG= -0.012118 logG= -0.031053 Density= 0.278165 ETOT(band)= 0.004519 trlgG= -0.032313 logG= -0.031053 TDE= -0.268283 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000386 tlogG= 0.008635 logG= 0.008249 Density= 0.005719 ETOT(band)= 0.000064 trlgG= 0.008210 logG= 0.008249 TDE= -0.005530 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.009603 tlogG= -0.004805 logG= -0.014407 Density= 0.130746 ETOT(band)= -0.005459 trlgG= -0.022568 logG= -0.014407 TDE= -0.133668 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019147 tlogG= -0.010317 logG= -0.029464 Density= 0.278245 ETOT(band)= 0.004738 trlgG= -0.030547 logG= -0.029464 TDE= -0.268181 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019077 tlogG= -0.011528 logG= -0.030605 Density= 0.270259 ETOT(band)= -0.004441 trlgG= -0.040754 logG= -0.030605 TDE= -0.269583 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019123 tlogG= -0.010458 logG= -0.029581 Density= 0.272474 ETOT(band)= -0.001674 trlgG= -0.036872 logG= -0.029581 TDE= -0.268851 logGD-logG0= -0.009535 tlogG= -0.005381 logG= -0.014916 Density= 0.132969 ETOT(band)= -0.003855 trlgG= -0.021488 logG= -0.014916 TDE= -0.134215 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019085 tlogG= -0.010397 logG= -0.029482 Density= 0.274450 ETOT(band)= 0.001934 trlgG= -0.033271 logG= -0.029482 TDE= -0.267245 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019290 tlogG= -0.011765 logG= -0.031055 logGD-logG0= -0.019224 tlogG= -0.010999 logG= -0.030223 Density= 0.280327 ETOT(band)= 0.004461 trlgG= -0.032648 logG= -0.031055 TDE= -0.270690 Density= 0.278173 ETOT(band)= 0.003695 trlgG= -0.032400 logG= -0.030223 TDE= -0.269207 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009599 tlogG= -0.005131 logG= -0.014730 Density= 0.140028 ETOT(band)= 0.002977 trlgG= -0.014720 logG= -0.014730 TDE= -0.134409 logGD-logG0= -0.009753 tlogG= -0.005900 logG= -0.015653 Density= 0.143820 ETOT(band)= 0.006222 trlgG= -0.012459 logG= -0.015653 TDE= -0.134865 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009547 tlogG= -0.005417 logG= -0.014964 Density= 0.135967 ETOT(band)= -0.001209 trlgG= -0.018872 logG= -0.014964 TDE= -0.134428 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019175 tlogG= -0.009937 logG= -0.029112 Density= 0.266841 ETOT(band)= -0.006470 trlgG= -0.041092 logG= -0.029112 TDE= -0.268131 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009557 tlogG= -0.005199 logG= -0.014756 Density= 0.136996 ETOT(band)= -0.000022 trlgG= -0.017542 logG= -0.014756 TDE= -0.134294 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009538 tlogG= -0.005063 logG= -0.014601 Density= 0.136553 ETOT(band)= -0.000340 trlgG= -0.017615 logG= -0.014601 TDE= -0.134097 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004777 tlogG= -0.002619 logG= -0.007396 Density= 0.068679 ETOT(band)= 0.000110 trlgG= -0.008716 logG= -0.007396 TDE= -0.067248 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002428 tlogG= -0.001848 logG= -0.004276 Density= 0.036911 ETOT(band)= 0.002553 trlgG= -0.002504 logG= -0.004276 TDE= -0.033660 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009297 tlogG= -0.008745 logG= -0.018041 Density= 0.139468 ETOT(band)= 0.003693 trlgG= -0.016765 logG= -0.018041 TDE= -0.132605 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002326 tlogG= -0.002327 logG= -0.004653 Density= 0.034891 ETOT(band)= 0.000941 trlgG= -0.004347 logG= -0.004653 TDE= -0.033187 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009346 tlogG= -0.007679 logG= -0.017025 logGD-logG0= -0.002373 tlogG= -0.001953 logG= -0.004326 Density= 0.138624 ETOT(band)= 0.002898 trlgG= -0.016489 logG= -0.017025 TDE= -0.132535 Density= 0.035800 ETOT(band)= 0.001756 trlgG= -0.003229 logG= -0.004326 TDE= -0.033269 logGD-logG0= -0.009393 tlogG= -0.007332 logG= -0.016725 Density= 0.137625 ETOT(band)= 0.001653 trlgG= -0.017588 logG= -0.016725 TDE= -0.132975 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004665 tlogG= -0.003986 logG= -0.008650 Density= 0.069960 ETOT(band)= 0.002148 trlgG= -0.007736 logG= -0.008650 TDE= -0.066243 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009410 tlogG= -0.007259 logG= -0.016669 Density= 0.141026 ETOT(band)= 0.005242 trlgG= -0.014085 logG= -0.016669 TDE= -0.132793 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009639 tlogG= -0.007117 logG= -0.016756 Density= 0.144793 ETOT(band)= 0.008280 trlgG= -0.011263 logG= -0.016756 TDE= -0.133500 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009359 tlogG= -0.008364 logG= -0.017723 Density= 0.140898 ETOT(band)= 0.005047 trlgG= -0.015229 logG= -0.017723 TDE= -0.132759 logGD-logG0= -0.009329 tlogG= -0.007909 logG= -0.017238 Density= 0.138886 ETOT(band)= 0.003273 trlgG= -0.016376 logG= -0.017238 TDE= -0.132460 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009400 tlogG= -0.006816 logG= -0.016215 Density= 0.139406 ETOT(band)= 0.003944 trlgG= -0.014849 logG= -0.016215 TDE= -0.132456 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009564 tlogG= -0.005252 logG= -0.014816 Density= 0.133613 ETOT(band)= -0.002088 trlgG= -0.019659 logG= -0.014816 TDE= -0.133104 logGD-logG0= -0.009448 tlogG= -0.006280 logG= -0.015729 logGD-logG0= -0.018700 tlogG= -0.015624 logG= -0.034324 Density= 0.137495 ETOT(band)= 0.001718 trlgG= -0.016814 logG= -0.015729 TDE= -0.133072 Density= 0.280481 ETOT(band)= 0.009097 trlgG= -0.030207 logG= -0.034324 TDE= -0.265129 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009593 tlogG= -0.004947 logG= -0.014540 Density= 0.130588 ETOT(band)= -0.004906 trlgG= -0.022134 logG= -0.014540 TDE= -0.132950 logGD-logG0= -0.004756 tlogG= -0.002789 logG= -0.007546 Density= 0.068368 ETOT(band)= 0.000733 trlgG= -0.008189 logG= -0.007546 TDE= -0.066273 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009295 tlogG= -0.008975 logG= -0.018270 Density= 0.139663 ETOT(band)= 0.003884 trlgG= -0.016870 logG= -0.018270 TDE= -0.132668 logGD-logG0= -0.019035 tlogG= -0.013102 logG= -0.032137 Density= 0.284724 ETOT(band)= 0.012673 trlgG= -0.025141 logG= -0.032137 TDE= -0.266323 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009763 tlogG= -0.006643 logG= -0.016406 Density= 0.145612 ETOT(band)= 0.008681 trlgG= -0.010822 logG= -0.016406 TDE= -0.134195 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009454 tlogG= -0.007462 logG= -0.016916 Density= 0.142483 ETOT(band)= 0.006511 trlgG= -0.013062 logG= -0.016916 TDE= -0.132921 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018809 tlogG= -0.013835 logG= -0.032644 Density= 0.277673 ETOT(band)= 0.006287 trlgG= -0.031423 logG= -0.032644 TDE= -0.265329 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009620 tlogG= -0.005626 logG= -0.015247 Density= 0.141457 ETOT(band)= 0.005368 trlgG= -0.012882 logG= -0.015247 TDE= -0.133426 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018971 tlogG= -0.011549 logG= -0.030519 Density= 0.277062 ETOT(band)= 0.005937 trlgG= -0.030219 logG= -0.030519 TDE= -0.265663 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009434 tlogG= -0.006599 logG= -0.016034 Density= 0.140857 ETOT(band)= 0.005324 trlgG= -0.013479 logG= -0.016034 TDE= -0.132660 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003099 tlogG= 0.069487 logG= 0.066388 Density= 0.046222 ETOT(band)= 0.000958 trlgG= 0.066533 logG= 0.066388 TDE= -0.044225 logGD-logG0= -0.003118 tlogG= 0.069886 logG= 0.066768 Density= 0.046293 ETOT(band)= 0.001058 trlgG= 0.067029 logG= 0.066768 TDE= -0.044177 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003089 tlogG= 0.069203 logG= 0.066114 Density= 0.045873 ETOT(band)= 0.000639 trlgG= 0.065914 logG= 0.066114 TDE= -0.044236 logGD-logG0= -0.002317 tlogG= 0.051922 logG= 0.049605 Density= 0.034467 ETOT(band)= 0.000529 trlgG= 0.049511 logG= 0.049605 TDE= -0.033180 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009293 tlogG= 0.208478 logG= 0.199186 Density= 0.138641 ETOT(band)= 0.002911 trlgG= 0.199575 logG= 0.199186 TDE= -0.132698 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009328 tlogG= 0.209179 logG= 0.199851 Density= 0.139140 ETOT(band)= 0.003433 trlgG= 0.200799 logG= 0.199851 TDE= -0.132618 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004638 tlogG= 0.104057 logG= 0.099420 Density= 0.069176 ETOT(band)= 0.001288 trlgG= 0.099473 logG= 0.099420 TDE= -0.066351 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.49302706526411 eV TrLogG= -13.7220432327272 eV Ratio to renormalize= 0.999999999714 rho-rho_expected= 0.000000004577 nargs= 1 argi=dmft2.def 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 25) Finished k-point number 26 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 89) Finished k-point number 90 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 88) Finished k-point number 89 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 98) Finished k-point number 99 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 58) Finished k-point number 59 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931358203623260 0.927967408630006 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 15) Finished k-point number 16 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 3) Finished k-point number 4 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 53) Finished k-point number 54 1 with #bands= 18 9) Finished k-point number 10 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 68) Finished k-point number 69 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 75) Finished k-point number 76 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 90) Finished k-point number 91 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0606721377454 Density= 15.9999398183632 16.0000000000000 EF 13.3327859698590 Density= 16.4962315690395 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97994178 0.95994178 0.496232 -0.601816E-04 1 0.96994178 0.95994180 0.257471 -0.601816E-04 2 0.96494179 0.95994155 0.131815 -0.601817E-04 3 0.96244167 0.95994168 0.669037E-01 -0.601816E-04 4 0.96119167 0.95994161 0.337153E-01 -0.601816E-04 5 0.96056664 0.95994141 0.169037E-01 -0.601817E-04 6 0.96025403 0.95994151 0.843682E-02 -0.601817E-04 7 0.96009777 0.95994170 0.418973E-02 -0.601816E-04 8 0.96001973 0.95994184 0.206491E-02 -0.601816E-04 9 0.95998079 0.95994153 0.100351E-02 -0.601816E-04 10 0.95996116 0.95994169 0.468335E-03 -0.601816E-04 11 0.95995142 0.95994161 0.202805E-03 -0.601816E-04 12 0.95994652 0.95994141 0.689649E-04 -0.601817E-04 13 0.95994371 0.95994618 -0.753538E-05 0.689649E-04 14 0.95994395 0.95994618 -0.908528E-06 0.689649E-04 15 0.95994399 0.95994618 -0.118150E-07 0.689649E-04 16 0.95994399 0.95994618 -0.205382E-10 0.689649E-04 Absolute convergence of |F(X)|. Difference in EF= 0.0000300175 EF set to : 13.0607021552 new EF (no-mixing): 13.0607021552 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001204 tlogG= -0.001236 logG= -0.002441 Density= 0.018986 ETOT(band)= 0.001242 trlgG= -0.001603 logG= -0.002441 TDE= -0.017388 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004801 tlogG= -0.004567 logG= -0.009369 Density= 0.075872 ETOT(band)= 0.005178 trlgG= -0.005810 logG= -0.009369 TDE= -0.069274 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002401 tlogG= -0.002378 logG= -0.004779 Density= 0.037924 ETOT(band)= 0.002579 trlgG= -0.003012 logG= -0.004779 TDE= -0.034638 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009611 tlogG= -0.009429 logG= -0.019040 Density= 0.151792 ETOT(band)= 0.010193 trlgG= -0.012083 logG= -0.019040 TDE= -0.138754 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009637 tlogG= -0.007965 logG= -0.017601 Density= 0.150650 ETOT(band)= 0.010569 trlgG= -0.010387 logG= -0.017601 TDE= -0.137401 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001571 tlogG= -0.001303 logG= -0.002874 Density= 0.022786 ETOT(band)= -0.000162 trlgG= -0.003481 logG= -0.002874 TDE= -0.022479 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.002406 tlogG= -0.002055 logG= -0.004461 Density= 0.037461 ETOT(band)= 0.002600 trlgG= -0.002718 logG= -0.004461 TDE= -0.034217 logGD-logG0= -0.004821 tlogG= -0.004145 logG= -0.008966 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.075533 ETOT(band)= 0.005215 trlgG= -0.005436 logG= -0.008966 TDE= -0.068978 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019251 tlogG= -0.014589 logG= -0.033840 Density= 0.299292 ETOT(band)= 0.020970 trlgG= -0.019375 logG= -0.033840 TDE= -0.272839 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009652 tlogG= -0.008703 logG= -0.018355 logGD-logG0= -0.009651 tlogG= -0.006546 logG= -0.016197 Density= 0.151323 ETOT(band)= 0.010665 trlgG= -0.011019 logG= -0.018355 TDE= -0.137926 Density= 0.147152 ETOT(band)= 0.008307 trlgG= -0.011127 logG= -0.016197 TDE= -0.136187 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003136 tlogG= -0.002501 logG= -0.005637 Density= 0.045402 ETOT(band)= -0.000317 trlgG= -0.006884 logG= -0.005637 TDE= -0.044830 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009612 tlogG= -0.007706 logG= -0.017318 Density= 0.149984 ETOT(band)= 0.010952 trlgG= -0.009684 logG= -0.017318 TDE= -0.136342 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003090 tlogG= -0.002578 logG= -0.005668 Density= 0.045897 ETOT(band)= 0.000588 trlgG= -0.005857 logG= -0.005668 TDE= -0.044247 logGD-logG0= -0.019272 tlogG= -0.015705 logG= -0.034977 Density= 0.301474 ETOT(band)= 0.021081 trlgG= -0.020609 logG= -0.034977 TDE= -0.275030 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009661 tlogG= -0.006597 logG= -0.016258 Density= 0.143652 ETOT(band)= 0.004760 trlgG= -0.014668 logG= -0.016258 TDE= -0.136307 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003118 tlogG= -0.002527 logG= -0.005645 Density= 0.045629 ETOT(band)= 0.000085 trlgG= -0.006415 logG= -0.005645 TDE= -0.044572 logGD-logG0= -0.009412 tlogG= -0.007294 logG= -0.016705 Density= 0.136688 ETOT(band)= -0.000574 trlgG= -0.020116 logG= -0.016705 TDE= -0.134624 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009419 tlogG= -0.007375 logG= -0.016794 Density= 0.136814 ETOT(band)= -0.000634 trlgG= -0.020248 logG= -0.016794 TDE= -0.134788 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009641 tlogG= -0.008571 logG= -0.018212 Density= 0.150868 ETOT(band)= 0.010668 trlgG= -0.010916 logG= -0.018212 TDE= -0.137530 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009396 tlogG= -0.007218 logG= -0.016615 Density= 0.136734 ETOT(band)= -0.000183 trlgG= -0.019603 logG= -0.016615 TDE= -0.134245 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009655 tlogG= -0.007469 logG= -0.017124 Density= 0.148887 ETOT(band)= 0.010676 trlgG= -0.009737 logG= -0.017124 TDE= -0.135536 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009340 tlogG= -0.007286 logG= -0.016626 Density= 0.137387 ETOT(band)= 0.001104 trlgG= -0.018079 logG= -0.016626 TDE= -0.133338 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009687 tlogG= -0.006440 logG= -0.016127 Density= 0.142454 ETOT(band)= 0.004254 trlgG= -0.014924 logG= -0.016127 TDE= -0.135545 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004759 tlogG= -0.003060 logG= -0.007819 Density= 0.067627 ETOT(band)= -0.001205 trlgG= -0.010443 logG= -0.007819 TDE= -0.067542 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009369 tlogG= -0.006745 logG= -0.016114 Density= 0.139071 ETOT(band)= 0.002976 trlgG= -0.015738 logG= -0.016114 TDE= -0.133124 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009482 tlogG= -0.005865 logG= -0.015347 Density= 0.138142 ETOT(band)= 0.001069 trlgG= -0.017203 logG= -0.015347 TDE= -0.134465 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009508 tlogG= -0.005553 logG= -0.015061 Density= 0.133743 ETOT(band)= -0.003126 trlgG= -0.020970 logG= -0.015061 TDE= -0.134295 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009588 tlogG= -0.006506 logG= -0.016094 Density= 0.143462 ETOT(band)= 0.006714 trlgG= -0.012265 logG= -0.016094 TDE= -0.133886 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019057 tlogG= -0.011309 logG= -0.030366 Density= 0.275582 ETOT(band)= 0.001368 trlgG= -0.034746 logG= -0.030366 TDE= -0.268923 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018830 tlogG= -0.013558 logG= -0.032388 Density= 0.275292 ETOT(band)= 0.001242 trlgG= -0.036907 logG= -0.032388 TDE= -0.268784 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009735 tlogG= -0.006444 logG= -0.016179 Density= 0.142961 ETOT(band)= 0.004224 trlgG= -0.015109 logG= -0.016179 TDE= -0.136165 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000386 tlogG= 0.008635 logG= 0.008249 Density= 0.005719 ETOT(band)= 0.000064 trlgG= 0.008210 logG= 0.008249 TDE= -0.005530 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.018955 tlogG= -0.011968 logG= -0.030923 Density= 0.278356 ETOT(band)= 0.004124 trlgG= -0.032784 logG= -0.030923 TDE= -0.269067 logGD-logG0= -0.019186 tlogG= -0.011922 logG= -0.031109 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.281525 ETOT(band)= 0.006920 trlgG= -0.030145 logG= -0.031109 TDE= -0.269284 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018866 tlogG= -0.012208 logG= -0.031074 Density= 0.279013 ETOT(band)= 0.006516 trlgG= -0.030146 logG= -0.031074 TDE= -0.266909 logGD-logG0= -0.009605 tlogG= -0.004809 logG= -0.014414 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.130747 ETOT(band)= -0.005455 trlgG= -0.022572 logG= -0.014414 TDE= -0.133668 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009717 tlogG= -0.007055 logG= -0.016772 Density= 0.147440 ETOT(band)= 0.008954 trlgG= -0.011079 logG= -0.016772 TDE= -0.135840 logGD-logG0= -0.019082 tlogG= -0.010391 logG= -0.029473 Density= 0.274443 ETOT(band)= 0.001927 trlgG= -0.033268 logG= -0.029473 TDE= -0.267244 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019079 tlogG= -0.011533 logG= -0.030611 Density= 0.270267 ETOT(band)= -0.004431 trlgG= -0.040752 logG= -0.030611 TDE= -0.269582 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019291 tlogG= -0.011765 logG= -0.031056 Density= 0.280323 ETOT(band)= 0.004460 trlgG= -0.032651 logG= -0.031056 TDE= -0.270690 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009498 tlogG= -0.006065 logG= -0.015562 Density= 0.138706 ETOT(band)= 0.001600 trlgG= -0.016809 logG= -0.015562 TDE= -0.134397 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004851 tlogG= -0.003530 logG= -0.008381 Density= 0.074792 ETOT(band)= 0.005042 trlgG= -0.004975 logG= -0.008381 TDE= -0.068391 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019123 tlogG= -0.010455 logG= -0.029578 Density= 0.272466 ETOT(band)= -0.001680 trlgG= -0.036875 logG= -0.029578 TDE= -0.268850 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009538 tlogG= -0.005063 logG= -0.014601 Density= 0.136549 ETOT(band)= -0.000342 trlgG= -0.017618 logG= -0.014601 TDE= -0.134096 logGD-logG0= -0.009557 tlogG= -0.005199 logG= -0.014756 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136995 ETOT(band)= -0.000022 trlgG= -0.017542 logG= -0.014756 TDE= -0.134294 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004777 tlogG= -0.002618 logG= -0.007396 Density= 0.068678 ETOT(band)= 0.000110 trlgG= -0.008716 logG= -0.007396 TDE= -0.067248 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009462 tlogG= -0.005544 logG= -0.015006 Density= 0.136915 ETOT(band)= 0.000378 trlgG= -0.017550 logG= -0.015006 TDE= -0.133975 logGD-logG0= -0.009526 tlogG= -0.005942 logG= -0.015468 Density= 0.135936 ETOT(band)= -0.001396 trlgG= -0.019713 logG= -0.015468 TDE= -0.134735 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009520 tlogG= -0.006286 logG= -0.015807 Density= 0.140319 ETOT(band)= 0.003384 trlgG= -0.015224 logG= -0.015807 TDE= -0.134116 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009423 tlogG= -0.006766 logG= -0.016189 Density= 0.138508 ETOT(band)= 0.001694 trlgG= -0.017207 logG= -0.016189 TDE= -0.133978 logGD-logG0= -0.019427 tlogG= -0.012622 logG= -0.032049 Density= 0.284979 ETOT(band)= 0.008074 trlgG= -0.030188 logG= -0.032049 TDE= -0.271703 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019144 tlogG= -0.010319 logG= -0.029464 Density= 0.278243 ETOT(band)= 0.004736 trlgG= -0.030547 logG= -0.029464 TDE= -0.268181 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009548 tlogG= -0.005418 logG= -0.014965 Density= 0.135965 ETOT(band)= -0.001210 trlgG= -0.018874 logG= -0.014965 TDE= -0.134427 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009753 tlogG= -0.005899 logG= -0.015652 Density= 0.143819 ETOT(band)= 0.006221 trlgG= -0.012459 logG= -0.015652 TDE= -0.134865 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009420 tlogG= -0.006781 logG= -0.016200 Density= 0.137565 ETOT(band)= 0.000311 trlgG= -0.018835 logG= -0.016200 TDE= -0.134690 logGD-logG0= -0.018762 tlogG= -0.013606 logG= -0.032368 logGD-logG0= -0.009376 tlogG= -0.007252 logG= -0.016627 Density= 0.275924 ETOT(band)= 0.003038 trlgG= -0.034700 logG= -0.032368 TDE= -0.267203 Density= 0.136956 ETOT(band)= 0.000215 trlgG= -0.019131 logG= -0.016627 TDE= -0.133974 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004773 tlogG= -0.002535 logG= -0.007308 Density= 0.065252 ETOT(band)= -0.002819 trlgG= -0.011391 logG= -0.007308 TDE= -0.066722 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009296 tlogG= -0.008745 logG= -0.018041 Density= 0.139467 ETOT(band)= 0.003693 trlgG= -0.016766 logG= -0.018041 TDE= -0.132605 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009599 tlogG= -0.005129 logG= -0.014727 Density= 0.140026 ETOT(band)= 0.002975 trlgG= -0.014719 logG= -0.014727 TDE= -0.134409 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019226 tlogG= -0.011000 logG= -0.030225 Density= 0.278213 ETOT(band)= 0.003736 trlgG= -0.032363 logG= -0.030225 TDE= -0.269207 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009346 tlogG= -0.007679 logG= -0.017025 Density= 0.138624 ETOT(band)= 0.002899 trlgG= -0.016489 logG= -0.017025 TDE= -0.132535 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002373 tlogG= -0.001953 logG= -0.004326 Density= 0.035800 ETOT(band)= 0.001756 trlgG= -0.003229 logG= -0.004326 TDE= -0.033269 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018937 tlogG= -0.011817 logG= -0.030754 Density= 0.278031 ETOT(band)= 0.004099 trlgG= -0.032598 logG= -0.030754 TDE= -0.268739 logGD-logG0= -0.018933 tlogG= -0.012117 logG= -0.031051 Density= 0.278165 ETOT(band)= 0.004519 trlgG= -0.032310 logG= -0.031051 TDE= -0.268282 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019139 tlogG= -0.010037 logG= -0.029176 Density= 0.263621 ETOT(band)= -0.008812 trlgG= -0.043435 logG= -0.029176 TDE= -0.267320 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018862 tlogG= -0.011498 logG= -0.030360 Density= 0.276637 ETOT(band)= 0.004025 trlgG= -0.032088 logG= -0.030360 TDE= -0.267284 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009436 tlogG= -0.006551 logG= -0.015987 Density= 0.137901 ETOT(band)= 0.000795 trlgG= -0.018158 logG= -0.015987 TDE= -0.134549 logGD-logG0= -0.019472 tlogG= -0.012607 logG= -0.032079 Density= 0.289322 ETOT(band)= 0.014561 trlgG= -0.023589 logG= -0.032079 TDE= -0.269243 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009428 tlogG= -0.006585 logG= -0.016013 Density= 0.137951 ETOT(band)= 0.000765 trlgG= -0.018181 logG= -0.016013 TDE= -0.134593 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009449 tlogG= -0.006280 logG= -0.015728 Density= 0.137495 ETOT(band)= 0.001720 trlgG= -0.016813 logG= -0.015728 TDE= -0.133072 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018700 tlogG= -0.015623 logG= -0.034322 Density= 0.280480 ETOT(band)= 0.009098 trlgG= -0.030205 logG= -0.034322 TDE= -0.265128 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019039 tlogG= -0.010696 logG= -0.029735 Density= 0.271520 ETOT(band)= -0.002014 trlgG= -0.037527 logG= -0.029735 TDE= -0.268436 logGD-logG0= -0.009399 tlogG= -0.006816 logG= -0.016215 Density= 0.139404 ETOT(band)= 0.003943 trlgG= -0.014850 logG= -0.016215 TDE= -0.132455 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019035 tlogG= -0.013099 logG= -0.032133 Density= 0.284729 ETOT(band)= 0.012678 trlgG= -0.025132 logG= -0.032133 TDE= -0.266322 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018809 tlogG= -0.013831 logG= -0.032640 Density= 0.277674 ETOT(band)= 0.006289 trlgG= -0.031417 logG= -0.032640 TDE= -0.265329 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009592 tlogG= -0.004945 logG= -0.014536 Density= 0.130582 ETOT(band)= -0.004912 trlgG= -0.022135 logG= -0.014536 TDE= -0.132950 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018973 tlogG= -0.011554 logG= -0.030527 Density= 0.277067 ETOT(band)= 0.005946 trlgG= -0.030220 logG= -0.030527 TDE= -0.265662 logGD-logG0= -0.009360 tlogG= -0.008364 logG= -0.017723 Density= 0.140897 ETOT(band)= 0.005048 trlgG= -0.015229 logG= -0.017723 TDE= -0.132759 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009534 tlogG= -0.005379 logG= -0.014913 Density= 0.132964 ETOT(band)= -0.003861 trlgG= -0.021491 logG= -0.014913 TDE= -0.134215 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009454 tlogG= -0.007462 logG= -0.016916 Density= 0.142482 ETOT(band)= 0.006511 trlgG= -0.013062 logG= -0.016916 TDE= -0.132921 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002428 tlogG= -0.001848 logG= -0.004275 Density= 0.036910 ETOT(band)= 0.002553 trlgG= -0.002504 logG= -0.004275 TDE= -0.033660 logGD-logG0= -0.009639 tlogG= -0.007117 logG= -0.016756 logGD-logG0= -0.009563 tlogG= -0.005251 logG= -0.014813 Density= 0.133609 ETOT(band)= -0.002092 trlgG= -0.019659 logG= -0.014813 TDE= -0.133104 Density= 0.144791 ETOT(band)= 0.008279 trlgG= -0.011265 logG= -0.016756 TDE= -0.133500 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009400 tlogG= -0.006449 logG= -0.015849 Density= 0.137722 ETOT(band)= 0.001032 trlgG= -0.017695 logG= -0.015849 TDE= -0.134051 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002326 tlogG= -0.002327 logG= -0.004653 Density= 0.034891 ETOT(band)= 0.000941 trlgG= -0.004347 logG= -0.004653 TDE= -0.033187 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004665 tlogG= -0.003985 logG= -0.008649 Density= 0.069960 ETOT(band)= 0.002149 trlgG= -0.007734 logG= -0.008649 TDE= -0.066243 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009410 tlogG= -0.007259 logG= -0.016669 Density= 0.141026 ETOT(band)= 0.005242 trlgG= -0.014086 logG= -0.016669 TDE= -0.132793 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019172 tlogG= -0.009936 logG= -0.029108 Density= 0.266840 ETOT(band)= -0.006472 trlgG= -0.041087 logG= -0.029108 TDE= -0.268130 logGD-logG0= -0.003089 tlogG= 0.069204 logG= 0.066114 Density= 0.045873 ETOT(band)= 0.000639 trlgG= 0.065914 logG= 0.066114 TDE= -0.044236 logGD-logG0= -0.003118 tlogG= 0.069886 logG= 0.066767 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.046293 ETOT(band)= 0.001059 trlgG= 0.067029 logG= 0.066767 TDE= -0.044177 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002317 tlogG= 0.051922 logG= 0.049605 Density= 0.034467 ETOT(band)= 0.000529 trlgG= 0.049511 logG= 0.049605 TDE= -0.033180 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009620 tlogG= -0.005626 logG= -0.015246 Density= 0.141456 ETOT(band)= 0.005368 trlgG= -0.012882 logG= -0.015246 TDE= -0.133426 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009763 tlogG= -0.006642 logG= -0.016406 Density= 0.145611 ETOT(band)= 0.008681 trlgG= -0.010822 logG= -0.016406 TDE= -0.134195 logGD-logG0= -0.009435 tlogG= -0.006597 logG= -0.016032 Density= 0.140856 ETOT(band)= 0.005324 trlgG= -0.013477 logG= -0.016032 TDE= -0.132660 logGD-logG0= -0.004756 tlogG= -0.002790 logG= -0.007546 Density= 0.068369 ETOT(band)= 0.000734 trlgG= -0.008189 logG= -0.007546 TDE= -0.066273 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009292 tlogG= 0.208480 logG= 0.199188 Density= 0.138640 ETOT(band)= 0.002911 trlgG= 0.199577 logG= 0.199188 TDE= -0.132697 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009295 tlogG= -0.008975 logG= -0.018270 Density= 0.139662 ETOT(band)= 0.003884 trlgG= -0.016870 logG= -0.018270 TDE= -0.132668 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009328 tlogG= -0.007908 logG= -0.017236 Density= 0.138885 ETOT(band)= 0.003274 trlgG= -0.016374 logG= -0.017236 TDE= -0.132460 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003099 tlogG= 0.069487 logG= 0.066388 Density= 0.046222 ETOT(band)= 0.000959 trlgG= 0.066533 logG= 0.066388 TDE= -0.044225 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009328 tlogG= 0.209180 logG= 0.199852 Density= 0.139139 ETOT(band)= 0.003433 trlgG= 0.200800 logG= 0.199852 TDE= -0.132618 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004638 tlogG= 0.104057 logG= 0.099418 Density= 0.069175 ETOT(band)= 0.001288 trlgG= 0.099472 logG= 0.099418 TDE= -0.066351 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009393 tlogG= -0.007332 logG= -0.016725 Density= 0.137624 ETOT(band)= 0.001653 trlgG= -0.017588 logG= -0.016725 TDE= -0.132974 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Sum of eigenvalues= 4.49416459875154 eV TrLogG= -13.7208178119587 eV Ratio to renormalize= 0.999999999715 rho-rho_expected= 0.000000004557 nargs= 1 argi=dmft2.def 10) Finished k-point number 11 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 39) Finished k-point number 40 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 62) Finished k-point number 63 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 55) Finished k-point number 56 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 61) Finished k-point number 62 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 86) Finished k-point number 87 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 95) Finished k-point number 96 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931396017099043 0.927948835201596 25) Finished k-point number 26 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 13) Finished k-point number 14 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 20 8) Finished k-point number 9 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 16) Finished k-point number 17 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0607021552228 Density= 16.0008567136662 16.0000000000000 EF 12.7885883231092 Density= 15.3565063643110 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95994399 0.93994399 0.856714E-03 -0.643494 1 0.95991740 0.93994399 0.131754E-03 -0.643494 2 0.95991256 0.95991740 -0.518087E-08 0.131754E-03 3 0.95991257 0.95991256 0.191847E-12 -0.518087E-08 Absolute convergence of |F(X)|. Difference in EF= -0.0004275333 EF set to : 13.0602746220 new EF (no-mixing): 13.0602746220 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001204 tlogG= -0.001236 logG= -0.002441 Density= 0.018987 ETOT(band)= 0.001242 trlgG= -0.001603 logG= -0.002441 TDE= -0.017388 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009611 tlogG= -0.009429 logG= -0.019039 Density= 0.151795 ETOT(band)= 0.010192 trlgG= -0.012083 logG= -0.019039 TDE= -0.138753 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002401 tlogG= -0.002378 logG= -0.004779 Density= 0.037924 ETOT(band)= 0.002579 trlgG= -0.003012 logG= -0.004779 TDE= -0.034637 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004801 tlogG= -0.004567 logG= -0.009369 Density= 0.075873 ETOT(band)= 0.005177 trlgG= -0.005810 logG= -0.009369 TDE= -0.069273 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002406 tlogG= -0.002055 logG= -0.004460 Density= 0.037461 ETOT(band)= 0.002600 trlgG= -0.002718 logG= -0.004460 TDE= -0.034217 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001571 tlogG= -0.001304 logG= -0.002875 Density= 0.022786 ETOT(band)= -0.000162 trlgG= -0.003482 logG= -0.002875 TDE= -0.022479 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009637 tlogG= -0.007965 logG= -0.017601 Density= 0.150653 ETOT(band)= 0.010568 trlgG= -0.010387 logG= -0.017601 TDE= -0.137399 logGD-logG0= -0.009641 tlogG= -0.008570 logG= -0.018211 Density= 0.150872 ETOT(band)= 0.010667 trlgG= -0.010916 logG= -0.018211 TDE= -0.137528 logGD-logG0= -0.009661 tlogG= -0.006596 logG= -0.016257 Density= 0.143647 ETOT(band)= 0.004752 trlgG= -0.014674 logG= -0.016257 TDE= -0.136306 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004821 tlogG= -0.004146 logG= -0.008967 Density= 0.075537 ETOT(band)= 0.005217 trlgG= -0.005435 logG= -0.008967 TDE= -0.068977 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019272 tlogG= -0.015706 logG= -0.034978 Density= 0.301481 ETOT(band)= 0.021081 trlgG= -0.020609 logG= -0.034978 TDE= -0.275027 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009612 tlogG= -0.007706 logG= -0.017318 Density= 0.149987 ETOT(band)= 0.010951 trlgG= -0.009684 logG= -0.017318 TDE= -0.136341 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009651 tlogG= -0.008703 logG= -0.018354 Density= 0.151326 ETOT(band)= 0.010664 trlgG= -0.011019 logG= -0.018354 TDE= -0.137924 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019251 tlogG= -0.014589 logG= -0.033840 Density= 0.299298 ETOT(band)= 0.020967 trlgG= -0.019377 logG= -0.033840 TDE= -0.272836 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009651 tlogG= -0.006546 logG= -0.016197 Density= 0.147152 ETOT(band)= 0.008304 trlgG= -0.011129 logG= -0.016197 TDE= -0.136186 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003136 tlogG= -0.002501 logG= -0.005637 Density= 0.045402 ETOT(band)= -0.000318 trlgG= -0.006885 logG= -0.005637 TDE= -0.044830 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003090 tlogG= -0.002578 logG= -0.005668 Density= 0.045897 ETOT(band)= 0.000587 trlgG= -0.005857 logG= -0.005668 TDE= -0.044247 logGD-logG0= -0.009411 tlogG= -0.007292 logG= -0.016703 Density= 0.136689 ETOT(band)= -0.000578 trlgG= -0.020116 logG= -0.016703 TDE= -0.134623 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009419 tlogG= -0.007380 logG= -0.016799 Density= 0.136815 ETOT(band)= -0.000637 trlgG= -0.020256 logG= -0.016799 TDE= -0.134787 logGD-logG0= -0.003118 tlogG= -0.002528 logG= -0.005646 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.045630 ETOT(band)= 0.000085 trlgG= -0.006417 logG= -0.005646 TDE= -0.044572 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009428 tlogG= -0.006583 logG= -0.016010 Density= 0.137952 ETOT(band)= 0.000762 trlgG= -0.018180 logG= -0.016010 TDE= -0.134592 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009687 tlogG= -0.006440 logG= -0.016127 Density= 0.142452 ETOT(band)= 0.004248 trlgG= -0.014929 logG= -0.016127 TDE= -0.135544 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009717 tlogG= -0.007056 logG= -0.016772 Density= 0.147442 ETOT(band)= 0.008952 trlgG= -0.011080 logG= -0.016772 TDE= -0.135839 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009654 tlogG= -0.007469 logG= -0.017123 Density= 0.148888 ETOT(band)= 0.010673 trlgG= -0.009738 logG= -0.017123 TDE= -0.135534 logGD-logG0= -0.009340 tlogG= -0.007285 logG= -0.016625 Density= 0.137388 ETOT(band)= 0.001101 trlgG= -0.018081 logG= -0.016625 TDE= -0.133337 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009397 tlogG= -0.007221 logG= -0.016618 Density= 0.136735 ETOT(band)= -0.000185 trlgG= -0.019608 logG= -0.016618 TDE= -0.134244 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009376 tlogG= -0.007253 logG= -0.016628 Density= 0.136958 ETOT(band)= 0.000213 trlgG= -0.019134 logG= -0.016628 TDE= -0.133973 logGD-logG0= -0.009521 tlogG= -0.006288 logG= -0.015808 Density= 0.140318 ETOT(band)= 0.003380 trlgG= -0.015230 logG= -0.015808 TDE= -0.134115 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009400 tlogG= -0.006452 logG= -0.015852 Density= 0.137722 ETOT(band)= 0.001027 trlgG= -0.017702 logG= -0.015852 TDE= -0.134050 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004759 tlogG= -0.003060 logG= -0.007820 Density= 0.067627 ETOT(band)= -0.001207 trlgG= -0.010445 logG= -0.007820 TDE= -0.067541 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009588 tlogG= -0.006506 logG= -0.016094 Density= 0.143462 ETOT(band)= 0.006710 trlgG= -0.012268 logG= -0.016094 TDE= -0.133885 logGD-logG0= -0.009436 tlogG= -0.006551 logG= -0.015986 logGD-logG0= -0.009481 tlogG= -0.005865 logG= -0.015347 Density= 0.137900 ETOT(band)= 0.000789 trlgG= -0.018162 logG= -0.015986 TDE= -0.134548 Density= 0.138142 ETOT(band)= 0.001065 trlgG= -0.017206 logG= -0.015347 TDE= -0.134464 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009423 tlogG= -0.006766 logG= -0.016189 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009369 tlogG= -0.006745 logG= -0.016115 Density= 0.139071 ETOT(band)= 0.002972 trlgG= -0.015742 logG= -0.016115 TDE= -0.133123 Density= 0.138508 ETOT(band)= 0.001690 trlgG= -0.017210 logG= -0.016189 TDE= -0.133977 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009462 tlogG= -0.005543 logG= -0.015005 Density= 0.136920 ETOT(band)= 0.000379 trlgG= -0.017549 logG= -0.015005 TDE= -0.133974 logGD-logG0= -0.004773 tlogG= -0.002535 logG= -0.007308 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.065253 ETOT(band)= -0.002820 trlgG= -0.011392 logG= -0.007308 TDE= -0.066722 logGD-logG0= -0.009526 tlogG= -0.005942 logG= -0.015468 Density= 0.135937 ETOT(band)= -0.001399 trlgG= -0.019715 logG= -0.015468 TDE= -0.134734 logGD-logG0= -0.009420 tlogG= -0.006779 logG= -0.016199 Density= 0.137565 ETOT(band)= 0.000308 trlgG= -0.018837 logG= -0.016199 TDE= -0.134689 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009498 tlogG= -0.006066 logG= -0.015564 Density= 0.138706 ETOT(band)= 0.001596 trlgG= -0.016814 logG= -0.015564 TDE= -0.134396 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009508 tlogG= -0.005553 logG= -0.015061 Density= 0.133735 ETOT(band)= -0.003139 trlgG= -0.020981 logG= -0.015061 TDE= -0.134294 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009735 tlogG= -0.006444 logG= -0.016179 Density= 0.142959 ETOT(band)= 0.004219 trlgG= -0.015114 logG= -0.016179 TDE= -0.136164 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019427 tlogG= -0.012623 logG= -0.032050 Density= 0.284977 ETOT(band)= 0.008066 trlgG= -0.030197 logG= -0.032050 TDE= -0.271700 logGD-logG0= -0.019038 tlogG= -0.010698 logG= -0.029737 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018830 tlogG= -0.013561 logG= -0.032391 Density= 0.271523 ETOT(band)= -0.002018 trlgG= -0.037532 logG= -0.029737 TDE= -0.268434 logGD-logG0= -0.019186 tlogG= -0.011922 logG= -0.031108 Density= 0.281523 ETOT(band)= 0.006911 trlgG= -0.030153 logG= -0.031108 TDE= -0.269282 Density= 0.275291 ETOT(band)= 0.001234 trlgG= -0.036917 logG= -0.032391 TDE= -0.268782 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018954 tlogG= -0.011972 logG= -0.030926 Density= 0.278355 ETOT(band)= 0.004115 trlgG= -0.032794 logG= -0.030926 TDE= -0.269065 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018866 tlogG= -0.012209 logG= -0.031074 logGD-logG0= -0.018936 tlogG= -0.011818 logG= -0.030754 Density= 0.278032 ETOT(band)= 0.004091 trlgG= -0.032605 logG= -0.030754 TDE= -0.268737 Density= 0.279014 ETOT(band)= 0.006509 trlgG= -0.030152 logG= -0.031074 TDE= -0.266907 logGD-logG0= -0.018761 tlogG= -0.013604 logG= -0.032364 Density= 0.275928 ETOT(band)= 0.003033 trlgG= -0.034699 logG= -0.032364 TDE= -0.267202 logGD-logG0= -0.004851 tlogG= -0.003529 logG= -0.008381 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.074793 ETOT(band)= 0.005041 trlgG= -0.004976 logG= -0.008381 TDE= -0.068390 logGD-logG0= -0.018935 tlogG= -0.012117 logG= -0.031053 Density= 0.278163 ETOT(band)= 0.004511 trlgG= -0.032321 logG= -0.031053 TDE= -0.268280 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019472 tlogG= -0.012609 logG= -0.032080 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019057 tlogG= -0.011308 logG= -0.030364 Density= 0.275578 ETOT(band)= 0.001358 trlgG= -0.034755 logG= -0.030364 TDE= -0.268921 Density= 0.289330 ETOT(band)= 0.014561 trlgG= -0.023589 logG= -0.032080 TDE= -0.269240 logGD-logG0= -0.000386 tlogG= 0.008634 logG= 0.008249 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019136 tlogG= -0.010025 logG= -0.029162 Density= 0.263555 ETOT(band)= -0.008888 trlgG= -0.043491 logG= -0.029162 TDE= -0.267319 Density= 0.005719 ETOT(band)= 0.000064 trlgG= 0.008209 logG= 0.008249 TDE= -0.005530 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.009536 tlogG= -0.005385 logG= -0.014920 Density= 0.132975 ETOT(band)= -0.003853 trlgG= -0.021490 logG= -0.014920 TDE= -0.134214 logGD-logG0= -0.019146 tlogG= -0.010319 logG= -0.029465 Density= 0.278242 ETOT(band)= 0.004729 trlgG= -0.030556 logG= -0.029465 TDE= -0.268178 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009607 tlogG= -0.004810 logG= -0.014417 Density= 0.130749 ETOT(band)= -0.005456 trlgG= -0.022577 logG= -0.014417 TDE= -0.133667 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018861 tlogG= -0.011492 logG= -0.030353 Density= 0.276641 ETOT(band)= 0.004021 trlgG= -0.032083 logG= -0.030353 TDE= -0.267282 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019078 tlogG= -0.011531 logG= -0.030609 Density= 0.270265 ETOT(band)= -0.004441 trlgG= -0.040759 logG= -0.030609 TDE= -0.269581 logGD-logG0= -0.009598 tlogG= -0.005128 logG= -0.014726 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.140018 ETOT(band)= 0.002963 trlgG= -0.014729 logG= -0.014726 TDE= -0.134408 logGD-logG0= -0.019123 tlogG= -0.010453 logG= -0.029576 Density= 0.272465 ETOT(band)= -0.001688 trlgG= -0.036882 logG= -0.029576 TDE= -0.268848 logGD-logG0= -0.019224 tlogG= -0.010998 logG= -0.030222 Density= 0.278191 ETOT(band)= 0.003706 trlgG= -0.032388 logG= -0.030222 TDE= -0.269205 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019084 tlogG= -0.010399 logG= -0.029483 Density= 0.274485 ETOT(band)= 0.001963 trlgG= -0.033244 logG= -0.029483 TDE= -0.267242 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019172 tlogG= -0.009935 logG= -0.029107 Density= 0.266829 ETOT(band)= -0.006491 trlgG= -0.041103 logG= -0.029107 TDE= -0.268129 logGD-logG0= -0.019291 tlogG= -0.011766 logG= -0.031057 Density= 0.280323 ETOT(band)= 0.004452 trlgG= -0.032658 logG= -0.031057 TDE= -0.270687 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009753 tlogG= -0.005899 logG= -0.015652 Density= 0.143817 ETOT(band)= 0.006216 trlgG= -0.012464 logG= -0.015652 TDE= -0.134864 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009536 tlogG= -0.005061 logG= -0.014597 Density= 0.136559 ETOT(band)= -0.000338 trlgG= -0.017608 logG= -0.014597 TDE= -0.134095 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009547 tlogG= -0.005416 logG= -0.014963 Density= 0.135967 ETOT(band)= -0.001213 trlgG= -0.018874 logG= -0.014963 TDE= -0.134427 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009557 tlogG= -0.005199 logG= -0.014756 Density= 0.136994 ETOT(band)= -0.000026 trlgG= -0.017546 logG= -0.014756 TDE= -0.134293 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004777 tlogG= -0.002618 logG= -0.007396 Density= 0.068678 ETOT(band)= 0.000108 trlgG= -0.008718 logG= -0.007396 TDE= -0.067247 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002428 tlogG= -0.001848 logG= -0.004275 Density= 0.036910 ETOT(band)= 0.002552 trlgG= -0.002505 logG= -0.004275 TDE= -0.033660 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009296 tlogG= -0.008744 logG= -0.018041 Density= 0.139469 ETOT(band)= 0.003690 trlgG= -0.016767 logG= -0.018041 TDE= -0.132604 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002326 tlogG= -0.002327 logG= -0.004653 Density= 0.034891 ETOT(band)= 0.000940 trlgG= -0.004347 logG= -0.004653 TDE= -0.033187 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009346 tlogG= -0.007679 logG= -0.017025 Density= 0.138625 ETOT(band)= 0.002895 trlgG= -0.016491 logG= -0.017025 TDE= -0.132534 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009410 tlogG= -0.007259 logG= -0.016669 Density= 0.141025 ETOT(band)= 0.005238 trlgG= -0.014089 logG= -0.016669 TDE= -0.132792 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009391 tlogG= -0.007327 logG= -0.016718 Density= 0.137626 ETOT(band)= 0.001649 trlgG= -0.017584 logG= -0.016718 TDE= -0.132974 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009639 tlogG= -0.007116 logG= -0.016756 Density= 0.144791 ETOT(band)= 0.008275 trlgG= -0.011268 logG= -0.016756 TDE= -0.133499 logGD-logG0= -0.004665 tlogG= -0.003986 logG= -0.008651 Density= 0.069960 ETOT(band)= 0.002147 trlgG= -0.007738 logG= -0.008651 TDE= -0.066242 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009328 tlogG= -0.007907 logG= -0.017235 Density= 0.138886 ETOT(band)= 0.003270 trlgG= -0.016375 logG= -0.017235 TDE= -0.132459 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009359 tlogG= -0.008363 logG= -0.017722 Density= 0.140897 ETOT(band)= 0.005044 trlgG= -0.015231 logG= -0.017722 TDE= -0.132758 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002373 tlogG= -0.001953 logG= -0.004326 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.035800 ETOT(band)= 0.001755 trlgG= -0.003230 logG= -0.004326 TDE= -0.033269 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009449 tlogG= -0.006280 logG= -0.015729 Density= 0.137495 ETOT(band)= 0.001716 trlgG= -0.016816 logG= -0.015729 TDE= -0.133071 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009563 tlogG= -0.005252 logG= -0.014815 Density= 0.133613 ETOT(band)= -0.002093 trlgG= -0.019661 logG= -0.014815 TDE= -0.133103 logGD-logG0= -0.018700 tlogG= -0.015622 logG= -0.034322 Density= 0.280481 ETOT(band)= 0.009090 trlgG= -0.030211 logG= -0.034322 TDE= -0.265127 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004756 tlogG= -0.002788 logG= -0.007544 Density= 0.068365 ETOT(band)= 0.000728 trlgG= -0.008192 logG= -0.007544 TDE= -0.066273 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009399 tlogG= -0.006816 logG= -0.016214 Density= 0.139406 ETOT(band)= 0.003940 trlgG= -0.014852 logG= -0.016214 TDE= -0.132455 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009593 tlogG= -0.004947 logG= -0.014540 Density= 0.130587 ETOT(band)= -0.004910 trlgG= -0.022137 logG= -0.014540 TDE= -0.132949 logGD-logG0= -0.009295 tlogG= -0.008975 logG= -0.018270 Density= 0.139663 ETOT(band)= 0.003880 trlgG= -0.016873 logG= -0.018270 TDE= -0.132667 logGD-logG0= -0.009763 tlogG= -0.006642 logG= -0.016405 Density= 0.145611 ETOT(band)= 0.008677 trlgG= -0.010825 logG= -0.016405 TDE= -0.134194 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019035 tlogG= -0.013101 logG= -0.032135 Density= 0.284723 ETOT(band)= 0.012665 trlgG= -0.025146 logG= -0.032135 TDE= -0.266320 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009454 tlogG= -0.007462 logG= -0.016916 logGD-logG0= -0.018809 tlogG= -0.013840 logG= -0.032649 Density= 0.277671 ETOT(band)= 0.006278 trlgG= -0.031436 logG= -0.032649 TDE= -0.265327 Density= 0.142482 ETOT(band)= 0.006506 trlgG= -0.013066 logG= -0.016916 TDE= -0.132920 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009620 tlogG= -0.005626 logG= -0.015246 Density= 0.141454 ETOT(band)= 0.005362 trlgG= -0.012887 logG= -0.015246 TDE= -0.133424 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009433 tlogG= -0.006596 logG= -0.016029 Density= 0.140853 ETOT(band)= 0.005316 trlgG= -0.013481 logG= -0.016029 TDE= -0.132659 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018975 tlogG= -0.011558 logG= -0.030533 Density= 0.277071 ETOT(band)= 0.005943 trlgG= -0.030230 logG= -0.030533 TDE= -0.265660 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003099 tlogG= 0.069485 logG= 0.066386 Density= 0.046222 ETOT(band)= 0.000957 trlgG= 0.066530 logG= 0.066386 TDE= -0.044225 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003118 tlogG= 0.069883 logG= 0.066764 Density= 0.046293 ETOT(band)= 0.001058 trlgG= 0.067025 logG= 0.066764 TDE= -0.044177 logGD-logG0= -0.003089 tlogG= 0.069201 logG= 0.066112 Density= 0.045873 ETOT(band)= 0.000639 trlgG= 0.065911 logG= 0.066112 TDE= -0.044235 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002317 tlogG= 0.051920 logG= 0.049603 Density= 0.034467 ETOT(band)= 0.000528 trlgG= 0.049509 logG= 0.049603 TDE= -0.033180 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009292 tlogG= 0.208473 logG= 0.199181 Density= 0.138641 ETOT(band)= 0.002908 trlgG= 0.199568 logG= 0.199181 TDE= -0.132697 logGD-logG0= -0.004638 tlogG= 0.104055 logG= 0.099417 Density= 0.069176 ETOT(band)= 0.001286 trlgG= 0.099469 logG= 0.099417 TDE= -0.066351 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009328 tlogG= 0.209173 logG= 0.199844 Density= 0.139140 ETOT(band)= 0.003430 trlgG= 0.200790 logG= 0.199844 TDE= -0.132617 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.48815046866455 eV TrLogG= -13.7264617879358 eV Ratio to renormalize= 0.999999999714 rho-rho_expected= 0.000000004578 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 23) Finished k-point number 24 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 59) Finished k-point number 60 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 62) Finished k-point number 63 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 92) Finished k-point number 93 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 90) Finished k-point number 91 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931379430139630 0.928035228575754 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0602746219649 Density= 15.9995862459801 16.0000000000000 EF 13.3323884540785 Density= 16.4959370373938 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97991256 0.95991257 0.495937 -0.413754E-03 1 0.96991256 0.95991258 0.257141 -0.413754E-03 2 0.96491257 0.95991234 0.131470 -0.413754E-03 3 0.96241246 0.95991246 0.665555E-01 -0.413754E-03 4 0.96116246 0.95991240 0.333650E-01 -0.413754E-03 5 0.96053743 0.95991267 0.165519E-01 -0.413754E-03 6 0.96022505 0.95991277 0.809064E-02 -0.413754E-03 7 0.96006891 0.95991272 0.384636E-02 -0.413754E-03 8 0.95999081 0.95991251 0.171969E-02 -0.413754E-03 9 0.95995166 0.95991261 0.652497E-03 -0.413754E-03 10 0.95993214 0.95991256 0.120105E-03 -0.413754E-03 11 0.95992773 0.95993214 -0.146714E-06 0.120105E-03 12 0.95992773 0.95992773 0.502709E-11 -0.146714E-06 Absolute convergence of |F(X)|. Difference in EF= 0.0002063706 EF set to : 13.0604809926 new EF (no-mixing): 13.0604809926 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001204 tlogG= -0.001236 logG= -0.002441 Density= 0.018987 ETOT(band)= 0.001242 trlgG= -0.001603 logG= -0.002441 TDE= -0.017388 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009611 tlogG= -0.009430 logG= -0.019040 logGD-logG0= -0.002401 tlogG= -0.002378 logG= -0.004779 Density= 0.037924 ETOT(band)= 0.002579 trlgG= -0.003012 logG= -0.004779 TDE= -0.034637 Density= 0.151794 ETOT(band)= 0.010193 trlgG= -0.012083 logG= -0.019040 TDE= -0.138754 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004801 tlogG= -0.004568 logG= -0.009369 Density= 0.075872 ETOT(band)= 0.005178 trlgG= -0.005810 logG= -0.009369 TDE= -0.069273 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002406 tlogG= -0.002055 logG= -0.004461 Density= 0.037461 ETOT(band)= 0.002600 trlgG= -0.002718 logG= -0.004461 TDE= -0.034217 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001571 tlogG= -0.001304 logG= -0.002875 Density= 0.022786 ETOT(band)= -0.000162 trlgG= -0.003481 logG= -0.002875 TDE= -0.022479 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009661 tlogG= -0.006596 logG= -0.016257 Density= 0.143653 ETOT(band)= 0.004759 trlgG= -0.014667 logG= -0.016257 TDE= -0.136307 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009641 tlogG= -0.008571 logG= -0.018212 Density= 0.150870 ETOT(band)= 0.010668 trlgG= -0.010916 logG= -0.018212 TDE= -0.137529 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009637 tlogG= -0.007965 logG= -0.017602 Density= 0.150652 ETOT(band)= 0.010568 trlgG= -0.010387 logG= -0.017602 TDE= -0.137400 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004821 tlogG= -0.004146 logG= -0.008966 Density= 0.075536 ETOT(band)= 0.005216 trlgG= -0.005435 logG= -0.008966 TDE= -0.068978 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009651 tlogG= -0.008703 logG= -0.018355 Density= 0.151325 ETOT(band)= 0.010665 trlgG= -0.011019 logG= -0.018355 TDE= -0.137925 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019272 tlogG= -0.015708 logG= -0.034980 Density= 0.301480 ETOT(band)= 0.021083 trlgG= -0.020610 logG= -0.034980 TDE= -0.275029 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009612 tlogG= -0.007707 logG= -0.017318 Density= 0.149987 ETOT(band)= 0.010952 trlgG= -0.009684 logG= -0.017318 TDE= -0.136341 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019251 tlogG= -0.014589 logG= -0.033840 Density= 0.299294 ETOT(band)= 0.020967 trlgG= -0.019377 logG= -0.033840 TDE= -0.272838 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009651 tlogG= -0.006546 logG= -0.016197 Density= 0.147154 ETOT(band)= 0.008307 trlgG= -0.011127 logG= -0.016197 TDE= -0.136187 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003136 tlogG= -0.002502 logG= -0.005638 Density= 0.045402 ETOT(band)= -0.000317 trlgG= -0.006885 logG= -0.005638 TDE= -0.044830 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009419 tlogG= -0.007379 logG= -0.016798 Density= 0.136815 ETOT(band)= -0.000636 trlgG= -0.020253 logG= -0.016798 TDE= -0.134788 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003090 tlogG= -0.002578 logG= -0.005668 Density= 0.045897 ETOT(band)= 0.000587 trlgG= -0.005857 logG= -0.005668 TDE= -0.044247 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009411 tlogG= -0.007292 logG= -0.016704 logGD-logG0= -0.003118 tlogG= -0.002527 logG= -0.005645 Density= 0.045630 ETOT(band)= 0.000085 trlgG= -0.006415 logG= -0.005645 TDE= -0.044572 Density= 0.136689 ETOT(band)= -0.000576 trlgG= -0.020116 logG= -0.016704 TDE= -0.134623 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009396 tlogG= -0.007221 logG= -0.016617 Density= 0.136735 ETOT(band)= -0.000185 trlgG= -0.019606 logG= -0.016617 TDE= -0.134245 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009427 tlogG= -0.006584 logG= -0.016012 Density= 0.137952 ETOT(band)= 0.000762 trlgG= -0.018181 logG= -0.016012 TDE= -0.134593 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009654 tlogG= -0.007469 logG= -0.017123 Density= 0.148888 ETOT(band)= 0.010675 trlgG= -0.009737 logG= -0.017123 TDE= -0.135535 logGD-logG0= -0.009340 tlogG= -0.007286 logG= -0.016626 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137388 ETOT(band)= 0.001102 trlgG= -0.018081 logG= -0.016626 TDE= -0.133337 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009687 tlogG= -0.006439 logG= -0.016127 logGD-logG0= -0.004759 tlogG= -0.003059 logG= -0.007818 Density= 0.142453 ETOT(band)= 0.004251 trlgG= -0.014926 logG= -0.016127 TDE= -0.135544 Density= 0.067624 ETOT(band)= -0.001209 trlgG= -0.010445 logG= -0.007818 TDE= -0.067541 logGD-logG0= -0.009521 tlogG= -0.006288 logG= -0.015809 Density= 0.140318 ETOT(band)= 0.003382 trlgG= -0.015229 logG= -0.015809 TDE= -0.134115 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009401 tlogG= -0.006454 logG= -0.015855 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137721 ETOT(band)= 0.001029 trlgG= -0.017704 logG= -0.015855 TDE= -0.134051 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009588 tlogG= -0.006506 logG= -0.016094 Density= 0.143462 ETOT(band)= 0.006712 trlgG= -0.012267 logG= -0.016094 TDE= -0.133886 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009462 tlogG= -0.005544 logG= -0.015007 Density= 0.136921 ETOT(band)= 0.000381 trlgG= -0.017548 logG= -0.015007 TDE= -0.133975 logGD-logG0= -0.009436 tlogG= -0.006550 logG= -0.015986 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137901 ETOT(band)= 0.000792 trlgG= -0.018159 logG= -0.015986 TDE= -0.134549 logGD-logG0= -0.004774 tlogG= -0.002536 logG= -0.007310 Density= 0.065253 ETOT(band)= -0.002818 trlgG= -0.011393 logG= -0.007310 TDE= -0.066722 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009526 tlogG= -0.005942 logG= -0.015468 Density= 0.135936 ETOT(band)= -0.001397 trlgG= -0.019714 logG= -0.015468 TDE= -0.134735 logGD-logG0= -0.009508 tlogG= -0.005554 logG= -0.015062 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.133743 ETOT(band)= -0.003129 trlgG= -0.020974 logG= -0.015062 TDE= -0.134295 logGD-logG0= -0.009420 tlogG= -0.006780 logG= -0.016200 Density= 0.137566 ETOT(band)= 0.000310 trlgG= -0.018836 logG= -0.016200 TDE= -0.134690 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009423 tlogG= -0.006766 logG= -0.016189 Density= 0.138509 ETOT(band)= 0.001692 trlgG= -0.017209 logG= -0.016189 TDE= -0.133978 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018954 tlogG= -0.011970 logG= -0.030925 Density= 0.278355 ETOT(band)= 0.004118 trlgG= -0.032789 logG= -0.030925 TDE= -0.269066 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009375 tlogG= -0.007252 logG= -0.016627 Density= 0.136957 ETOT(band)= 0.000214 trlgG= -0.019132 logG= -0.016627 TDE= -0.133974 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019427 tlogG= -0.012623 logG= -0.032050 Density= 0.284977 ETOT(band)= 0.008068 trlgG= -0.030194 logG= -0.032050 TDE= -0.271702 logGD-logG0= -0.009735 tlogG= -0.006444 logG= -0.016179 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.142959 ETOT(band)= 0.004220 trlgG= -0.015113 logG= -0.016179 TDE= -0.136164 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009497 tlogG= -0.006065 logG= -0.015562 Density= 0.138707 ETOT(band)= 0.001599 trlgG= -0.016810 logG= -0.015562 TDE= -0.134396 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018866 tlogG= -0.012209 logG= -0.031076 Density= 0.279010 ETOT(band)= 0.006508 trlgG= -0.030155 logG= -0.031076 TDE= -0.266909 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019037 tlogG= -0.010697 logG= -0.029734 logGD-logG0= -0.018938 tlogG= -0.011816 logG= -0.030754 Density= 0.278034 ETOT(band)= 0.004098 trlgG= -0.032600 logG= -0.030754 TDE= -0.268738 Density= 0.271523 ETOT(band)= -0.002016 trlgG= -0.037526 logG= -0.029734 TDE= -0.268435 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018831 tlogG= -0.013556 logG= -0.032387 logGD-logG0= -0.018934 tlogG= -0.012117 logG= -0.031051 Density= 0.275292 ETOT(band)= 0.001240 trlgG= -0.036910 logG= -0.032387 TDE= -0.268783 Density= 0.278162 ETOT(band)= 0.004513 trlgG= -0.032317 logG= -0.031051 TDE= -0.268282 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000386 tlogG= 0.008634 logG= 0.008249 logGD-logG0= -0.019057 tlogG= -0.011309 logG= -0.030366 Density= 0.275581 ETOT(band)= 0.001363 trlgG= -0.034751 logG= -0.030366 TDE= -0.268923 logGD-logG0= -0.019185 tlogG= -0.011920 logG= -0.031105 Density= 0.005719 ETOT(band)= 0.000064 trlgG= 0.008209 logG= 0.008249 TDE= -0.005530 Density= 0.281522 ETOT(band)= 0.006913 trlgG= -0.030148 logG= -0.031105 TDE= -0.269284 logGD-logG0= -0.018760 tlogG= -0.013604 logG= -0.032364 Density= 0.275927 ETOT(band)= 0.003035 trlgG= -0.034697 logG= -0.032364 TDE= -0.267203 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019137 tlogG= -0.010028 logG= -0.029165 Density= 0.263562 ETOT(band)= -0.008877 trlgG= -0.043485 logG= -0.029165 TDE= -0.267320 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004851 tlogG= -0.003530 logG= -0.008381 Density= 0.074793 ETOT(band)= 0.005042 trlgG= -0.004975 logG= -0.008381 TDE= -0.068391 logGD-logG0= -0.009535 tlogG= -0.005381 logG= -0.014916 Density= 0.132961 ETOT(band)= -0.003865 trlgG= -0.021498 logG= -0.014916 TDE= -0.134215 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009606 tlogG= -0.004808 logG= -0.014414 Density= 0.130749 ETOT(band)= -0.005455 trlgG= -0.022572 logG= -0.014414 TDE= -0.133668 logGD-logG0= -0.009717 tlogG= -0.007056 logG= -0.016772 Density= 0.147443 ETOT(band)= 0.008955 trlgG= -0.011078 logG= -0.016772 TDE= -0.135840 logGD-logG0= -0.018861 tlogG= -0.011497 logG= -0.030358 Density= 0.276636 ETOT(band)= 0.004018 trlgG= -0.032090 logG= -0.030358 TDE= -0.267284 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009482 tlogG= -0.005865 logG= -0.015347 Density= 0.138142 ETOT(band)= 0.001066 trlgG= -0.017205 logG= -0.015347 TDE= -0.134464 logGD-logG0= -0.019145 tlogG= -0.010318 logG= -0.029463 Density= 0.278234 ETOT(band)= 0.004723 trlgG= -0.030558 logG= -0.029463 TDE= -0.268180 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019077 tlogG= -0.011530 logG= -0.030607 Density= 0.270258 ETOT(band)= -0.004445 trlgG= -0.040761 logG= -0.030607 TDE= -0.269582 logGD-logG0= -0.019291 tlogG= -0.011766 logG= -0.031057 Density= 0.280324 ETOT(band)= 0.004456 trlgG= -0.032655 logG= -0.031057 TDE= -0.270689 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009599 tlogG= -0.005131 logG= -0.014729 Density= 0.140028 ETOT(band)= 0.002975 trlgG= -0.014721 logG= -0.014729 TDE= -0.134409 logGD-logG0= -0.019471 tlogG= -0.012609 logG= -0.032080 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.289327 ETOT(band)= 0.014561 trlgG= -0.023590 logG= -0.032080 TDE= -0.269242 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019125 tlogG= -0.010459 logG= -0.029584 Density= 0.272468 ETOT(band)= -0.001681 trlgG= -0.036884 logG= -0.029584 TDE= -0.268850 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019226 tlogG= -0.011000 logG= -0.030225 Density= 0.278209 ETOT(band)= 0.003728 trlgG= -0.032371 logG= -0.030225 TDE= -0.269206 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009753 tlogG= -0.005900 logG= -0.015653 Density= 0.143819 ETOT(band)= 0.006219 trlgG= -0.012461 logG= -0.015653 TDE= -0.134864 logGD-logG0= -0.009370 tlogG= -0.006745 logG= -0.016114 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.139071 ETOT(band)= 0.002975 trlgG= -0.015740 logG= -0.016114 TDE= -0.133124 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009538 tlogG= -0.005062 logG= -0.014600 Density= 0.136552 ETOT(band)= -0.000342 trlgG= -0.017616 logG= -0.014600 TDE= -0.134096 logGD-logG0= -0.019172 tlogG= -0.009935 logG= -0.029107 Density= 0.266835 ETOT(band)= -0.006482 trlgG= -0.041094 logG= -0.029107 TDE= -0.268130 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009557 tlogG= -0.005199 logG= -0.014756 Density= 0.136995 ETOT(band)= -0.000024 trlgG= -0.017545 logG= -0.014756 TDE= -0.134294 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019082 tlogG= -0.010398 logG= -0.029481 Density= 0.274484 ETOT(band)= 0.001964 trlgG= -0.033240 logG= -0.029481 TDE= -0.267244 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009547 tlogG= -0.005416 logG= -0.014964 logGD-logG0= -0.004777 tlogG= -0.002619 logG= -0.007396 Density= 0.068678 ETOT(band)= 0.000109 trlgG= -0.008717 logG= -0.007396 TDE= -0.067248 Density= 0.135966 ETOT(band)= -0.001212 trlgG= -0.018873 logG= -0.014964 TDE= -0.134427 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002428 tlogG= -0.001848 logG= -0.004275 Density= 0.036911 ETOT(band)= 0.002552 trlgG= -0.002504 logG= -0.004275 TDE= -0.033660 logGD-logG0= -0.002326 tlogG= -0.002327 logG= -0.004653 Density= 0.034891 ETOT(band)= 0.000940 trlgG= -0.004347 logG= -0.004653 TDE= -0.033187 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009296 tlogG= -0.008744 logG= -0.018041 Density= 0.139468 ETOT(band)= 0.003691 trlgG= -0.016767 logG= -0.018041 TDE= -0.132605 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002373 tlogG= -0.001953 logG= -0.004326 Density= 0.035800 ETOT(band)= 0.001755 trlgG= -0.003230 logG= -0.004326 TDE= -0.033269 logGD-logG0= -0.009359 tlogG= -0.008363 logG= -0.017723 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.140898 ETOT(band)= 0.005045 trlgG= -0.015230 logG= -0.017723 TDE= -0.132759 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009392 tlogG= -0.007332 logG= -0.016724 Density= 0.137625 ETOT(band)= 0.001651 trlgG= -0.017589 logG= -0.016724 TDE= -0.132974 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009639 tlogG= -0.007117 logG= -0.016756 Density= 0.144792 ETOT(band)= 0.008278 trlgG= -0.011265 logG= -0.016756 TDE= -0.133500 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009410 tlogG= -0.007260 logG= -0.016670 Density= 0.141025 ETOT(band)= 0.005240 trlgG= -0.014089 logG= -0.016670 TDE= -0.132793 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004665 tlogG= -0.003986 logG= -0.008651 Density= 0.069960 ETOT(band)= 0.002148 trlgG= -0.007737 logG= -0.008651 TDE= -0.066242 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009346 tlogG= -0.007679 logG= -0.017026 Density= 0.138624 ETOT(band)= 0.002897 trlgG= -0.016491 logG= -0.017026 TDE= -0.132535 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009399 tlogG= -0.006814 logG= -0.016213 Density= 0.139407 ETOT(band)= 0.003943 trlgG= -0.014847 logG= -0.016213 TDE= -0.132455 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009562 tlogG= -0.005250 logG= -0.014813 Density= 0.133611 ETOT(band)= -0.002093 trlgG= -0.019659 logG= -0.014813 TDE= -0.133103 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004756 tlogG= -0.002788 logG= -0.007544 Density= 0.068363 ETOT(band)= 0.000727 trlgG= -0.008194 logG= -0.007544 TDE= -0.066273 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009448 tlogG= -0.006279 logG= -0.015727 Density= 0.137494 ETOT(band)= 0.001716 trlgG= -0.016814 logG= -0.015727 TDE= -0.133072 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009454 tlogG= -0.007462 logG= -0.016916 Density= 0.142482 ETOT(band)= 0.006508 trlgG= -0.013064 logG= -0.016916 TDE= -0.132921 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019035 tlogG= -0.013102 logG= -0.032137 Density= 0.284723 ETOT(band)= 0.012669 trlgG= -0.025145 logG= -0.032137 TDE= -0.266322 logGD-logG0= -0.018700 tlogG= -0.015624 logG= -0.034323 Density= 0.280480 ETOT(band)= 0.009093 trlgG= -0.030211 logG= -0.034323 TDE= -0.265128 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009593 tlogG= -0.004947 logG= -0.014540 Density= 0.130585 ETOT(band)= -0.004910 trlgG= -0.022137 logG= -0.014540 TDE= -0.132949 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009328 tlogG= -0.007907 logG= -0.017235 Density= 0.138886 ETOT(band)= 0.003271 trlgG= -0.016374 logG= -0.017235 TDE= -0.132460 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009620 tlogG= -0.005626 logG= -0.015247 Density= 0.141455 ETOT(band)= 0.005365 trlgG= -0.012885 logG= -0.015247 TDE= -0.133425 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018809 tlogG= -0.013836 logG= -0.032645 Density= 0.277673 ETOT(band)= 0.006283 trlgG= -0.031428 logG= -0.032645 TDE= -0.265328 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018974 tlogG= -0.011554 logG= -0.030528 Density= 0.277064 ETOT(band)= 0.005938 trlgG= -0.030229 logG= -0.030528 TDE= -0.265662 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009763 tlogG= -0.006643 logG= -0.016406 Density= 0.145612 ETOT(band)= 0.008679 trlgG= -0.010823 logG= -0.016406 TDE= -0.134195 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009434 tlogG= -0.006599 logG= -0.016033 Density= 0.140856 ETOT(band)= 0.005321 trlgG= -0.013481 logG= -0.016033 TDE= -0.132659 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009295 tlogG= -0.008975 logG= -0.018270 Density= 0.139663 ETOT(band)= 0.003882 trlgG= -0.016872 logG= -0.018270 TDE= -0.132668 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003118 tlogG= 0.069884 logG= 0.066766 Density= 0.046293 ETOT(band)= 0.001058 trlgG= 0.067027 logG= 0.066766 TDE= -0.044177 logGD-logG0= -0.003089 tlogG= 0.069202 logG= 0.066113 Density= 0.045873 ETOT(band)= 0.000639 trlgG= 0.065912 logG= 0.066113 TDE= -0.044236 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003099 tlogG= 0.069486 logG= 0.066387 Density= 0.046222 ETOT(band)= 0.000958 trlgG= 0.066532 logG= 0.066387 TDE= -0.044225 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009292 tlogG= 0.208476 logG= 0.199184 Density= 0.138641 ETOT(band)= 0.002909 trlgG= 0.199571 logG= 0.199184 TDE= -0.132697 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004638 tlogG= 0.104056 logG= 0.099417 Density= 0.069176 ETOT(band)= 0.001287 trlgG= 0.099470 logG= 0.099417 TDE= -0.066351 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009328 tlogG= 0.209176 logG= 0.199848 Density= 0.139140 ETOT(band)= 0.003431 trlgG= 0.200795 logG= 0.199848 TDE= -0.132617 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002317 tlogG= 0.051921 logG= 0.049604 Density= 0.034467 ETOT(band)= 0.000528 trlgG= 0.049510 logG= 0.049604 TDE= -0.033180 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.49057140872281 eV TrLogG= -13.7243635264097 eV Ratio to renormalize= 0.999999999714 rho-rho_expected= 0.000000004583 nargs= 1 argi=dmft2.def 13) Finished k-point number 14 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 9) Finished k-point number 10 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 25) Finished k-point number 26 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 35) Finished k-point number 36 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 41) Finished k-point number 42 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 84) Finished k-point number 85 1 with #bands= 20 91) Finished k-point number 92 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 96) Finished k-point number 97 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931415439444090 0.928032244257930 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 9) Finished k-point number 10 1 with #bands= 26 53) Finished k-point number 54 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 24) Finished k-point number 25 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 100) Finished k-point number 101 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 94) Finished k-point number 95 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0604809925688 Density= 16.0021729188670 16.0000000000000 EF 12.7883671604553 Density= 15.3586748076015 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95992773 0.93992773 0.217292E-02 -0.641325 1 0.95986020 0.93992773 0.333160E-03 -0.641325 2 0.95984798 0.95986020 -0.327305E-07 0.333160E-03 3 0.95984798 0.95984798 0.310507E-11 -0.327305E-07 Absolute convergence of |F(X)|. Difference in EF= -0.0010851466 EF set to : 13.0593958459 new EF (no-mixing): 13.0593958459 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001204 tlogG= -0.001236 logG= -0.002441 Density= 0.018988 ETOT(band)= 0.001241 trlgG= -0.001603 logG= -0.002441 TDE= -0.017387 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009611 tlogG= -0.009429 logG= -0.019040 Density= 0.151801 ETOT(band)= 0.010189 trlgG= -0.012085 logG= -0.019040 TDE= -0.138751 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002401 tlogG= -0.002378 logG= -0.004779 Density= 0.037926 ETOT(band)= 0.002578 trlgG= -0.003013 logG= -0.004779 TDE= -0.034637 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004801 tlogG= -0.004567 logG= -0.009369 Density= 0.075876 ETOT(band)= 0.005176 trlgG= -0.005811 logG= -0.009369 TDE= -0.069272 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002405 tlogG= -0.002055 logG= -0.004460 Density= 0.037464 ETOT(band)= 0.002600 trlgG= -0.002717 logG= -0.004460 TDE= -0.034217 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001571 tlogG= -0.001303 logG= -0.002874 Density= 0.022787 ETOT(band)= -0.000163 trlgG= -0.003481 logG= -0.002874 TDE= -0.022479 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009637 tlogG= -0.007965 logG= -0.017602 Density= 0.150662 ETOT(band)= 0.010568 trlgG= -0.010386 logG= -0.017602 TDE= -0.137397 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009640 tlogG= -0.008570 logG= -0.018210 Density= 0.150879 ETOT(band)= 0.010665 trlgG= -0.010916 logG= -0.018210 TDE= -0.137526 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004821 tlogG= -0.004146 logG= -0.008967 logGD-logG0= -0.009661 tlogG= -0.006595 logG= -0.016256 Density= 0.143641 ETOT(band)= 0.004738 trlgG= -0.014687 logG= -0.016256 TDE= -0.136304 Density= 0.075540 ETOT(band)= 0.005215 trlgG= -0.005436 logG= -0.008967 TDE= -0.068976 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009612 tlogG= -0.007706 logG= -0.017318 Density= 0.149995 ETOT(band)= 0.010950 trlgG= -0.009684 logG= -0.017318 TDE= -0.136339 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009651 tlogG= -0.008703 logG= -0.018354 Density= 0.151332 ETOT(band)= 0.010662 trlgG= -0.011020 logG= -0.018354 TDE= -0.137922 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019272 tlogG= -0.015705 logG= -0.034977 logGD-logG0= -0.019250 tlogG= -0.014588 logG= -0.033839 Density= 0.299312 ETOT(band)= 0.020964 trlgG= -0.019377 logG= -0.033839 TDE= -0.272833 Density= 0.301496 ETOT(band)= 0.021078 trlgG= -0.020609 logG= -0.034977 TDE= -0.275023 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009651 tlogG= -0.006546 logG= -0.016197 Density= 0.147158 ETOT(band)= 0.008301 trlgG= -0.011132 logG= -0.016197 TDE= -0.136184 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003136 tlogG= -0.002502 logG= -0.005638 Density= 0.045404 ETOT(band)= -0.000320 trlgG= -0.006887 logG= -0.005638 TDE= -0.044830 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003090 tlogG= -0.002578 logG= -0.005668 Density= 0.045898 ETOT(band)= 0.000585 trlgG= -0.005860 logG= -0.005668 TDE= -0.044247 logGD-logG0= -0.003118 tlogG= -0.002528 logG= -0.005645 Density= 0.045631 ETOT(band)= 0.000083 trlgG= -0.006418 logG= -0.005645 TDE= -0.044571 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009419 tlogG= -0.007380 logG= -0.016800 Density= 0.136818 ETOT(band)= -0.000643 trlgG= -0.020261 logG= -0.016800 TDE= -0.134786 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009411 tlogG= -0.007294 logG= -0.016705 Density= 0.136693 ETOT(band)= -0.000583 trlgG= -0.020122 logG= -0.016705 TDE= -0.134622 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009396 tlogG= -0.007219 logG= -0.016615 Density= 0.136739 ETOT(band)= -0.000191 trlgG= -0.019610 logG= -0.016615 TDE= -0.134243 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009428 tlogG= -0.006585 logG= -0.016013 Density= 0.137955 ETOT(band)= 0.000755 trlgG= -0.018188 logG= -0.016013 TDE= -0.134591 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009655 tlogG= -0.007469 logG= -0.017123 Density= 0.148899 ETOT(band)= 0.010675 trlgG= -0.009736 logG= -0.017123 TDE= -0.135533 logGD-logG0= -0.009686 tlogG= -0.006440 logG= -0.016127 Density= 0.142445 ETOT(band)= 0.004233 trlgG= -0.014943 logG= -0.016127 TDE= -0.135542 logGD-logG0= -0.009717 tlogG= -0.007055 logG= -0.016771 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.147445 ETOT(band)= 0.008947 trlgG= -0.011084 logG= -0.016771 TDE= -0.135837 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009340 tlogG= -0.007285 logG= -0.016625 Density= 0.137392 ETOT(band)= 0.001095 trlgG= -0.018086 logG= -0.016625 TDE= -0.133336 logGD-logG0= -0.009400 tlogG= -0.006453 logG= -0.015852 Density= 0.137725 ETOT(band)= 0.001020 trlgG= -0.017707 logG= -0.015852 TDE= -0.134049 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009520 tlogG= -0.006288 logG= -0.015808 Density= 0.140317 ETOT(band)= 0.003370 trlgG= -0.015238 logG= -0.015808 TDE= -0.134113 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009481 tlogG= -0.005866 logG= -0.015348 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138143 ETOT(band)= 0.001057 trlgG= -0.017213 logG= -0.015348 TDE= -0.134462 logGD-logG0= -0.009436 tlogG= -0.006552 logG= -0.015988 Density= 0.137902 ETOT(band)= 0.000783 trlgG= -0.018169 logG= -0.015988 TDE= -0.134547 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009376 tlogG= -0.007251 logG= -0.016626 Density= 0.136961 ETOT(band)= 0.000207 trlgG= -0.019137 logG= -0.016626 TDE= -0.133972 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004759 tlogG= -0.003061 logG= -0.007820 logGD-logG0= -0.009588 tlogG= -0.006506 logG= -0.016093 Density= 0.067629 ETOT(band)= -0.001209 trlgG= -0.010447 logG= -0.007820 TDE= -0.067541 Density= 0.143460 ETOT(band)= 0.006700 trlgG= -0.012277 logG= -0.016093 TDE= -0.133884 logGD-logG0= -0.009423 tlogG= -0.006768 logG= -0.016190 Density= 0.138509 ETOT(band)= 0.001682 trlgG= -0.017218 logG= -0.016190 TDE= -0.133976 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004774 tlogG= -0.002537 logG= -0.007310 logGD-logG0= -0.009370 tlogG= -0.006745 logG= -0.016115 logGD-logG0= -0.009508 tlogG= -0.005554 logG= -0.015062 Density= 0.065253 ETOT(band)= -0.002824 trlgG= -0.011398 logG= -0.007310 TDE= -0.066721 Density= 0.139073 ETOT(band)= 0.002965 trlgG= -0.015748 logG= -0.016115 TDE= -0.133122 Density= 0.133751 ETOT(band)= -0.003130 trlgG= -0.020974 logG= -0.015062 TDE= -0.134293 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009497 tlogG= -0.006066 logG= -0.015563 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138706 ETOT(band)= 0.001587 trlgG= -0.016821 logG= -0.015563 TDE= -0.134394 logGD-logG0= -0.009525 tlogG= -0.005943 logG= -0.015468 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.135939 ETOT(band)= -0.001405 trlgG= -0.019721 logG= -0.015468 TDE= -0.134733 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009420 tlogG= -0.006780 logG= -0.016200 Density= 0.137569 ETOT(band)= 0.000303 trlgG= -0.018843 logG= -0.016200 TDE= -0.134688 logGD-logG0= -0.009462 tlogG= -0.005543 logG= -0.015005 Density= 0.136919 ETOT(band)= 0.000369 trlgG= -0.017557 logG= -0.015005 TDE= -0.133973 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009735 tlogG= -0.006444 logG= -0.016178 logGD-logG0= -0.018933 tlogG= -0.011818 logG= -0.030750 Density= 0.142951 ETOT(band)= 0.004202 trlgG= -0.015129 logG= -0.016178 TDE= -0.136162 Density= 0.278027 ETOT(band)= 0.004067 trlgG= -0.032621 logG= -0.030750 TDE= -0.268734 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019426 tlogG= -0.012624 logG= -0.032050 Density= 0.284965 ETOT(band)= 0.008037 trlgG= -0.030223 logG= -0.032050 TDE= -0.271697 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019186 tlogG= -0.011924 logG= -0.031110 Density= 0.281517 ETOT(band)= 0.006889 trlgG= -0.030175 logG= -0.031110 TDE= -0.269279 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018954 tlogG= -0.011969 logG= -0.030923 Density= 0.278356 ETOT(band)= 0.004098 trlgG= -0.032806 logG= -0.030923 TDE= -0.269062 logGD-logG0= -0.019037 tlogG= -0.010698 logG= -0.029735 Density= 0.271509 ETOT(band)= -0.002050 trlgG= -0.037559 logG= -0.029735 TDE= -0.268431 logGD-logG0= -0.019136 tlogG= -0.010029 logG= -0.029165 Density= 0.263551 ETOT(band)= -0.008908 trlgG= -0.043513 logG= -0.029165 TDE= -0.267317 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004851 tlogG= -0.003530 logG= -0.008381 Density= 0.074796 ETOT(band)= 0.005040 trlgG= -0.004977 logG= -0.008381 TDE= -0.068389 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018934 tlogG= -0.012118 logG= -0.031053 logGD-logG0= -0.018829 tlogG= -0.013563 logG= -0.032392 logGD-logG0= -0.018866 tlogG= -0.012208 logG= -0.031074 Density= 0.279018 ETOT(band)= 0.006495 trlgG= -0.030164 logG= -0.031074 TDE= -0.266905 Density= 0.278165 ETOT(band)= 0.004495 trlgG= -0.032334 logG= -0.031053 TDE= -0.268278 Density= 0.275297 ETOT(band)= 0.001220 trlgG= -0.036928 logG= -0.032392 TDE= -0.268780 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000386 tlogG= 0.008634 logG= 0.008248 logGD-logG0= -0.019057 tlogG= -0.011310 logG= -0.030366 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.275577 ETOT(band)= 0.001339 trlgG= -0.034773 logG= -0.030366 TDE= -0.268919 Density= 0.005720 ETOT(band)= 0.000064 trlgG= 0.008208 logG= 0.008248 TDE= -0.005530 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.018761 tlogG= -0.013614 logG= -0.032375 Density= 0.275930 ETOT(band)= 0.003016 trlgG= -0.034724 logG= -0.032375 TDE= -0.267200 logGD-logG0= -0.018860 tlogG= -0.011499 logG= -0.030359 Density= 0.276639 ETOT(band)= 0.003999 trlgG= -0.032108 logG= -0.030359 TDE= -0.267280 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019471 tlogG= -0.012608 logG= -0.032079 Density= 0.289320 ETOT(band)= 0.014534 trlgG= -0.023614 logG= -0.032079 TDE= -0.269237 logGD-logG0= -0.009606 tlogG= -0.004810 logG= -0.014415 Density= 0.130742 ETOT(band)= -0.005471 trlgG= -0.022589 logG= -0.014415 TDE= -0.133666 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019145 tlogG= -0.010319 logG= -0.029464 Density= 0.278221 ETOT(band)= 0.004691 trlgG= -0.030590 logG= -0.029464 TDE= -0.268176 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019078 tlogG= -0.011536 logG= -0.030614 Density= 0.270277 ETOT(band)= -0.004446 trlgG= -0.040767 logG= -0.030614 TDE= -0.269579 logGD-logG0= -0.019083 tlogG= -0.010395 logG= -0.029479 Density= 0.274434 ETOT(band)= 0.001896 trlgG= -0.033303 logG= -0.029479 TDE= -0.267239 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019173 tlogG= -0.009934 logG= -0.029107 Density= 0.266816 ETOT(band)= -0.006520 trlgG= -0.041130 logG= -0.029107 TDE= -0.268126 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009535 tlogG= -0.005378 logG= -0.014913 logGD-logG0= -0.009598 tlogG= -0.005130 logG= -0.014728 Density= 0.140019 ETOT(band)= 0.002955 trlgG= -0.014737 logG= -0.014728 TDE= -0.134406 Density= 0.132963 ETOT(band)= -0.003874 trlgG= -0.021502 logG= -0.014913 TDE= -0.134214 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019225 tlogG= -0.011002 logG= -0.030226 Density= 0.278203 ETOT(band)= 0.003702 trlgG= -0.032396 logG= -0.030226 TDE= -0.269202 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009753 tlogG= -0.005899 logG= -0.015652 Density= 0.143817 ETOT(band)= 0.006207 trlgG= -0.012472 logG= -0.015652 TDE= -0.134862 logGD-logG0= -0.019124 tlogG= -0.010459 logG= -0.029583 Density= 0.272457 ETOT(band)= -0.001714 trlgG= -0.036912 logG= -0.029583 TDE= -0.268846 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019290 tlogG= -0.011766 logG= -0.031056 Density= 0.280315 ETOT(band)= 0.004426 trlgG= -0.032681 logG= -0.031056 TDE= -0.270684 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009538 tlogG= -0.005063 logG= -0.014602 Density= 0.136551 ETOT(band)= -0.000353 trlgG= -0.017628 logG= -0.014602 TDE= -0.134094 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009557 tlogG= -0.005200 logG= -0.014757 Density= 0.136994 ETOT(band)= -0.000035 trlgG= -0.017555 logG= -0.014757 TDE= -0.134292 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009547 tlogG= -0.005417 logG= -0.014965 Density= 0.135967 ETOT(band)= -0.001221 trlgG= -0.018882 logG= -0.014965 TDE= -0.134426 logGD-logG0= -0.004777 tlogG= -0.002619 logG= -0.007396 Density= 0.068679 ETOT(band)= 0.000104 trlgG= -0.008721 logG= -0.007396 TDE= -0.067247 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002428 tlogG= -0.001848 logG= -0.004275 Density= 0.036912 ETOT(band)= 0.002551 trlgG= -0.002506 logG= -0.004275 TDE= -0.033660 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009297 tlogG= -0.008745 logG= -0.018042 Density= 0.139470 ETOT(band)= 0.003683 trlgG= -0.016775 logG= -0.018042 TDE= -0.132603 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002326 tlogG= -0.002327 logG= -0.004653 Density= 0.034891 ETOT(band)= 0.000938 trlgG= -0.004349 logG= -0.004653 TDE= -0.033186 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009347 tlogG= -0.007680 logG= -0.017027 Density= 0.138626 ETOT(band)= 0.002888 trlgG= -0.016500 logG= -0.017027 TDE= -0.132533 logGD-logG0= -0.002373 tlogG= -0.001953 logG= -0.004326 Density= 0.035800 ETOT(band)= 0.001752 trlgG= -0.003232 logG= -0.004326 TDE= -0.033268 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009392 tlogG= -0.007330 logG= -0.016723 Density= 0.137628 ETOT(band)= 0.001644 trlgG= -0.017593 logG= -0.016723 TDE= -0.132973 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009360 tlogG= -0.008364 logG= -0.017724 Density= 0.140897 ETOT(band)= 0.005035 trlgG= -0.015241 logG= -0.017724 TDE= -0.132757 logGD-logG0= -0.009639 tlogG= -0.007118 logG= -0.016757 Density= 0.144789 ETOT(band)= 0.008264 trlgG= -0.011279 logG= -0.016757 TDE= -0.133497 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009328 tlogG= -0.007908 logG= -0.017237 Density= 0.138888 ETOT(band)= 0.003263 trlgG= -0.016384 logG= -0.017237 TDE= -0.132459 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004665 tlogG= -0.003986 logG= -0.008651 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.069960 ETOT(band)= 0.002143 trlgG= -0.007741 logG= -0.008651 TDE= -0.066242 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009410 tlogG= -0.007259 logG= -0.016669 Density= 0.141025 ETOT(band)= 0.005230 trlgG= -0.014097 logG= -0.016669 TDE= -0.132791 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009399 tlogG= -0.006818 logG= -0.016216 Density= 0.139406 ETOT(band)= 0.003931 trlgG= -0.014861 logG= -0.016216 TDE= -0.132454 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009449 tlogG= -0.006281 logG= -0.015730 Density= 0.137498 ETOT(band)= 0.001709 trlgG= -0.016823 logG= -0.015730 TDE= -0.133070 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009563 tlogG= -0.005252 logG= -0.014815 Density= 0.133610 ETOT(band)= -0.002104 trlgG= -0.019672 logG= -0.014815 TDE= -0.133102 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004756 tlogG= -0.002788 logG= -0.007544 Density= 0.068368 ETOT(band)= 0.000727 trlgG= -0.008193 logG= -0.007544 TDE= -0.066272 logGD-logG0= -0.018700 tlogG= -0.015624 logG= -0.034324 Density= 0.280482 ETOT(band)= 0.009074 trlgG= -0.030228 logG= -0.034324 TDE= -0.265125 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009595 tlogG= -0.004950 logG= -0.014544 Density= 0.130582 ETOT(band)= -0.004921 trlgG= -0.022153 logG= -0.014544 TDE= -0.132948 logGD-logG0= -0.009763 tlogG= -0.006642 logG= -0.016405 Density= 0.145613 ETOT(band)= 0.008670 trlgG= -0.010831 logG= -0.016405 TDE= -0.134192 logGD-logG0= -0.009295 tlogG= -0.008975 logG= -0.018270 Density= 0.139664 ETOT(band)= 0.003873 trlgG= -0.016880 logG= -0.018270 TDE= -0.132666 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019034 tlogG= -0.013102 logG= -0.032136 Density= 0.284718 ETOT(band)= 0.012643 trlgG= -0.025167 logG= -0.032136 TDE= -0.266317 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009454 tlogG= -0.007462 logG= -0.016916 Density= 0.142481 ETOT(band)= 0.006497 trlgG= -0.013075 logG= -0.016916 TDE= -0.132919 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018972 tlogG= -0.011554 logG= -0.030526 Density= 0.277059 ETOT(band)= 0.005912 trlgG= -0.030250 logG= -0.030526 TDE= -0.265658 logGD-logG0= -0.009620 tlogG= -0.005626 logG= -0.015246 Density= 0.141450 ETOT(band)= 0.005350 trlgG= -0.012898 logG= -0.015246 TDE= -0.133423 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018809 tlogG= -0.013834 logG= -0.032643 Density= 0.277677 ETOT(band)= 0.006265 trlgG= -0.031441 logG= -0.032643 TDE= -0.265325 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009434 tlogG= -0.006599 logG= -0.016032 Density= 0.140856 ETOT(band)= 0.005310 trlgG= -0.013489 logG= -0.016032 TDE= -0.132658 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003099 tlogG= 0.069480 logG= 0.066381 Density= 0.046223 ETOT(band)= 0.000955 trlgG= 0.066523 logG= 0.066381 TDE= -0.044224 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003089 tlogG= 0.069196 logG= 0.066107 logGD-logG0= -0.003118 tlogG= 0.069878 logG= 0.066759 Density= 0.045874 ETOT(band)= 0.000636 trlgG= 0.065904 logG= 0.066107 TDE= -0.044235 Density= 0.046294 ETOT(band)= 0.001055 trlgG= 0.067017 logG= 0.066759 TDE= -0.044177 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002317 tlogG= 0.051916 logG= 0.049599 Density= 0.034468 ETOT(band)= 0.000527 trlgG= 0.049503 logG= 0.049599 TDE= -0.033180 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004638 tlogG= 0.104046 logG= 0.099408 Density= 0.069177 ETOT(band)= 0.001283 trlgG= 0.099457 logG= 0.099408 TDE= -0.066351 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009328 tlogG= 0.209157 logG= 0.199829 Density= 0.139142 ETOT(band)= 0.003423 trlgG= 0.200769 logG= 0.199829 TDE= -0.132616 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009292 tlogG= 0.208457 logG= 0.199165 Density= 0.138643 ETOT(band)= 0.002901 trlgG= 0.199546 logG= 0.199165 TDE= -0.132696 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.47439636054767 eV TrLogG= -13.7398977592967 eV Ratio to renormalize= 0.999999999714 rho-rho_expected= 0.000000004580 nargs= 1 argi=dmft2.def 13) Finished k-point number 14 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 25) Finished k-point number 26 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 30) Finished k-point number 31 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 67) Finished k-point number 68 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 78) Finished k-point number 79 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 69) Finished k-point number 70 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 76) Finished k-point number 77 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 72) Finished k-point number 73 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 94) Finished k-point number 95 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 40) Finished k-point number 41 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 98) Finished k-point number 99 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931404820909965 0.928004515937816 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 24) Finished k-point number 25 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 1) Finished k-point number 2 1 with #bands= 26 97) Finished k-point number 98 1 with #bands= 20 8) Finished k-point number 9 1 with #bands= 26 84) Finished k-point number 85 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 31) Finished k-point number 32 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0593958459222 Density= 16.0016694717628 16.0000000000000 EF 12.7872820138086 Density= 15.3604425976894 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.95984798 0.93984798 0.166947E-02 -0.639557 1 0.95979591 0.93984798 0.235335E-03 -0.639557 2 0.95978736 0.95979591 -0.124548E-07 0.235335E-03 3 0.95978736 0.95978736 0.746070E-12 -0.124548E-07 Absolute convergence of |F(X)|. Difference in EF= -0.0008246712 EF set to : 13.0585711747 new EF (no-mixing): 13.0585711747 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001208 tlogG= -0.001236 logG= -0.002444 Density= 0.018980 ETOT(band)= 0.001235 trlgG= -0.001614 logG= -0.002444 TDE= -0.017387 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002409 tlogG= -0.002377 logG= -0.004786 logGD-logG0= -0.009641 tlogG= -0.009426 logG= -0.019067 Density= 0.151730 ETOT(band)= 0.010130 trlgG= -0.012183 logG= -0.019067 TDE= -0.138744 Density= 0.037907 ETOT(band)= 0.002562 trlgG= -0.003039 logG= -0.004786 TDE= -0.034635 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004817 tlogG= -0.004566 logG= -0.009382 Density= 0.075838 ETOT(band)= 0.005144 trlgG= -0.005863 logG= -0.009382 TDE= -0.069269 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002413 tlogG= -0.002054 logG= -0.004468 Density= 0.037430 ETOT(band)= 0.002569 trlgG= -0.002758 logG= -0.004468 TDE= -0.034215 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001576 tlogG= -0.001303 logG= -0.002879 Density= 0.022788 ETOT(band)= -0.000160 trlgG= -0.003486 logG= -0.002879 TDE= -0.022478 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009668 tlogG= -0.007962 logG= -0.017630 Density= 0.150534 ETOT(band)= 0.010452 trlgG= -0.010540 logG= -0.017630 TDE= -0.137391 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009672 tlogG= -0.008567 logG= -0.018239 Density= 0.150755 ETOT(band)= 0.010552 trlgG= -0.011066 logG= -0.018239 TDE= -0.137520 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004836 tlogG= -0.004143 logG= -0.008980 Density= 0.075481 ETOT(band)= 0.005162 trlgG= -0.005507 logG= -0.008980 TDE= -0.068973 logGD-logG0= -0.009692 tlogG= -0.006592 logG= -0.016284 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.143818 ETOT(band)= 0.004928 trlgG= -0.014547 logG= -0.016284 TDE= -0.136298 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009683 tlogG= -0.008700 logG= -0.018382 Density= 0.151228 ETOT(band)= 0.010569 trlgG= -0.011152 logG= -0.018382 TDE= -0.137916 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009644 tlogG= -0.007703 logG= -0.017347 Density= 0.149869 ETOT(band)= 0.010835 trlgG= -0.009837 logG= -0.017347 TDE= -0.136332 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019335 tlogG= -0.015699 logG= -0.035034 Density= 0.301232 ETOT(band)= 0.020836 trlgG= -0.020925 logG= -0.035034 TDE= -0.275010 logGD-logG0= -0.019315 tlogG= -0.014583 logG= -0.033898 Density= 0.299097 ETOT(band)= 0.020773 trlgG= -0.019648 logG= -0.033898 TDE= -0.272819 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009684 tlogG= -0.006543 logG= -0.016227 Density= 0.147177 ETOT(band)= 0.008334 trlgG= -0.011145 logG= -0.016227 TDE= -0.136177 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003146 tlogG= -0.002501 logG= -0.005647 Density= 0.045399 ETOT(band)= -0.000320 trlgG= -0.006902 logG= -0.005647 TDE= -0.044828 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003100 tlogG= -0.002577 logG= -0.005677 Density= 0.045913 ETOT(band)= 0.000605 trlgG= -0.005855 logG= -0.005677 TDE= -0.044244 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003128 tlogG= -0.002526 logG= -0.005654 Density= 0.045638 ETOT(band)= 0.000094 trlgG= -0.006421 logG= -0.005654 TDE= -0.044569 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009441 tlogG= -0.007290 logG= -0.016732 logGD-logG0= -0.009426 tlogG= -0.007219 logG= -0.016645 Density= 0.136680 ETOT(band)= -0.000581 trlgG= -0.020163 logG= -0.016732 TDE= -0.134615 logGD-logG0= -0.009448 tlogG= -0.007377 logG= -0.016825 Density= 0.136809 ETOT(band)= -0.000638 trlgG= -0.020297 logG= -0.016825 TDE= -0.134779 Density= 0.136732 ETOT(band)= -0.000185 trlgG= -0.019648 logG= -0.016645 TDE= -0.134237 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009457 tlogG= -0.006581 logG= -0.016038 Density= 0.137932 ETOT(band)= 0.000747 trlgG= -0.018238 logG= -0.016038 TDE= -0.134584 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009370 tlogG= -0.007284 logG= -0.016654 Density= 0.137416 ETOT(band)= 0.001134 trlgG= -0.018093 logG= -0.016654 TDE= -0.133329 logGD-logG0= -0.009749 tlogG= -0.007053 logG= -0.016803 Density= 0.147523 ETOT(band)= 0.009040 trlgG= -0.011043 logG= -0.016803 TDE= -0.135831 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009551 tlogG= -0.006285 logG= -0.015835 Density= 0.140306 ETOT(band)= 0.003375 trlgG= -0.015278 logG= -0.015835 TDE= -0.134106 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009430 tlogG= -0.006450 logG= -0.015880 Density= 0.137702 ETOT(band)= 0.001012 trlgG= -0.017758 logG= -0.015880 TDE= -0.134043 logGD-logG0= -0.009465 tlogG= -0.006548 logG= -0.016013 Density= 0.137879 ETOT(band)= 0.000775 trlgG= -0.018218 logG= -0.016013 TDE= -0.134540 logGD-logG0= -0.009511 tlogG= -0.005864 logG= -0.015375 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138092 ETOT(band)= 0.001022 trlgG= -0.017291 logG= -0.015375 TDE= -0.134456 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009716 tlogG= -0.006438 logG= -0.016154 Density= 0.142530 ETOT(band)= 0.004333 trlgG= -0.014891 logG= -0.016154 TDE= -0.135535 logGD-logG0= -0.009687 tlogG= -0.007466 logG= -0.017153 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.148878 ETOT(band)= 0.010668 trlgG= -0.009788 logG= -0.017153 TDE= -0.135526 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004775 tlogG= -0.003060 logG= -0.007835 Density= 0.067594 ETOT(band)= -0.001237 trlgG= -0.010496 logG= -0.007835 TDE= -0.067538 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009406 tlogG= -0.007251 logG= -0.016656 Density= 0.136967 ETOT(band)= 0.000227 trlgG= -0.019163 logG= -0.016656 TDE= -0.133966 logGD-logG0= -0.009400 tlogG= -0.006744 logG= -0.016144 Density= 0.139093 ETOT(band)= 0.003000 trlgG= -0.015758 logG= -0.016144 TDE= -0.133114 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009540 tlogG= -0.005553 logG= -0.015093 logGD-logG0= -0.004789 tlogG= -0.002534 logG= -0.007324 Density= 0.065374 ETOT(band)= -0.002694 trlgG= -0.011296 logG= -0.007324 TDE= -0.066718 Density= 0.133725 ETOT(band)= -0.003143 trlgG= -0.021033 logG= -0.015093 TDE= -0.134288 logGD-logG0= -0.009453 tlogG= -0.006766 logG= -0.016219 Density= 0.138524 ETOT(band)= 0.001712 trlgG= -0.017234 logG= -0.016219 TDE= -0.133969 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009616 tlogG= -0.006505 logG= -0.016122 Density= 0.143529 ETOT(band)= 0.006785 trlgG= -0.012242 logG= -0.016122 TDE= -0.133877 logGD-logG0= -0.009557 tlogG= -0.005940 logG= -0.015497 Density= 0.135866 ETOT(band)= -0.001465 trlgG= -0.019822 logG= -0.015497 TDE= -0.134728 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009494 tlogG= -0.005544 logG= -0.015038 Density= 0.136833 ETOT(band)= 0.000299 trlgG= -0.017674 logG= -0.015038 TDE= -0.133966 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009450 tlogG= -0.006779 logG= -0.016229 Density= 0.137546 ETOT(band)= 0.000295 trlgG= -0.018895 logG= -0.016229 TDE= -0.134681 logGD-logG0= -0.009527 tlogG= -0.006064 logG= -0.015591 Density= 0.138685 ETOT(band)= 0.001582 trlgG= -0.016871 logG= -0.015591 TDE= -0.134388 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019011 tlogG= -0.011967 logG= -0.030978 Density= 0.278273 ETOT(band)= 0.004048 trlgG= -0.032943 logG= -0.030978 TDE= -0.269048 logGD-logG0= -0.019486 tlogG= -0.012619 logG= -0.032105 Density= 0.285193 ETOT(band)= 0.008292 trlgG= -0.030065 logG= -0.032105 TDE= -0.271684 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019101 tlogG= -0.010691 logG= -0.029791 Density= 0.271338 ETOT(band)= -0.002190 trlgG= -0.037783 logG= -0.029791 TDE= -0.268418 logGD-logG0= -0.018994 tlogG= -0.011818 logG= -0.030812 Density= 0.277923 ETOT(band)= 0.003997 trlgG= -0.032786 logG= -0.030812 TDE= -0.268721 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018890 tlogG= -0.013556 logG= -0.032446 logGD-logG0= -0.019117 tlogG= -0.011307 logG= -0.030424 Density= 0.275271 ETOT(band)= 0.001227 trlgG= -0.037011 logG= -0.032446 TDE= -0.268766 Density= 0.275421 ETOT(band)= 0.001213 trlgG= -0.034983 logG= -0.030424 TDE= -0.268905 logGD-logG0= -0.009765 tlogG= -0.006442 logG= -0.016207 Density= 0.143104 ETOT(band)= 0.004368 trlgG= -0.015013 logG= -0.016207 TDE= -0.136155 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004867 tlogG= -0.003528 logG= -0.008396 Density= 0.074746 ETOT(band)= 0.004995 trlgG= -0.005042 logG= -0.008396 TDE= -0.068386 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019198 tlogG= -0.010025 logG= -0.029223 logGD-logG0= -0.018992 tlogG= -0.012114 logG= -0.031107 Density= 0.264045 ETOT(band)= -0.008382 trlgG= -0.043099 logG= -0.029223 TDE= -0.267303 Density= 0.278109 ETOT(band)= 0.004470 trlgG= -0.032445 logG= -0.031107 TDE= -0.268264 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018926 tlogG= -0.012208 logG= -0.031134 Density= 0.278963 ETOT(band)= 0.006470 trlgG= -0.030278 logG= -0.031134 TDE= -0.266889 logGD-logG0= -0.019245 tlogG= -0.011918 logG= -0.031163 Density= 0.281455 ETOT(band)= 0.006858 trlgG= -0.030292 logG= -0.031163 TDE= -0.269266 logGD-logG0= -0.018921 tlogG= -0.011495 logG= -0.030416 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.276495 ETOT(band)= 0.003886 trlgG= -0.032306 logG= -0.030416 TDE= -0.267266 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009637 tlogG= -0.004811 logG= -0.014447 Density= 0.130973 ETOT(band)= -0.005227 trlgG= -0.022399 logG= -0.014447 TDE= -0.133658 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000387 tlogG= 0.008633 logG= 0.008246 Density= 0.005721 ETOT(band)= 0.000066 trlgG= 0.008207 logG= 0.008246 TDE= -0.005529 logGD-logG0= -0.019533 tlogG= -0.012605 logG= -0.032137 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.009567 tlogG= -0.005379 logG= -0.014946 Density= 0.289597 ETOT(band)= 0.014844 trlgG= -0.023409 logG= -0.032137 TDE= -0.269224 Density= 0.133008 ETOT(band)= -0.003815 trlgG= -0.021494 logG= -0.014946 TDE= -0.134208 logGD-logG0= -0.018821 tlogG= -0.013606 logG= -0.032427 Density= 0.275954 ETOT(band)= 0.003069 trlgG= -0.034756 logG= -0.032427 TDE= -0.267186 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019207 tlogG= -0.010315 logG= -0.029521 Density= 0.277953 ETOT(band)= 0.004463 trlgG= -0.030908 logG= -0.029521 TDE= -0.268162 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019139 tlogG= -0.011527 logG= -0.030666 Density= 0.270101 ETOT(band)= -0.004598 trlgG= -0.040994 logG= -0.030666 TDE= -0.269567 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019147 tlogG= -0.010391 logG= -0.029539 Density= 0.274507 ETOT(band)= 0.002003 trlgG= -0.033294 logG= -0.029539 TDE= -0.267224 logGD-logG0= -0.009785 tlogG= -0.005897 logG= -0.015682 Density= 0.143935 ETOT(band)= 0.006341 trlgG= -0.012390 logG= -0.015682 TDE= -0.134855 logGD-logG0= -0.009627 tlogG= -0.005128 logG= -0.014755 Density= 0.139881 ETOT(band)= 0.002838 trlgG= -0.014898 logG= -0.014755 TDE= -0.134400 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019188 tlogG= -0.010456 logG= -0.029645 Density= 0.272237 ETOT(band)= -0.001903 trlgG= -0.037187 logG= -0.029645 TDE= -0.268832 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019288 tlogG= -0.010998 logG= -0.030286 Density= 0.278080 ETOT(band)= 0.003608 trlgG= -0.032576 logG= -0.030286 TDE= -0.269188 logGD-logG0= -0.019238 tlogG= -0.009936 logG= -0.029174 logGD-logG0= -0.019351 tlogG= -0.011764 logG= -0.031115 Density= 0.267021 ETOT(band)= -0.006287 trlgG= -0.041004 logG= -0.029174 TDE= -0.268113 Density= 0.280278 ETOT(band)= 0.004419 trlgG= -0.032779 logG= -0.031115 TDE= -0.270671 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009580 tlogG= -0.005416 logG= -0.014995 Density= 0.135869 ETOT(band)= -0.001305 trlgG= -0.019010 logG= -0.014995 TDE= -0.134420 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009589 tlogG= -0.005198 logG= -0.014787 Density= 0.136882 ETOT(band)= -0.000134 trlgG= -0.017695 logG= -0.014787 TDE= -0.134285 logGD-logG0= -0.009570 tlogG= -0.005062 logG= -0.014632 Density= 0.136432 ETOT(band)= -0.000458 trlgG= -0.017774 logG= -0.014632 TDE= -0.134088 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004793 tlogG= -0.002618 logG= -0.007411 Density= 0.068639 ETOT(band)= 0.000071 trlgG= -0.008776 logG= -0.007411 TDE= -0.067243 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002436 tlogG= -0.001847 logG= -0.004283 Density= 0.036958 ETOT(band)= 0.002601 trlgG= -0.002469 logG= -0.004283 TDE= -0.033658 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002333 tlogG= -0.002327 logG= -0.004660 Density= 0.034900 ETOT(band)= 0.000951 trlgG= -0.004348 logG= -0.004660 TDE= -0.033185 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009327 tlogG= -0.008743 logG= -0.018070 logGD-logG0= -0.009423 tlogG= -0.007331 logG= -0.016754 Density= 0.137662 ETOT(band)= 0.001691 trlgG= -0.017594 logG= -0.016754 TDE= -0.132966 Density= 0.139519 ETOT(band)= 0.003746 trlgG= -0.016758 logG= -0.018070 TDE= -0.132597 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002380 tlogG= -0.001953 logG= -0.004333 Density= 0.035815 ETOT(band)= 0.001772 trlgG= -0.003224 logG= -0.004333 TDE= -0.033267 logGD-logG0= -0.009377 tlogG= -0.007678 logG= -0.017055 Density= 0.138675 ETOT(band)= 0.002951 trlgG= -0.016482 logG= -0.017055 TDE= -0.132526 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009440 tlogG= -0.007256 logG= -0.016696 Density= 0.141058 ETOT(band)= 0.005278 trlgG= -0.014093 logG= -0.016696 TDE= -0.132783 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004680 tlogG= -0.003986 logG= -0.008666 Density= 0.069983 ETOT(band)= 0.002173 trlgG= -0.007736 logG= -0.008666 TDE= -0.066238 logGD-logG0= -0.009668 tlogG= -0.007114 logG= -0.016782 logGD-logG0= -0.009389 tlogG= -0.008361 logG= -0.017749 Density= 0.144925 ETOT(band)= 0.008418 trlgG= -0.011176 logG= -0.016782 TDE= -0.133491 Density= 0.140934 ETOT(band)= 0.005087 trlgG= -0.015233 logG= -0.017749 TDE= -0.132750 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009359 tlogG= -0.007906 logG= -0.017265 Density= 0.138936 ETOT(band)= 0.003325 trlgG= -0.016368 logG= -0.017265 TDE= -0.132452 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009480 tlogG= -0.006280 logG= -0.015760 Density= 0.137470 ETOT(band)= 0.001695 trlgG= -0.016881 logG= -0.015760 TDE= -0.133063 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009430 tlogG= -0.006810 logG= -0.016241 Density= 0.139435 ETOT(band)= 0.003975 trlgG= -0.014858 logG= -0.016241 TDE= -0.132446 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019094 tlogG= -0.013095 logG= -0.032189 Density= 0.284776 ETOT(band)= 0.012734 trlgG= -0.025166 logG= -0.032189 TDE= -0.266301 logGD-logG0= -0.009595 tlogG= -0.005252 logG= -0.014847 Density= 0.133819 ETOT(band)= -0.001878 trlgG= -0.019505 logG= -0.014847 TDE= -0.133095 logGD-logG0= -0.018760 tlogG= -0.015619 logG= -0.034379 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.280568 ETOT(band)= 0.009189 trlgG= -0.030203 logG= -0.034379 TDE= -0.265110 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004773 tlogG= -0.002788 logG= -0.007560 Density= 0.068408 ETOT(band)= 0.000775 trlgG= -0.008171 logG= -0.007560 TDE= -0.066268 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009623 tlogG= -0.004947 logG= -0.014570 Density= 0.130762 ETOT(band)= -0.004725 trlgG= -0.022005 logG= -0.014570 TDE= -0.132940 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009794 tlogG= -0.006640 logG= -0.016433 Density= 0.145790 ETOT(band)= 0.008865 trlgG= -0.010691 logG= -0.016433 TDE= -0.134186 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009325 tlogG= -0.008973 logG= -0.018299 Density= 0.139706 ETOT(band)= 0.003930 trlgG= -0.016870 logG= -0.018299 TDE= -0.132660 logGD-logG0= -0.018869 tlogG= -0.013830 logG= -0.032699 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.277736 ETOT(band)= 0.006352 trlgG= -0.031441 logG= -0.032699 TDE= -0.265309 logGD-logG0= -0.009483 tlogG= -0.007460 logG= -0.016943 Density= 0.142527 ETOT(band)= 0.006559 trlgG= -0.013059 logG= -0.016943 TDE= -0.132911 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019038 tlogG= -0.011553 logG= -0.030591 Density= 0.276970 ETOT(band)= 0.005853 trlgG= -0.030401 logG= -0.030591 TDE= -0.265642 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009651 tlogG= -0.005625 logG= -0.015275 Density= 0.141398 ETOT(band)= 0.005315 trlgG= -0.012979 logG= -0.015275 TDE= -0.133415 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009464 tlogG= -0.006596 logG= -0.016060 Density= 0.140872 ETOT(band)= 0.005341 trlgG= -0.013503 logG= -0.016060 TDE= -0.132650 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003099 tlogG= 0.069192 logG= 0.066094 Density= 0.045883 ETOT(band)= 0.000650 trlgG= 0.065899 logG= 0.066094 TDE= -0.044233 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003128 tlogG= 0.069874 logG= 0.066746 Density= 0.046312 ETOT(band)= 0.001077 trlgG= 0.067021 logG= 0.066746 TDE= -0.044174 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002325 tlogG= 0.051913 logG= 0.049589 Density= 0.034476 ETOT(band)= 0.000538 trlgG= 0.049500 logG= 0.049589 TDE= -0.033178 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009322 tlogG= 0.208445 logG= 0.199123 Density= 0.138681 ETOT(band)= 0.002953 trlgG= 0.199538 logG= 0.199123 TDE= -0.132689 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004653 tlogG= 0.104040 logG= 0.099386 Density= 0.069196 ETOT(band)= 0.001310 trlgG= 0.099453 logG= 0.099386 TDE= -0.066347 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009358 tlogG= 0.209146 logG= 0.199788 Density= 0.139188 ETOT(band)= 0.003483 trlgG= 0.200769 logG= 0.199788 TDE= -0.132609 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003109 tlogG= 0.069476 logG= 0.066367 Density= 0.046238 ETOT(band)= 0.000975 trlgG= 0.066523 logG= 0.066367 TDE= -0.044222 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.49764275229104 eV TrLogG= -13.7876158854454 eV Ratio to renormalize= 0.999999999715 rho-rho_expected= 0.000000004564 nargs= 1 argi=dmft2.def 10) Finished k-point number 11 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 17) Finished k-point number 18 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 58) Finished k-point number 59 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 98) Finished k-point number 99 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 90) Finished k-point number 91 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 81) Finished k-point number 82 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 78) Finished k-point number 79 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931390716874475 0.928021573105949 37) Finished k-point number 38 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 13) Finished k-point number 14 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 35) Finished k-point number 36 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 43) Finished k-point number 44 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 48) Finished k-point number 49 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 26 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 55) Finished k-point number 56 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 26 41) Finished k-point number 42 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 24) Finished k-point number 25 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0585711747230 Density= 15.9987680326353 16.0000000000000 EF 13.3306850068366 Density= 16.5025641057331 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97978736 0.95978736 0.502564 -0.123197E-02 1 0.96978736 0.95978691 0.260055 -0.123197E-02 2 0.96478713 0.95978713 0.132481 -0.123197E-02 3 0.96228713 0.95978702 0.665875E-01 -0.123197E-02 4 0.96103708 0.95978708 0.329444E-01 -0.123197E-02 5 0.96041208 0.95978729 0.159238E-01 -0.123197E-02 6 0.96009968 0.95978694 0.736321E-02 -0.123197E-02 7 0.95994331 0.95978735 0.306448E-02 -0.123197E-02 8 0.95986533 0.95978691 0.917282E-03 -0.123197E-02 9 0.95983185 0.95986533 -0.530043E-05 0.917282E-03 10 0.95983205 0.95983185 0.122643E-08 -0.530043E-05 11 0.95983205 0.95983205 -0.152987E-08 0.122643E-08 12 0.95983205 0.95983205 -0.152987E-08 0.122643E-08 Absolute convergence of the X interval. Difference in EF= 0.0006079362 EF set to : 13.0591791109 new EF (no-mixing): 13.0591791109 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.002409 tlogG= -0.002378 logG= -0.004786 Density= 0.037906 ETOT(band)= 0.002563 trlgG= -0.003038 logG= -0.004786 TDE= -0.034635 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009641 tlogG= -0.009426 logG= -0.019068 Density= 0.151726 ETOT(band)= 0.010132 trlgG= -0.012182 logG= -0.019068 TDE= -0.138746 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004817 tlogG= -0.004566 logG= -0.009383 Density= 0.075836 ETOT(band)= 0.005145 trlgG= -0.005862 logG= -0.009383 TDE= -0.069270 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002414 tlogG= -0.002054 logG= -0.004468 Density= 0.037429 ETOT(band)= 0.002569 trlgG= -0.002758 logG= -0.004468 TDE= -0.034215 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004837 tlogG= -0.004144 logG= -0.008980 Density= 0.075479 ETOT(band)= 0.005162 trlgG= -0.005507 logG= -0.008980 TDE= -0.068974 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001576 tlogG= -0.001304 logG= -0.002880 Density= 0.022787 ETOT(band)= -0.000159 trlgG= -0.003486 logG= -0.002880 TDE= -0.022478 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009672 tlogG= -0.008568 logG= -0.018240 Density= 0.150752 ETOT(band)= 0.010555 trlgG= -0.011065 logG= -0.018240 TDE= -0.137521 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009683 tlogG= -0.008700 logG= -0.018383 Density= 0.151224 ETOT(band)= 0.010571 trlgG= -0.011151 logG= -0.018383 TDE= -0.137918 logGD-logG0= -0.019335 tlogG= -0.015701 logG= -0.035036 Density= 0.301224 ETOT(band)= 0.020839 trlgG= -0.020924 logG= -0.035036 TDE= -0.275013 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001208 tlogG= -0.001236 logG= -0.002444 Density= 0.018979 ETOT(band)= 0.001235 trlgG= -0.001614 logG= -0.002444 TDE= -0.017387 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009644 tlogG= -0.007704 logG= -0.017348 Density= 0.149865 ETOT(band)= 0.010837 trlgG= -0.009836 logG= -0.017348 TDE= -0.136334 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019315 tlogG= -0.014584 logG= -0.033900 Density= 0.299094 ETOT(band)= 0.020782 trlgG= -0.019642 logG= -0.033900 TDE= -0.272823 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009684 tlogG= -0.006544 logG= -0.016228 Density= 0.147176 ETOT(band)= 0.008338 trlgG= -0.011142 logG= -0.016228 TDE= -0.136179 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003146 tlogG= -0.002501 logG= -0.005646 Density= 0.045398 ETOT(band)= -0.000319 trlgG= -0.006900 logG= -0.005646 TDE= -0.044828 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003100 tlogG= -0.002577 logG= -0.005678 Density= 0.045913 ETOT(band)= 0.000606 trlgG= -0.005854 logG= -0.005678 TDE= -0.044245 logGD-logG0= -0.003128 tlogG= -0.002527 logG= -0.005655 Density= 0.045637 ETOT(band)= 0.000096 trlgG= -0.006420 logG= -0.005655 TDE= -0.044569 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009441 tlogG= -0.007289 logG= -0.016730 logGD-logG0= -0.009449 tlogG= -0.007376 logG= -0.016825 Density= 0.136808 ETOT(band)= -0.000633 trlgG= -0.020293 logG= -0.016825 TDE= -0.134780 Density= 0.136677 ETOT(band)= -0.000578 trlgG= -0.020158 logG= -0.016730 TDE= -0.134616 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009426 tlogG= -0.007217 logG= -0.016643 Density= 0.136728 ETOT(band)= -0.000183 trlgG= -0.019645 logG= -0.016643 TDE= -0.134238 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009457 tlogG= -0.006584 logG= -0.016041 Density= 0.137931 ETOT(band)= 0.000752 trlgG= -0.018236 logG= -0.016041 TDE= -0.134586 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009370 tlogG= -0.007285 logG= -0.016655 Density= 0.137414 ETOT(band)= 0.001137 trlgG= -0.018091 logG= -0.016655 TDE= -0.133330 logGD-logG0= -0.009511 tlogG= -0.005865 logG= -0.015376 Density= 0.138094 ETOT(band)= 0.001029 trlgG= -0.017286 logG= -0.015376 TDE= -0.134457 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009430 tlogG= -0.006450 logG= -0.015879 Density= 0.137699 ETOT(band)= 0.001015 trlgG= -0.017755 logG= -0.015879 TDE= -0.134044 logGD-logG0= -0.009749 tlogG= -0.007054 logG= -0.016803 Density= 0.147517 ETOT(band)= 0.009040 trlgG= -0.011044 logG= -0.016803 TDE= -0.135832 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009406 tlogG= -0.007251 logG= -0.016656 Density= 0.136964 ETOT(band)= 0.000230 trlgG= -0.019160 logG= -0.016656 TDE= -0.133966 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009452 tlogG= -0.006766 logG= -0.016218 Density= 0.138524 ETOT(band)= 0.001717 trlgG= -0.017228 logG= -0.016218 TDE= -0.133970 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009465 tlogG= -0.006549 logG= -0.016014 Density= 0.137878 ETOT(band)= 0.000779 trlgG= -0.018216 logG= -0.016014 TDE= -0.134541 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004774 tlogG= -0.003059 logG= -0.007834 Density= 0.067593 ETOT(band)= -0.001236 trlgG= -0.010494 logG= -0.007834 TDE= -0.067538 logGD-logG0= -0.009493 tlogG= -0.005544 logG= -0.015036 Density= 0.136832 ETOT(band)= 0.000303 trlgG= -0.017668 logG= -0.015036 TDE= -0.133968 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004789 tlogG= -0.002537 logG= -0.007326 Density= 0.065384 ETOT(band)= -0.002681 trlgG= -0.011287 logG= -0.007326 TDE= -0.066719 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009400 tlogG= -0.006744 logG= -0.016143 Density= 0.139093 ETOT(band)= 0.003006 trlgG= -0.015753 logG= -0.016143 TDE= -0.133116 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019101 tlogG= -0.010699 logG= -0.029800 Density= 0.271333 ETOT(band)= -0.002184 trlgG= -0.037786 logG= -0.029800 TDE= -0.268420 logGD-logG0= -0.019487 tlogG= -0.012620 logG= -0.032107 Density= 0.285197 ETOT(band)= 0.008306 trlgG= -0.030052 logG= -0.032107 TDE= -0.271687 logGD-logG0= -0.018993 tlogG= -0.011814 logG= -0.030807 Density= 0.277923 ETOT(band)= 0.004007 trlgG= -0.032771 logG= -0.030807 TDE= -0.268723 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019010 tlogG= -0.011960 logG= -0.030970 Density= 0.278274 ETOT(band)= 0.004059 trlgG= -0.032925 logG= -0.030970 TDE= -0.269051 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019198 tlogG= -0.010022 logG= -0.029219 Density= 0.264045 ETOT(band)= -0.008373 trlgG= -0.043086 logG= -0.029219 TDE= -0.267305 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019118 tlogG= -0.011309 logG= -0.030426 logGD-logG0= -0.019246 tlogG= -0.011919 logG= -0.031165 Density= 0.281456 ETOT(band)= 0.006870 trlgG= -0.030283 logG= -0.031165 TDE= -0.269268 Density= 0.275419 ETOT(band)= 0.001223 trlgG= -0.034978 logG= -0.030426 TDE= -0.268908 logGD-logG0= -0.018926 tlogG= -0.012207 logG= -0.031133 Density= 0.278963 ETOT(band)= 0.006482 trlgG= -0.030266 logG= -0.031133 TDE= -0.266891 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019207 tlogG= -0.010316 logG= -0.029523 Density= 0.277963 ETOT(band)= 0.004484 trlgG= -0.030890 logG= -0.029523 TDE= -0.268165 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.018994 tlogG= -0.012114 logG= -0.031108 Density= 0.278109 ETOT(band)= 0.004482 trlgG= -0.032437 logG= -0.031108 TDE= -0.268267 logGD-logG0= -0.004867 tlogG= -0.003528 logG= -0.008396 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.074745 ETOT(band)= 0.004997 trlgG= -0.005040 logG= -0.008396 TDE= -0.068387 logGD-logG0= -0.018921 tlogG= -0.011495 logG= -0.030417 Density= 0.276497 ETOT(band)= 0.003900 trlgG= -0.032294 logG= -0.030417 TDE= -0.267269 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000387 tlogG= 0.008634 logG= 0.008247 Density= 0.005720 ETOT(band)= 0.000066 trlgG= 0.008208 logG= 0.008247 TDE= -0.005529 logGD-logG0= -0.019533 tlogG= -0.012604 logG= -0.032137 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.289598 ETOT(band)= 0.014856 trlgG= -0.023399 logG= -0.032137 TDE= -0.269227 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019350 tlogG= -0.011763 logG= -0.031113 Density= 0.280281 ETOT(band)= 0.004433 trlgG= -0.032764 logG= -0.031113 TDE= -0.270674 logGD-logG0= -0.009716 tlogG= -0.006438 logG= -0.016155 Density= 0.142535 ETOT(band)= 0.004344 trlgG= -0.014882 logG= -0.016155 TDE= -0.135537 logGD-logG0= -0.009635 tlogG= -0.004807 logG= -0.014442 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.130976 ETOT(band)= -0.005220 trlgG= -0.022387 logG= -0.014442 TDE= -0.133659 logGD-logG0= -0.009566 tlogG= -0.005378 logG= -0.014943 Density= 0.132997 ETOT(band)= -0.003821 trlgG= -0.021497 logG= -0.014943 TDE= -0.134209 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009627 tlogG= -0.005127 logG= -0.014755 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.139888 ETOT(band)= 0.002850 trlgG= -0.014887 logG= -0.014755 TDE= -0.134401 logGD-logG0= -0.019144 tlogG= -0.010392 logG= -0.029536 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.274546 ETOT(band)= 0.002051 trlgG= -0.033244 logG= -0.029536 TDE= -0.267226 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019138 tlogG= -0.011525 logG= -0.030663 Density= 0.270104 ETOT(band)= -0.004585 trlgG= -0.040978 logG= -0.030663 TDE= -0.269569 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019188 tlogG= -0.010456 logG= -0.029644 Density= 0.272242 ETOT(band)= -0.001887 trlgG= -0.037171 logG= -0.029644 TDE= -0.268835 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009785 tlogG= -0.005898 logG= -0.015683 Density= 0.143938 ETOT(band)= 0.006348 trlgG= -0.012383 logG= -0.015683 TDE= -0.134857 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009691 tlogG= -0.006595 logG= -0.016286 Density= 0.143817 ETOT(band)= 0.004932 trlgG= -0.014545 logG= -0.016286 TDE= -0.136299 logGD-logG0= -0.009616 tlogG= -0.006504 logG= -0.016120 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.143530 ETOT(band)= 0.006792 trlgG= -0.012234 logG= -0.016120 TDE= -0.133878 logGD-logG0= -0.019239 tlogG= -0.009930 logG= -0.029169 Density= 0.267005 ETOT(band)= -0.006291 trlgG= -0.041004 logG= -0.029169 TDE= -0.268115 logGD-logG0= -0.009590 tlogG= -0.005198 logG= -0.014787 Density= 0.136883 ETOT(band)= -0.000127 trlgG= -0.017689 logG= -0.014787 TDE= -0.134286 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009668 tlogG= -0.007963 logG= -0.017631 Density= 0.150532 ETOT(band)= 0.010454 trlgG= -0.010538 logG= -0.017631 TDE= -0.137392 logGD-logG0= -0.009687 tlogG= -0.007467 logG= -0.017154 Density= 0.148873 ETOT(band)= 0.010669 trlgG= -0.009788 logG= -0.017154 TDE= -0.135528 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009571 tlogG= -0.005061 logG= -0.014632 Density= 0.136432 ETOT(band)= -0.000452 trlgG= -0.017769 logG= -0.014632 TDE= -0.134089 logGD-logG0= -0.009579 tlogG= -0.005417 logG= -0.014996 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.135869 ETOT(band)= -0.001300 trlgG= -0.019005 logG= -0.014996 TDE= -0.134421 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009539 tlogG= -0.005550 logG= -0.015089 Density= 0.133719 ETOT(band)= -0.003144 trlgG= -0.021030 logG= -0.015089 TDE= -0.134288 logGD-logG0= -0.004793 tlogG= -0.002618 logG= -0.007411 Density= 0.068639 ETOT(band)= 0.000073 trlgG= -0.008773 logG= -0.007411 TDE= -0.067244 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009327 tlogG= -0.008743 logG= -0.018070 Density= 0.139518 ETOT(band)= 0.003751 trlgG= -0.016754 logG= -0.018070 TDE= -0.132598 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009528 tlogG= -0.006067 logG= -0.015594 Density= 0.138684 ETOT(band)= 0.001587 trlgG= -0.016870 logG= -0.015594 TDE= -0.134389 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009377 tlogG= -0.007677 logG= -0.017054 Density= 0.138674 ETOT(band)= 0.002956 trlgG= -0.016477 logG= -0.017054 TDE= -0.132527 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009765 tlogG= -0.006442 logG= -0.016208 Density= 0.143108 ETOT(band)= 0.004378 trlgG= -0.015004 logG= -0.016208 TDE= -0.136157 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002333 tlogG= -0.002327 logG= -0.004660 Density= 0.034900 ETOT(band)= 0.000952 trlgG= -0.004347 logG= -0.004660 TDE= -0.033185 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009440 tlogG= -0.007257 logG= -0.016697 Density= 0.141059 ETOT(band)= 0.005285 trlgG= -0.014089 logG= -0.016697 TDE= -0.132784 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009423 tlogG= -0.007330 logG= -0.016753 Density= 0.137661 ETOT(band)= 0.001695 trlgG= -0.017589 logG= -0.016753 TDE= -0.132967 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009389 tlogG= -0.008361 logG= -0.017750 Density= 0.140934 ETOT(band)= 0.005093 trlgG= -0.015228 logG= -0.017750 TDE= -0.132751 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009359 tlogG= -0.007907 logG= -0.017266 Density= 0.138935 ETOT(band)= 0.003331 trlgG= -0.016364 logG= -0.017266 TDE= -0.132453 logGD-logG0= -0.009668 tlogG= -0.007114 logG= -0.016783 Density= 0.144926 ETOT(band)= 0.008424 trlgG= -0.011170 logG= -0.016783 TDE= -0.133492 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009551 tlogG= -0.006286 logG= -0.015836 Density= 0.140309 ETOT(band)= 0.003383 trlgG= -0.015271 logG= -0.015836 TDE= -0.134108 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009480 tlogG= -0.006279 logG= -0.015759 Density= 0.137469 ETOT(band)= 0.001699 trlgG= -0.016876 logG= -0.015759 TDE= -0.133064 logGD-logG0= -0.009595 tlogG= -0.005252 logG= -0.014847 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.133817 ETOT(band)= -0.001875 trlgG= -0.019501 logG= -0.014847 TDE= -0.133096 logGD-logG0= -0.004773 tlogG= -0.002786 logG= -0.007559 Density= 0.068404 ETOT(band)= 0.000774 trlgG= -0.008171 logG= -0.007559 TDE= -0.066269 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004680 tlogG= -0.003986 logG= -0.008666 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.069983 ETOT(band)= 0.002176 trlgG= -0.007733 logG= -0.008666 TDE= -0.066239 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009325 tlogG= -0.008974 logG= -0.018299 Density= 0.139706 ETOT(band)= 0.003935 trlgG= -0.016866 logG= -0.018299 TDE= -0.132661 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009450 tlogG= -0.006779 logG= -0.016230 Density= 0.137545 ETOT(band)= 0.000300 trlgG= -0.018892 logG= -0.016230 TDE= -0.134682 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009431 tlogG= -0.006814 logG= -0.016244 Density= 0.139434 ETOT(band)= 0.003980 trlgG= -0.014858 logG= -0.016244 TDE= -0.132447 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019094 tlogG= -0.013098 logG= -0.032192 Density= 0.284777 ETOT(band)= 0.012746 trlgG= -0.025158 logG= -0.032192 TDE= -0.266304 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009557 tlogG= -0.005942 logG= -0.015498 Density= 0.135865 ETOT(band)= -0.001460 trlgG= -0.019819 logG= -0.015498 TDE= -0.134729 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009623 tlogG= -0.004946 logG= -0.014569 Density= 0.130772 ETOT(band)= -0.004710 trlgG= -0.021990 logG= -0.014569 TDE= -0.132941 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009794 tlogG= -0.006640 logG= -0.016434 Density= 0.145790 ETOT(band)= 0.008870 trlgG= -0.010687 logG= -0.016434 TDE= -0.134187 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002380 tlogG= -0.001953 logG= -0.004333 Density= 0.035816 ETOT(band)= 0.001773 trlgG= -0.003223 logG= -0.004333 TDE= -0.033267 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009651 tlogG= -0.005625 logG= -0.015276 Density= 0.141401 ETOT(band)= 0.005324 trlgG= -0.012971 logG= -0.015276 TDE= -0.133416 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019036 tlogG= -0.011550 logG= -0.030586 Density= 0.276961 ETOT(band)= 0.005854 trlgG= -0.030395 logG= -0.030586 TDE= -0.265645 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019289 tlogG= -0.011007 logG= -0.030296 Density= 0.278099 ETOT(band)= 0.003635 trlgG= -0.032559 logG= -0.030296 TDE= -0.269191 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009464 tlogG= -0.006597 logG= -0.016061 Density= 0.140873 ETOT(band)= 0.005348 trlgG= -0.013497 logG= -0.016061 TDE= -0.132651 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018889 tlogG= -0.013560 logG= -0.032450 Density= 0.275266 ETOT(band)= 0.001232 trlgG= -0.037009 logG= -0.032450 TDE= -0.268769 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002436 tlogG= -0.001847 logG= -0.004283 Density= 0.036957 ETOT(band)= 0.002602 trlgG= -0.002468 logG= -0.004283 TDE= -0.033658 logGD-logG0= -0.003099 tlogG= 0.069196 logG= 0.066097 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.045883 ETOT(band)= 0.000651 trlgG= 0.065904 logG= 0.066097 TDE= -0.044233 logGD-logG0= -0.003129 tlogG= 0.069877 logG= 0.066749 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Density= 0.046311 ETOT(band)= 0.001079 trlgG= 0.067025 logG= 0.066749 TDE= -0.044175 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002325 tlogG= 0.051916 logG= 0.049591 Density= 0.034475 ETOT(band)= 0.000539 trlgG= 0.049503 logG= 0.049591 TDE= -0.033178 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.018822 tlogG= -0.013604 logG= -0.032426 Density= 0.275953 ETOT(band)= 0.003080 trlgG= -0.034746 logG= -0.032426 TDE= -0.267188 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009323 tlogG= 0.208455 logG= 0.199133 Density= 0.138680 ETOT(band)= 0.002958 trlgG= 0.199552 logG= 0.199133 TDE= -0.132690 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009359 tlogG= 0.209156 logG= 0.199797 Density= 0.139186 ETOT(band)= 0.003488 trlgG= 0.200783 logG= 0.199797 TDE= -0.132610 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003109 tlogG= 0.069479 logG= 0.066370 Density= 0.046237 ETOT(band)= 0.000976 trlgG= 0.066528 logG= 0.066370 TDE= -0.044222 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004653 tlogG= 0.104046 logG= 0.099392 Density= 0.069196 ETOT(band)= 0.001312 trlgG= 0.099461 logG= 0.099392 TDE= -0.066348 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009483 tlogG= -0.007460 logG= -0.016943 Density= 0.142528 ETOT(band)= 0.006566 trlgG= -0.013053 logG= -0.016943 TDE= -0.132912 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018760 tlogG= -0.015620 logG= -0.034380 Density= 0.280567 ETOT(band)= 0.009200 trlgG= -0.030195 logG= -0.034380 TDE= -0.265112 logGD-logG0= -0.018871 tlogG= -0.013834 logG= -0.032705 Density= 0.277733 ETOT(band)= 0.006361 trlgG= -0.031439 logG= -0.032705 TDE= -0.265311 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Sum of eigenvalues= 4.50614974507918 eV TrLogG= -13.7795823252722 eV Ratio to renormalize= 0.999999999810 rho-rho_expected= 0.000000003034 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 42) Finished k-point number 43 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 29) Finished k-point number 30 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 46) Finished k-point number 47 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 77) Finished k-point number 78 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 95) Finished k-point number 96 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 94) Finished k-point number 95 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 78) Finished k-point number 79 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 101) Finished k-point number 102 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 98) Finished k-point number 99 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931406465909415 0.928005291065096 7) Finished k-point number 8 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 0) Finished k-point number 1 1 with #bands= 26 50) Finished k-point number 51 1 with #bands= 20 6) Finished k-point number 7 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 13) Finished k-point number 14 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 57) Finished k-point number 58 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0591791109143 Density= 15.9897165531488 16.0000000000000 EF 13.3312929430279 Density= 16.4951110741173 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.97983205 0.95983205 0.495111 -0.102834E-01 1 0.96983205 0.95983207 0.251737 -0.102834E-01 2 0.96483206 0.95983182 0.123808 -0.102834E-01 3 0.96233194 0.95983194 0.577204E-01 -0.102834E-01 4 0.96108194 0.95983188 0.239858E-01 -0.102834E-01 5 0.96045691 0.95983215 0.691959E-02 -0.102834E-01 6 0.96020501 0.95983215 0.188374E-05 -0.102834E-01 7 0.96020494 0.95983215 0.220904E-09 -0.102834E-01 8 0.96020494 0.96020494 -0.252990E-08 0.220904E-09 9 0.96020494 0.96020494 -0.252990E-08 0.220904E-09 Absolute convergence of the X interval. Difference in EF= 0.0050734467 EF set to : 13.0642525576 new EF (no-mixing): 13.0642525576 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001222 tlogG= -0.001242 logG= -0.002465 Density= 0.018970 ETOT(band)= 0.001226 trlgG= -0.001641 logG= -0.002465 TDE= -0.017392 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009754 tlogG= -0.009479 logG= -0.019233 Density= 0.151657 ETOT(band)= 0.010061 trlgG= -0.012397 logG= -0.019233 TDE= -0.138785 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002437 tlogG= -0.002391 logG= -0.004827 Density= 0.037889 ETOT(band)= 0.002545 trlgG= -0.003092 logG= -0.004827 TDE= -0.034645 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004873 tlogG= -0.004592 logG= -0.009465 Density= 0.075802 ETOT(band)= 0.005110 trlgG= -0.005969 logG= -0.009465 TDE= -0.069289 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002441 tlogG= -0.002067 logG= -0.004509 Density= 0.037415 ETOT(band)= 0.002555 trlgG= -0.002808 logG= -0.004509 TDE= -0.034225 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009784 tlogG= -0.008621 logG= -0.018405 Density= 0.150688 ETOT(band)= 0.010490 trlgG= -0.011274 logG= -0.018405 TDE= -0.137560 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001595 tlogG= -0.001311 logG= -0.002906 Density= 0.022776 ETOT(band)= -0.000170 trlgG= -0.003520 logG= -0.002906 TDE= -0.022484 logGD-logG0= -0.004893 tlogG= -0.004170 logG= -0.009063 Density= 0.075448 ETOT(band)= 0.005130 trlgG= -0.005611 logG= -0.009063 TDE= -0.068993 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009803 tlogG= -0.006644 logG= -0.016447 Density= 0.143895 ETOT(band)= 0.005007 trlgG= -0.014617 logG= -0.016447 TDE= -0.136338 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009781 tlogG= -0.008015 logG= -0.017796 Density= 0.150472 ETOT(band)= 0.010393 trlgG= -0.010743 logG= -0.017796 TDE= -0.137431 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009756 tlogG= -0.007756 logG= -0.017512 Density= 0.149816 ETOT(band)= 0.010787 trlgG= -0.010031 logG= -0.017512 TDE= -0.136373 logGD-logG0= -0.009795 tlogG= -0.008753 logG= -0.018548 Density= 0.151158 ETOT(band)= 0.010504 trlgG= -0.011362 logG= -0.018548 TDE= -0.137957 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019560 tlogG= -0.015806 logG= -0.035366 Density= 0.301107 ETOT(band)= 0.020719 trlgG= -0.021332 logG= -0.035366 TDE= -0.275091 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019539 tlogG= -0.014690 logG= -0.034229 Density= 0.299017 ETOT(band)= 0.020703 trlgG= -0.020012 logG= -0.034229 TDE= -0.272901 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009795 tlogG= -0.006596 logG= -0.016392 Density= 0.147188 ETOT(band)= 0.008349 trlgG= -0.011279 logG= -0.016392 TDE= -0.136218 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003183 tlogG= -0.002516 logG= -0.005699 Density= 0.045377 ETOT(band)= -0.000340 trlgG= -0.006969 logG= -0.005699 TDE= -0.044841 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003136 tlogG= -0.002592 logG= -0.005729 Density= 0.045893 ETOT(band)= 0.000587 trlgG= -0.005920 logG= -0.005729 TDE= -0.044258 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009553 tlogG= -0.007337 logG= -0.016890 Density= 0.136619 ETOT(band)= -0.000635 trlgG= -0.020363 logG= -0.016890 TDE= -0.134655 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009561 tlogG= -0.007423 logG= -0.016984 Density= 0.136750 ETOT(band)= -0.000690 trlgG= -0.020496 logG= -0.016984 TDE= -0.134819 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003165 tlogG= -0.002542 logG= -0.005707 Density= 0.045616 ETOT(band)= 0.000075 trlgG= -0.006489 logG= -0.005707 TDE= -0.044583 logGD-logG0= -0.009538 tlogG= -0.007260 logG= -0.016798 Density= 0.136671 ETOT(band)= -0.000237 trlgG= -0.019843 logG= -0.016798 TDE= -0.134277 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009481 tlogG= -0.007330 logG= -0.016811 Density= 0.137356 ETOT(band)= 0.001081 trlgG= -0.018291 logG= -0.016811 TDE= -0.133369 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009570 tlogG= -0.006627 logG= -0.016197 Density= 0.137897 ETOT(band)= 0.000719 trlgG= -0.018412 logG= -0.016197 TDE= -0.134625 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009861 tlogG= -0.007107 logG= -0.016968 Density= 0.147529 ETOT(band)= 0.009052 trlgG= -0.011181 logG= -0.016968 TDE= -0.135871 logGD-logG0= -0.009799 tlogG= -0.007520 logG= -0.017318 Density= 0.148853 ETOT(band)= 0.010649 trlgG= -0.009956 logG= -0.017318 TDE= -0.135567 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009516 tlogG= -0.007296 logG= -0.016812 Density= 0.136905 ETOT(band)= 0.000173 trlgG= -0.019360 logG= -0.016812 TDE= -0.134006 logGD-logG0= -0.009666 tlogG= -0.006330 logG= -0.015995 logGD-logG0= -0.009834 tlogG= -0.006483 logG= -0.016317 Density= 0.142598 ETOT(band)= 0.004404 trlgG= -0.014969 logG= -0.016317 TDE= -0.135576 Density= 0.140323 ETOT(band)= 0.003398 trlgG= -0.015404 logG= -0.015995 TDE= -0.134148 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009624 tlogG= -0.005910 logG= -0.015534 Density= 0.138076 ETOT(band)= 0.001011 trlgG= -0.017448 logG= -0.015534 TDE= -0.134496 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009578 tlogG= -0.006593 logG= -0.016172 logGD-logG0= -0.009566 tlogG= -0.006810 logG= -0.016376 Density= 0.138487 ETOT(band)= 0.001683 trlgG= -0.017409 logG= -0.016376 TDE= -0.134010 logGD-logG0= -0.009542 tlogG= -0.006495 logG= -0.016036 Density= 0.137661 ETOT(band)= 0.000979 trlgG= -0.017936 logG= -0.016036 TDE= -0.134083 Density= 0.137845 ETOT(band)= 0.000748 trlgG= -0.018392 logG= -0.016172 TDE= -0.134580 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009669 tlogG= -0.005986 logG= -0.015656 Density= 0.135824 ETOT(band)= -0.001500 trlgG= -0.019999 logG= -0.015656 TDE= -0.134762 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009512 tlogG= -0.006788 logG= -0.016300 Density= 0.139065 ETOT(band)= 0.002980 trlgG= -0.015931 logG= -0.016300 TDE= -0.133161 logGD-logG0= -0.004830 tlogG= -0.003081 logG= -0.007911 Density= 0.067560 ETOT(band)= -0.001269 trlgG= -0.010595 logG= -0.007911 TDE= -0.067555 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009734 tlogG= -0.006547 logG= -0.016280 logGD-logG0= -0.004844 tlogG= -0.002557 logG= -0.007401 Density= 0.065401 ETOT(band)= -0.002664 trlgG= -0.011339 logG= -0.007401 TDE= -0.066736 Density= 0.143579 ETOT(band)= 0.006841 trlgG= -0.012333 logG= -0.016280 TDE= -0.133918 logGD-logG0= -0.009641 tlogG= -0.006109 logG= -0.015750 Density= 0.138674 ETOT(band)= 0.001577 trlgG= -0.017022 logG= -0.015750 TDE= -0.134428 logGD-logG0= -0.009605 tlogG= -0.005586 logG= -0.015191 Density= 0.136821 ETOT(band)= 0.000292 trlgG= -0.017822 logG= -0.015191 TDE= -0.134007 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009562 tlogG= -0.006825 logG= -0.016387 Density= 0.137504 ETOT(band)= 0.000260 trlgG= -0.019076 logG= -0.016387 TDE= -0.134721 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009651 tlogG= -0.005596 logG= -0.015247 Density= 0.133684 ETOT(band)= -0.003179 trlgG= -0.021205 logG= -0.015247 TDE= -0.134321 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009880 tlogG= -0.006489 logG= -0.016370 Density= 0.143185 ETOT(band)= 0.004451 trlgG= -0.015078 logG= -0.016370 TDE= -0.136196 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019114 tlogG= -0.013643 logG= -0.032757 Density= 0.275183 ETOT(band)= 0.001153 trlgG= -0.037371 logG= -0.032757 TDE= -0.268847 logGD-logG0= -0.019721 tlogG= -0.012709 logG= -0.032430 logGD-logG0= -0.019045 tlogG= -0.013693 logG= -0.032738 Density= 0.285353 ETOT(band)= 0.008456 trlgG= -0.030198 logG= -0.032430 TDE= -0.271765 Density= 0.275862 ETOT(band)= 0.002995 trlgG= -0.035121 logG= -0.032738 TDE= -0.267267 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019221 tlogG= -0.011902 logG= -0.031123 Density= 0.277910 ETOT(band)= 0.003995 trlgG= -0.033074 logG= -0.031123 TDE= -0.268802 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004924 tlogG= -0.003555 logG= -0.008479 Density= 0.074730 ETOT(band)= 0.004982 trlgG= -0.005129 logG= -0.008479 TDE= -0.068406 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019345 tlogG= -0.011394 logG= -0.030739 Density= 0.275409 ETOT(band)= 0.001212 trlgG= -0.035276 logG= -0.030739 TDE= -0.268986 logGD-logG0= -0.019220 tlogG= -0.012201 logG= -0.031421 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019478 tlogG= -0.012008 logG= -0.031486 Density= 0.281532 ETOT(band)= 0.006943 trlgG= -0.030504 logG= -0.031486 TDE= -0.269347 logGD-logG0= -0.019421 tlogG= -0.010112 logG= -0.029534 Density= 0.264260 ETOT(band)= -0.008159 trlgG= -0.043173 logG= -0.029534 TDE= -0.267384 Density= 0.278090 ETOT(band)= 0.004464 trlgG= -0.032742 logG= -0.031421 TDE= -0.268345 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019152 tlogG= -0.012295 logG= -0.031448 Density= 0.278959 ETOT(band)= 0.006481 trlgG= -0.030572 logG= -0.031448 TDE= -0.266983 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019327 tlogG= -0.010786 logG= -0.030113 Density= 0.271328 ETOT(band)= -0.002190 trlgG= -0.038081 logG= -0.030113 TDE= -0.268499 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009681 tlogG= -0.005429 logG= -0.015110 logGD-logG0= -0.019763 tlogG= -0.012698 logG= -0.032461 Density= 0.133010 ETOT(band)= -0.003804 trlgG= -0.021635 logG= -0.015110 TDE= -0.134241 Density= 0.289724 ETOT(band)= 0.014981 trlgG= -0.023572 logG= -0.032461 TDE= -0.269305 logGD-logG0= -0.000391 tlogG= 0.008635 logG= 0.008244 Density= 0.005718 ETOT(band)= 0.000063 trlgG= 0.008203 logG= 0.008244 TDE= -0.005531 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019240 tlogG= -0.012054 logG= -0.031295 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278265 ETOT(band)= 0.004052 trlgG= -0.033232 logG= -0.031295 TDE= -0.269129 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019439 tlogG= -0.010406 logG= -0.029845 logGD-logG0= -0.019364 tlogG= -0.011619 logG= -0.030984 Density= 0.270016 ETOT(band)= -0.004670 trlgG= -0.041348 logG= -0.030984 TDE= -0.269635 Density= 0.278059 ETOT(band)= 0.004577 trlgG= -0.031094 logG= -0.029845 TDE= -0.268243 logGD-logG0= -0.019145 tlogG= -0.011582 logG= -0.030728 Density= 0.276474 ETOT(band)= 0.003877 trlgG= -0.032604 logG= -0.030728 TDE= -0.267347 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009756 tlogG= -0.004842 logG= -0.014598 Density= 0.131160 ETOT(band)= -0.005040 trlgG= -0.022362 logG= -0.014598 TDE= -0.133705 logGD-logG0= -0.019376 tlogG= -0.010481 logG= -0.029857 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.274731 ETOT(band)= 0.002234 trlgG= -0.033377 logG= -0.029857 TDE= -0.267318 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019582 tlogG= -0.011852 logG= -0.031435 Density= 0.280367 ETOT(band)= 0.004515 trlgG= -0.032977 logG= -0.031435 TDE= -0.270752 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019463 tlogG= -0.010026 logG= -0.029489 Density= 0.267189 ETOT(band)= -0.006112 trlgG= -0.041126 logG= -0.029489 TDE= -0.268193 logGD-logG0= -0.009899 tlogG= -0.005947 logG= -0.015846 logGD-logG0= -0.009745 tlogG= -0.005171 logG= -0.014916 Density= 0.139919 ETOT(band)= 0.002881 trlgG= -0.015005 logG= -0.014916 TDE= -0.134440 Density= 0.144025 ETOT(band)= 0.006434 trlgG= -0.012449 logG= -0.015846 TDE= -0.134896 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019520 tlogG= -0.011087 logG= -0.030607 Density= 0.278205 ETOT(band)= 0.003738 trlgG= -0.032742 logG= -0.030607 TDE= -0.269269 logGD-logG0= -0.019416 tlogG= -0.010548 logG= -0.029964 Density= 0.272255 ETOT(band)= -0.001874 trlgG= -0.037456 logG= -0.029964 TDE= -0.268913 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009703 tlogG= -0.005243 logG= -0.014946 Density= 0.136874 ETOT(band)= -0.000135 trlgG= -0.017845 logG= -0.014946 TDE= -0.134326 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009685 tlogG= -0.005108 logG= -0.014793 Density= 0.136399 ETOT(band)= -0.000481 trlgG= -0.017949 logG= -0.014793 TDE= -0.134128 logGD-logG0= -0.004850 tlogG= -0.002640 logG= -0.007490 Density= 0.068627 ETOT(band)= 0.000063 trlgG= -0.008857 logG= -0.007490 TDE= -0.067263 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009693 tlogG= -0.005463 logG= -0.015155 Density= 0.135826 ETOT(band)= -0.001341 trlgG= -0.019189 logG= -0.015155 TDE= -0.134455 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002464 tlogG= -0.001860 logG= -0.004324 Density= 0.036961 ETOT(band)= 0.002607 trlgG= -0.002502 logG= -0.004324 TDE= -0.033668 logGD-logG0= -0.009437 tlogG= -0.008787 logG= -0.018224 logGD-logG0= -0.002361 tlogG= -0.002338 logG= -0.004699 Density= 0.034892 ETOT(band)= 0.000945 trlgG= -0.004390 logG= -0.004699 TDE= -0.033195 Density= 0.139482 ETOT(band)= 0.003719 trlgG= -0.016930 logG= -0.018224 TDE= -0.132637 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009488 tlogG= -0.007722 logG= -0.017210 Density= 0.138627 ETOT(band)= 0.002913 trlgG= -0.016666 logG= -0.017210 TDE= -0.132567 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009534 tlogG= -0.007375 logG= -0.016909 Density= 0.137603 ETOT(band)= 0.001642 trlgG= -0.017788 logG= -0.016909 TDE= -0.133006 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009553 tlogG= -0.007302 logG= -0.016855 Density= 0.141062 ETOT(band)= 0.005290 trlgG= -0.014236 logG= -0.016855 TDE= -0.132830 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009502 tlogG= -0.008406 logG= -0.017908 Density= 0.140928 ETOT(band)= 0.005090 trlgG= -0.015380 logG= -0.017908 TDE= -0.132791 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002409 tlogG= -0.001964 logG= -0.004373 Density= 0.035822 ETOT(band)= 0.001780 trlgG= -0.003254 logG= -0.004373 TDE= -0.033277 logGD-logG0= -0.009787 tlogG= -0.007157 logG= -0.016944 Density= 0.144966 ETOT(band)= 0.008466 trlgG= -0.011278 logG= -0.016944 TDE= -0.133531 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004736 tlogG= -0.004007 logG= -0.008743 Density= 0.069970 ETOT(band)= 0.002165 trlgG= -0.007816 logG= -0.008743 TDE= -0.066259 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009542 tlogG= -0.006858 logG= -0.016400 Density= 0.139410 ETOT(band)= 0.003959 trlgG= -0.015030 logG= -0.016400 TDE= -0.132492 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009468 tlogG= -0.007948 logG= -0.017416 Density= 0.138892 ETOT(band)= 0.003290 trlgG= -0.016542 logG= -0.017416 TDE= -0.132492 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009593 tlogG= -0.006324 logG= -0.015917 Density= 0.137429 ETOT(band)= 0.001664 trlgG= -0.017060 logG= -0.015917 TDE= -0.133103 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009707 tlogG= -0.005295 logG= -0.015002 Density= 0.133872 ETOT(band)= -0.001816 trlgG= -0.019592 logG= -0.015002 TDE= -0.133135 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018983 tlogG= -0.015708 logG= -0.034691 Density= 0.280532 ETOT(band)= 0.009173 trlgG= -0.030520 logG= -0.034691 TDE= -0.265198 logGD-logG0= -0.004828 tlogG= -0.002809 logG= -0.007637 Density= 0.068427 ETOT(band)= 0.000797 trlgG= -0.008225 logG= -0.007637 TDE= -0.066292 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019325 tlogG= -0.013185 logG= -0.032509 logGD-logG0= -0.009436 tlogG= -0.009018 logG= -0.018453 Density= 0.284848 ETOT(band)= 0.012820 trlgG= -0.025392 logG= -0.032509 TDE= -0.266396 Density= 0.139675 ETOT(band)= 0.003908 trlgG= -0.017037 logG= -0.018453 TDE= -0.132700 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009743 tlogG= -0.004981 logG= -0.014724 Density= 0.130907 ETOT(band)= -0.004575 trlgG= -0.022013 logG= -0.014724 TDE= -0.132986 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019094 tlogG= -0.013920 logG= -0.033014 Density= 0.277664 ETOT(band)= 0.006300 trlgG= -0.031802 logG= -0.033014 TDE= -0.265402 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009906 tlogG= -0.006691 logG= -0.016597 Density= 0.145836 ETOT(band)= 0.008918 trlgG= -0.010791 logG= -0.016597 TDE= -0.134226 logGD-logG0= -0.009598 tlogG= -0.007504 logG= -0.017101 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.142549 ETOT(band)= 0.006589 trlgG= -0.013183 logG= -0.017101 TDE= -0.132957 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009768 tlogG= -0.005668 logG= -0.015436 Density= 0.141483 ETOT(band)= 0.005405 trlgG= -0.013046 logG= -0.015436 TDE= -0.133462 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019264 tlogG= -0.011646 logG= -0.030910 Density= 0.276983 ETOT(band)= 0.005883 trlgG= -0.030686 logG= -0.030910 TDE= -0.265736 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009577 tlogG= -0.006641 logG= -0.016218 Density= 0.140882 ETOT(band)= 0.005359 trlgG= -0.013639 logG= -0.016218 TDE= -0.132697 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003136 tlogG= 0.069208 logG= 0.066073 Density= 0.045863 ETOT(band)= 0.000633 trlgG= 0.065864 logG= 0.066073 TDE= -0.044246 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002352 tlogG= 0.051926 logG= 0.049574 Density= 0.034461 ETOT(band)= 0.000525 trlgG= 0.049475 logG= 0.049574 TDE= -0.033188 logGD-logG0= -0.003146 tlogG= 0.069493 logG= 0.066347 Density= 0.046221 ETOT(band)= 0.000961 trlgG= 0.066493 logG= 0.066347 TDE= -0.044235 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009432 tlogG= 0.208496 logG= 0.199064 Density= 0.138633 ETOT(band)= 0.002914 trlgG= 0.199450 logG= 0.199064 TDE= -0.132729 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004708 tlogG= 0.104065 logG= 0.099356 Density= 0.069169 ETOT(band)= 0.001288 trlgG= 0.099406 logG= 0.099356 TDE= -0.066367 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009468 tlogG= 0.209197 logG= 0.199728 Density= 0.139146 ETOT(band)= 0.003451 trlgG= 0.200688 logG= 0.199728 TDE= -0.132649 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003165 tlogG= 0.069891 logG= 0.066725 Density= 0.046296 ETOT(band)= 0.001065 trlgG= 0.066991 logG= 0.066725 TDE= -0.044188 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.50720949463612 eV TrLogG= -14.0031462286049 eV Ratio to renormalize= 0.999999999876 rho-rho_expected= 0.000000001990 nargs= 1 argi=dmft2.def 13) Finished k-point number 14 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 45) Finished k-point number 46 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 0) Finished k-point number 1 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 56) Finished k-point number 57 1 with #bands= 18 63) Finished k-point number 64 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 102) Finished k-point number 103 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 77) Finished k-point number 78 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 93) Finished k-point number 94 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 94) Finished k-point number 95 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931346388884319 0.928027859006966 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 28) Finished k-point number 29 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 25) Finished k-point number 26 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 24) Finished k-point number 25 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 18) Finished k-point number 19 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 30) Finished k-point number 31 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 69) Finished k-point number 70 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 83) Finished k-point number 84 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0642525576187 Density= 16.0011603361396 16.0000000000000 EF 12.7921387255051 Density= 15.3625874364620 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96020494 0.94020494 0.116034E-02 -0.637413 1 0.96016860 0.94020494 0.161042E-03 -0.637413 2 0.96016274 0.96016860 -0.482521E-08 0.161042E-03 3 0.96016274 0.96016274 0.184741E-12 -0.482521E-08 Absolute convergence of |F(X)|. Difference in EF= -0.0005741133 EF set to : 13.0636784443 new EF (no-mixing): 13.0636784443 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001222 tlogG= -0.001242 logG= -0.002465 Density= 0.018971 ETOT(band)= 0.001226 trlgG= -0.001641 logG= -0.002465 TDE= -0.017391 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002437 tlogG= -0.002391 logG= -0.004827 Density= 0.037890 ETOT(band)= 0.002545 trlgG= -0.003092 logG= -0.004827 TDE= -0.034645 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009754 tlogG= -0.009478 logG= -0.019233 Density= 0.151660 ETOT(band)= 0.010059 trlgG= -0.012398 logG= -0.019233 TDE= -0.138784 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004873 tlogG= -0.004592 logG= -0.009465 Density= 0.075804 ETOT(band)= 0.005109 trlgG= -0.005970 logG= -0.009465 TDE= -0.069288 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002441 tlogG= -0.002067 logG= -0.004509 Density= 0.037416 ETOT(band)= 0.002555 trlgG= -0.002808 logG= -0.004509 TDE= -0.034225 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001595 tlogG= -0.001311 logG= -0.002906 Density= 0.022777 ETOT(band)= -0.000170 trlgG= -0.003521 logG= -0.002906 TDE= -0.022484 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009781 tlogG= -0.008015 logG= -0.017796 Density= 0.150477 ETOT(band)= 0.010392 trlgG= -0.010744 logG= -0.017796 TDE= -0.137430 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009803 tlogG= -0.006644 logG= -0.016447 Density= 0.143895 ETOT(band)= 0.005002 trlgG= -0.014621 logG= -0.016447 TDE= -0.136337 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009784 tlogG= -0.008621 logG= -0.018405 Density= 0.150693 ETOT(band)= 0.010489 trlgG= -0.011275 logG= -0.018405 TDE= -0.137559 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004893 tlogG= -0.004170 logG= -0.009063 Density= 0.075449 ETOT(band)= 0.005129 trlgG= -0.005611 logG= -0.009063 TDE= -0.068992 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019539 tlogG= -0.014690 logG= -0.034229 Density= 0.299023 ETOT(band)= 0.020698 trlgG= -0.020016 logG= -0.034229 TDE= -0.272898 logGD-logG0= -0.009755 tlogG= -0.007757 logG= -0.017512 Density= 0.149821 ETOT(band)= 0.010786 trlgG= -0.010031 logG= -0.017512 TDE= -0.136371 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019559 tlogG= -0.015810 logG= -0.035369 Density= 0.301115 ETOT(band)= 0.020716 trlgG= -0.021338 logG= -0.035369 TDE= -0.275088 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009795 tlogG= -0.008753 logG= -0.018548 Density= 0.151162 ETOT(band)= 0.010502 trlgG= -0.011363 logG= -0.018548 TDE= -0.137955 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009795 tlogG= -0.006596 logG= -0.016392 Density= 0.147191 ETOT(band)= 0.008347 trlgG= -0.011281 logG= -0.016392 TDE= -0.136217 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003183 tlogG= -0.002515 logG= -0.005698 Density= 0.045377 ETOT(band)= -0.000342 trlgG= -0.006970 logG= -0.005698 TDE= -0.044841 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003136 tlogG= -0.002593 logG= -0.005729 Density= 0.045893 ETOT(band)= 0.000585 trlgG= -0.005922 logG= -0.005729 TDE= -0.044258 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003165 tlogG= -0.002542 logG= -0.005707 Density= 0.045616 ETOT(band)= 0.000073 trlgG= -0.006491 logG= -0.005707 TDE= -0.044582 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009561 tlogG= -0.007424 logG= -0.016985 Density= 0.136752 ETOT(band)= -0.000693 trlgG= -0.020499 logG= -0.016985 TDE= -0.134819 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009552 tlogG= -0.007337 logG= -0.016889 Density= 0.136622 ETOT(band)= -0.000639 trlgG= -0.020364 logG= -0.016889 TDE= -0.134654 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009537 tlogG= -0.007262 logG= -0.016800 Density= 0.136672 ETOT(band)= -0.000242 trlgG= -0.019848 logG= -0.016800 TDE= -0.134276 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009480 tlogG= -0.007330 logG= -0.016811 Density= 0.137357 ETOT(band)= 0.001077 trlgG= -0.018294 logG= -0.016811 TDE= -0.133369 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009570 tlogG= -0.006628 logG= -0.016198 Density= 0.137899 ETOT(band)= 0.000715 trlgG= -0.018416 logG= -0.016198 TDE= -0.134624 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009861 tlogG= -0.007107 logG= -0.016968 Density= 0.147532 ETOT(band)= 0.009049 trlgG= -0.011183 logG= -0.016968 TDE= -0.135870 logGD-logG0= -0.009799 tlogG= -0.007520 logG= -0.017318 Density= 0.148856 ETOT(band)= 0.010646 trlgG= -0.009958 logG= -0.017318 TDE= -0.135565 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009542 tlogG= -0.006496 logG= -0.016037 Density= 0.137663 ETOT(band)= 0.000975 trlgG= -0.017940 logG= -0.016037 TDE= -0.134082 logGD-logG0= -0.009578 tlogG= -0.006594 logG= -0.016171 Density= 0.137846 ETOT(band)= 0.000743 trlgG= -0.018396 logG= -0.016171 TDE= -0.134579 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009665 tlogG= -0.006330 logG= -0.015995 Density= 0.140322 ETOT(band)= 0.003391 trlgG= -0.015410 logG= -0.015995 TDE= -0.134147 logGD-logG0= -0.009734 tlogG= -0.006546 logG= -0.016280 Density= 0.143579 ETOT(band)= 0.006836 trlgG= -0.012338 logG= -0.016280 TDE= -0.133916 logGD-logG0= -0.009834 tlogG= -0.006484 logG= -0.016318 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.142595 ETOT(band)= 0.004396 trlgG= -0.014979 logG= -0.016318 TDE= -0.135575 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004830 tlogG= -0.003081 logG= -0.007912 logGD-logG0= -0.004844 tlogG= -0.002555 logG= -0.007399 Density= 0.067564 ETOT(band)= -0.001268 trlgG= -0.010594 logG= -0.007912 TDE= -0.067554 Density= 0.065412 ETOT(band)= -0.002656 trlgG= -0.011329 logG= -0.007399 TDE= -0.066736 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009624 tlogG= -0.005911 logG= -0.015535 Density= 0.138076 ETOT(band)= 0.001006 trlgG= -0.017455 logG= -0.015535 TDE= -0.134495 logGD-logG0= -0.009565 tlogG= -0.006812 logG= -0.016377 Density= 0.138488 ETOT(band)= 0.001678 trlgG= -0.017414 logG= -0.016377 TDE= -0.134009 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009651 tlogG= -0.005597 logG= -0.015248 Density= 0.133687 ETOT(band)= -0.003181 trlgG= -0.021207 logG= -0.015248 TDE= -0.134320 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009511 tlogG= -0.006789 logG= -0.016300 Density= 0.139065 ETOT(band)= 0.002974 trlgG= -0.015936 logG= -0.016300 TDE= -0.133160 logGD-logG0= -0.009516 tlogG= -0.007297 logG= -0.016813 Density= 0.136908 ETOT(band)= 0.000170 trlgG= -0.019364 logG= -0.016813 TDE= -0.134005 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009669 tlogG= -0.005989 logG= -0.015658 Density= 0.135825 ETOT(band)= -0.001505 trlgG= -0.020005 logG= -0.015658 TDE= -0.134761 logGD-logG0= -0.009562 tlogG= -0.006824 logG= -0.016386 Density= 0.137505 ETOT(band)= 0.000256 trlgG= -0.019079 logG= -0.016386 TDE= -0.134720 logGD-logG0= -0.009605 tlogG= -0.005587 logG= -0.015192 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136824 ETOT(band)= 0.000290 trlgG= -0.017824 logG= -0.015192 TDE= -0.134006 logGD-logG0= -0.009641 tlogG= -0.006109 logG= -0.015750 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138674 ETOT(band)= 0.001571 trlgG= -0.017028 logG= -0.015750 TDE= -0.134427 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019721 tlogG= -0.012710 logG= -0.032432 Density= 0.285353 ETOT(band)= 0.008445 trlgG= -0.030209 logG= -0.032432 TDE= -0.271762 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009880 tlogG= -0.006490 logG= -0.016370 Density= 0.143180 ETOT(band)= 0.004442 trlgG= -0.015088 logG= -0.016370 TDE= -0.136195 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019326 tlogG= -0.010785 logG= -0.030111 Density= 0.271320 ETOT(band)= -0.002210 trlgG= -0.038096 logG= -0.030111 TDE= -0.268497 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019222 tlogG= -0.011905 logG= -0.031128 Density= 0.277913 ETOT(band)= 0.003987 trlgG= -0.033086 logG= -0.031128 TDE= -0.268800 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019114 tlogG= -0.013647 logG= -0.032762 logGD-logG0= -0.019478 tlogG= -0.012008 logG= -0.031486 Density= 0.281543 ETOT(band)= 0.006943 trlgG= -0.030503 logG= -0.031486 TDE= -0.269344 Density= 0.275187 ETOT(band)= 0.001146 trlgG= -0.037383 logG= -0.032762 TDE= -0.268845 logGD-logG0= -0.019240 tlogG= -0.012054 logG= -0.031294 Density= 0.278269 ETOT(band)= 0.004044 trlgG= -0.033238 logG= -0.031294 TDE= -0.269127 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019221 tlogG= -0.012205 logG= -0.031427 Density= 0.278090 ETOT(band)= 0.004454 trlgG= -0.032758 logG= -0.031427 TDE= -0.268343 logGD-logG0= -0.019422 tlogG= -0.010115 logG= -0.029537 Density= 0.264259 ETOT(band)= -0.008170 trlgG= -0.043187 logG= -0.029537 TDE= -0.267382 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019344 tlogG= -0.011393 logG= -0.030738 logGD-logG0= -0.004924 tlogG= -0.003555 logG= -0.008479 Density= 0.275405 ETOT(band)= 0.001197 trlgG= -0.035288 logG= -0.030738 TDE= -0.268984 Density= 0.074731 ETOT(band)= 0.004981 trlgG= -0.005130 logG= -0.008479 TDE= -0.068406 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019146 tlogG= -0.011584 logG= -0.030730 Density= 0.276482 ETOT(band)= 0.003875 trlgG= -0.032608 logG= -0.030730 TDE= -0.267345 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000391 tlogG= 0.008635 logG= 0.008243 Density= 0.005718 ETOT(band)= 0.000063 trlgG= 0.008203 logG= 0.008243 TDE= -0.005531 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019043 tlogG= -0.013690 logG= -0.032732 Density= 0.275864 ETOT(band)= 0.002984 trlgG= -0.035123 logG= -0.032732 TDE= -0.267265 logGD-logG0= -0.019440 tlogG= -0.010402 logG= -0.029843 Density= 0.278034 ETOT(band)= 0.004543 trlgG= -0.031126 logG= -0.029843 TDE= -0.268241 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019153 tlogG= -0.012297 logG= -0.031450 logGD-logG0= -0.019763 tlogG= -0.012699 logG= -0.032462 Density= 0.289716 ETOT(band)= 0.014963 trlgG= -0.023590 logG= -0.032462 TDE= -0.269303 Density= 0.278960 ETOT(band)= 0.006471 trlgG= -0.030583 logG= -0.031450 TDE= -0.266981 logGD-logG0= -0.009678 tlogG= -0.005428 logG= -0.015106 Density= 0.132996 ETOT(band)= -0.003827 trlgG= -0.021649 logG= -0.015106 TDE= -0.134241 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009757 tlogG= -0.004845 logG= -0.014601 Density= 0.131154 ETOT(band)= -0.005050 trlgG= -0.022375 logG= -0.014601 TDE= -0.133703 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009745 tlogG= -0.005172 logG= -0.014917 Density= 0.139920 ETOT(band)= 0.002876 trlgG= -0.015011 logG= -0.014917 TDE= -0.134439 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019363 tlogG= -0.011618 logG= -0.030981 Density= 0.270015 ETOT(band)= -0.004682 trlgG= -0.041356 logG= -0.030981 TDE= -0.269633 logGD-logG0= -0.019582 tlogG= -0.011853 logG= -0.031436 Density= 0.280361 ETOT(band)= 0.004498 trlgG= -0.032993 logG= -0.031436 TDE= -0.270750 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019377 tlogG= -0.010480 logG= -0.029857 Density= 0.274720 ETOT(band)= 0.002213 trlgG= -0.033397 logG= -0.029857 TDE= -0.267315 logGD-logG0= -0.019519 tlogG= -0.011086 logG= -0.030605 Density= 0.278194 ETOT(band)= 0.003717 trlgG= -0.032760 logG= -0.030605 TDE= -0.269267 logGD-logG0= -0.019463 tlogG= -0.010026 logG= -0.029490 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.267180 ETOT(band)= -0.006131 trlgG= -0.041145 logG= -0.029490 TDE= -0.268191 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009899 tlogG= -0.005947 logG= -0.015846 Density= 0.144024 ETOT(band)= 0.006428 trlgG= -0.012454 logG= -0.015846 TDE= -0.134895 logGD-logG0= -0.019415 tlogG= -0.010546 logG= -0.029961 Density= 0.272253 ETOT(band)= -0.001888 trlgG= -0.037465 logG= -0.029961 TDE= -0.268911 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009691 tlogG= -0.005461 logG= -0.015153 Density= 0.135828 ETOT(band)= -0.001345 trlgG= -0.019190 logG= -0.015153 TDE= -0.134454 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009703 tlogG= -0.005243 logG= -0.014946 Density= 0.136873 ETOT(band)= -0.000141 trlgG= -0.017851 logG= -0.014946 TDE= -0.134325 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009683 tlogG= -0.005107 logG= -0.014790 Density= 0.136400 ETOT(band)= -0.000487 trlgG= -0.017951 logG= -0.014790 TDE= -0.134127 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004850 tlogG= -0.002640 logG= -0.007490 Density= 0.068627 ETOT(band)= 0.000060 trlgG= -0.008860 logG= -0.007490 TDE= -0.067263 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009437 tlogG= -0.008788 logG= -0.018225 Density= 0.139482 ETOT(band)= 0.003714 trlgG= -0.016935 logG= -0.018225 TDE= -0.132636 logGD-logG0= -0.002464 tlogG= -0.001860 logG= -0.004324 Density= 0.036962 ETOT(band)= 0.002606 trlgG= -0.002502 logG= -0.004324 TDE= -0.033668 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002361 tlogG= -0.002338 logG= -0.004699 Density= 0.034892 ETOT(band)= 0.000944 trlgG= -0.004391 logG= -0.004699 TDE= -0.033194 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009533 tlogG= -0.007375 logG= -0.016908 Density= 0.137605 ETOT(band)= 0.001637 trlgG= -0.017791 logG= -0.016908 TDE= -0.133006 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004736 tlogG= -0.004008 logG= -0.008744 Density= 0.069971 ETOT(band)= 0.002163 trlgG= -0.007819 logG= -0.008744 TDE= -0.066258 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009469 tlogG= -0.007950 logG= -0.017419 logGD-logG0= -0.009786 tlogG= -0.007157 logG= -0.016943 Density= 0.138894 ETOT(band)= 0.003286 trlgG= -0.016549 logG= -0.017419 TDE= -0.132491 Density= 0.144965 ETOT(band)= 0.008459 trlgG= -0.011283 logG= -0.016943 TDE= -0.133530 logGD-logG0= -0.009542 tlogG= -0.006858 logG= -0.016400 Density= 0.139411 ETOT(band)= 0.003955 trlgG= -0.015034 logG= -0.016400 TDE= -0.132492 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002409 tlogG= -0.001964 logG= -0.004373 Density= 0.035821 ETOT(band)= 0.001778 trlgG= -0.003255 logG= -0.004373 TDE= -0.033277 logGD-logG0= -0.009501 tlogG= -0.008406 logG= -0.017907 Density= 0.140928 ETOT(band)= 0.005084 trlgG= -0.015384 logG= -0.017907 TDE= -0.132790 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009553 tlogG= -0.007301 logG= -0.016855 Density= 0.141062 ETOT(band)= 0.005285 trlgG= -0.014241 logG= -0.016855 TDE= -0.132829 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009707 tlogG= -0.005295 logG= -0.015002 Density= 0.133874 ETOT(band)= -0.001820 trlgG= -0.019595 logG= -0.015002 TDE= -0.133134 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009592 tlogG= -0.006324 logG= -0.015916 Density= 0.137431 ETOT(band)= 0.001659 trlgG= -0.017062 logG= -0.015916 TDE= -0.133103 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019324 tlogG= -0.013185 logG= -0.032510 Density= 0.284846 ETOT(band)= 0.012807 trlgG= -0.025404 logG= -0.032510 TDE= -0.266393 logGD-logG0= -0.009488 tlogG= -0.007723 logG= -0.017211 Density= 0.138628 ETOT(band)= 0.002908 trlgG= -0.016671 logG= -0.017211 TDE= -0.132566 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018983 tlogG= -0.015708 logG= -0.034691 Density= 0.280533 ETOT(band)= 0.009162 trlgG= -0.030529 logG= -0.034691 TDE= -0.265196 logGD-logG0= -0.004829 tlogG= -0.002810 logG= -0.007639 Density= 0.068422 ETOT(band)= 0.000790 trlgG= -0.008234 logG= -0.007639 TDE= -0.066291 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009436 tlogG= -0.009018 logG= -0.018454 Density= 0.139675 ETOT(band)= 0.003903 trlgG= -0.017042 logG= -0.018454 TDE= -0.132699 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009743 tlogG= -0.004983 logG= -0.014727 Density= 0.130904 ETOT(band)= -0.004583 trlgG= -0.022023 logG= -0.014727 TDE= -0.132985 logGD-logG0= -0.009906 tlogG= -0.006691 logG= -0.016597 Density= 0.145836 ETOT(band)= 0.008913 trlgG= -0.010795 logG= -0.016597 TDE= -0.134225 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009598 tlogG= -0.007504 logG= -0.017102 Density= 0.142548 ETOT(band)= 0.006583 trlgG= -0.013189 logG= -0.017102 TDE= -0.132956 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019262 tlogG= -0.011639 logG= -0.030901 Density= 0.276971 ETOT(band)= 0.005859 trlgG= -0.030697 logG= -0.030901 TDE= -0.265734 logGD-logG0= -0.009768 tlogG= -0.005668 logG= -0.015436 logGD-logG0= -0.019093 tlogG= -0.013920 logG= -0.033013 Density= 0.141481 ETOT(band)= 0.005398 trlgG= -0.013053 logG= -0.015436 TDE= -0.133461 Density= 0.277665 ETOT(band)= 0.006290 trlgG= -0.031810 logG= -0.033013 TDE= -0.265401 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009577 tlogG= -0.006641 logG= -0.016218 Density= 0.140882 ETOT(band)= 0.005353 trlgG= -0.013645 logG= -0.016218 TDE= -0.132696 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003166 tlogG= 0.069887 logG= 0.066722 Density= 0.046296 ETOT(band)= 0.001064 trlgG= 0.066986 logG= 0.066722 TDE= -0.044188 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003146 tlogG= 0.069489 logG= 0.066343 Density= 0.046221 ETOT(band)= 0.000960 trlgG= 0.066488 logG= 0.066343 TDE= -0.044235 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003136 tlogG= 0.069205 logG= 0.066070 Density= 0.045864 ETOT(band)= 0.000631 trlgG= 0.065860 logG= 0.066070 TDE= -0.044246 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009432 tlogG= 0.208486 logG= 0.199053 Density= 0.138634 ETOT(band)= 0.002909 trlgG= 0.199436 logG= 0.199053 TDE= -0.132728 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004708 tlogG= 0.104060 logG= 0.099352 Density= 0.069170 ETOT(band)= 0.001285 trlgG= 0.099400 logG= 0.099352 TDE= -0.066367 logGD-logG0= -0.002352 tlogG= 0.051923 logG= 0.049571 Density= 0.034461 ETOT(band)= 0.000524 trlgG= 0.049472 logG= 0.049571 TDE= -0.033188 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009469 tlogG= 0.209185 logG= 0.199716 Density= 0.139147 ETOT(band)= 0.003447 trlgG= 0.200671 logG= 0.199716 TDE= -0.132648 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.49861349850674 eV TrLogG= -14.0114774651628 eV Ratio to renormalize= 0.999999999718 rho-rho_expected= 0.000000004519 nargs= 1 argi=dmft2.def 14) Finished k-point number 15 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 33) Finished k-point number 34 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 42) Finished k-point number 43 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 43) Finished k-point number 44 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 46) Finished k-point number 47 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 103) Finished k-point number 104 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 77) Finished k-point number 78 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 80) Finished k-point number 81 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 84) Finished k-point number 85 1 with #bands= 20 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 95) Finished k-point number 96 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 86) Finished k-point number 87 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931387756178876 0.928064903529141 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 7) Finished k-point number 8 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 6) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 15) Finished k-point number 16 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 11) Finished k-point number 12 1 with #bands= 24 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 79) Finished k-point number 80 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 3) Finished k-point number 4 1 with #bands= 26 84) Finished k-point number 85 1 with #bands= 20 9) Finished k-point number 10 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 85) Finished k-point number 86 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0636784443298 Density= 16.0007949805792 16.0000000000000 EF 12.7915646122163 Density= 15.3622834233102 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96016274 0.94016274 0.794981E-03 -0.637717 1 0.96013784 0.94016274 0.110426E-03 -0.637717 2 0.96013382 0.96013784 -0.225637E-08 0.110426E-03 3 0.96013382 0.96013382 0.493333E-09 -0.225637E-08 4 0.96013382 0.96013382 -0.225637E-08 0.493333E-09 5 0.96013382 0.96013382 -0.225637E-08 0.493333E-09 Absolute convergence of the X interval. Difference in EF= -0.0003934381 EF set to : 13.0632850062 new EF (no-mixing): 13.0632850062 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001222 tlogG= -0.001242 logG= -0.002465 Density= 0.018971 ETOT(band)= 0.001226 trlgG= -0.001641 logG= -0.002465 TDE= -0.017391 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002437 tlogG= -0.002391 logG= -0.004827 Density= 0.037890 ETOT(band)= 0.002544 trlgG= -0.003092 logG= -0.004827 TDE= -0.034645 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009754 tlogG= -0.009479 logG= -0.019233 Density= 0.151663 ETOT(band)= 0.010058 trlgG= -0.012399 logG= -0.019233 TDE= -0.138783 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004873 tlogG= -0.004592 logG= -0.009465 Density= 0.075805 ETOT(band)= 0.005108 trlgG= -0.005970 logG= -0.009465 TDE= -0.069288 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002441 tlogG= -0.002067 logG= -0.004509 Density= 0.037417 ETOT(band)= 0.002555 trlgG= -0.002808 logG= -0.004509 TDE= -0.034224 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009780 tlogG= -0.008015 logG= -0.017795 Density= 0.150480 ETOT(band)= 0.010391 trlgG= -0.010743 logG= -0.017795 TDE= -0.137429 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009803 tlogG= -0.006644 logG= -0.016447 Density= 0.143891 ETOT(band)= 0.004994 trlgG= -0.014628 logG= -0.016447 TDE= -0.136336 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009784 tlogG= -0.008620 logG= -0.018404 Density= 0.150694 ETOT(band)= 0.010487 trlgG= -0.011276 logG= -0.018404 TDE= -0.137558 logGD-logG0= -0.004893 tlogG= -0.004170 logG= -0.009063 Density= 0.075452 ETOT(band)= 0.005130 trlgG= -0.005611 logG= -0.009063 TDE= -0.068992 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001595 tlogG= -0.001311 logG= -0.002906 Density= 0.022777 ETOT(band)= -0.000171 trlgG= -0.003521 logG= -0.002906 TDE= -0.022484 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009795 tlogG= -0.008753 logG= -0.018548 Density= 0.151165 ETOT(band)= 0.010501 trlgG= -0.011363 logG= -0.018548 TDE= -0.137954 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019539 tlogG= -0.014689 logG= -0.034228 Density= 0.299029 ETOT(band)= 0.020696 trlgG= -0.020016 logG= -0.034228 TDE= -0.272896 logGD-logG0= -0.009755 tlogG= -0.007756 logG= -0.017512 Density= 0.149824 ETOT(band)= 0.010785 trlgG= -0.010031 logG= -0.017512 TDE= -0.136370 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019559 tlogG= -0.015806 logG= -0.035366 Density= 0.301122 ETOT(band)= 0.020715 trlgG= -0.021335 logG= -0.035366 TDE= -0.275086 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009795 tlogG= -0.006596 logG= -0.016392 Density= 0.147193 ETOT(band)= 0.008344 trlgG= -0.011283 logG= -0.016392 TDE= -0.136216 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003136 tlogG= -0.002593 logG= -0.005729 Density= 0.045893 ETOT(band)= 0.000584 trlgG= -0.005923 logG= -0.005729 TDE= -0.044257 logGD-logG0= -0.003183 tlogG= -0.002517 logG= -0.005700 Density= 0.045378 ETOT(band)= -0.000341 trlgG= -0.006971 logG= -0.005700 TDE= -0.044841 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009553 tlogG= -0.007341 logG= -0.016894 Density= 0.136624 ETOT(band)= -0.000640 trlgG= -0.020370 logG= -0.016894 TDE= -0.134654 logGD-logG0= -0.003165 tlogG= -0.002542 logG= -0.005707 Density= 0.045617 ETOT(band)= 0.000073 trlgG= -0.006491 logG= -0.005707 TDE= -0.044582 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009560 tlogG= -0.007423 logG= -0.016983 Density= 0.136753 ETOT(band)= -0.000696 trlgG= -0.020500 logG= -0.016983 TDE= -0.134818 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009537 tlogG= -0.007264 logG= -0.016802 Density= 0.136674 ETOT(band)= -0.000244 trlgG= -0.019852 logG= -0.016802 TDE= -0.134275 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009570 tlogG= -0.006630 logG= -0.016199 Density= 0.137898 ETOT(band)= 0.000711 trlgG= -0.018421 logG= -0.016199 TDE= -0.134623 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009861 tlogG= -0.007106 logG= -0.016967 logGD-logG0= -0.009481 tlogG= -0.007330 logG= -0.016811 Density= 0.137358 ETOT(band)= 0.001075 trlgG= -0.018296 logG= -0.016811 TDE= -0.133368 Density= 0.147533 ETOT(band)= 0.009046 trlgG= -0.011185 logG= -0.016967 TDE= -0.135869 logGD-logG0= -0.009542 tlogG= -0.006496 logG= -0.016038 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137663 ETOT(band)= 0.000972 trlgG= -0.017944 logG= -0.016038 TDE= -0.134081 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009516 tlogG= -0.007296 logG= -0.016811 Density= 0.136909 ETOT(band)= 0.000167 trlgG= -0.019365 logG= -0.016811 TDE= -0.134004 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009799 tlogG= -0.007520 logG= -0.017318 Density= 0.148859 ETOT(band)= 0.010645 trlgG= -0.009958 logG= -0.017318 TDE= -0.135564 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009834 tlogG= -0.006484 logG= -0.016318 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.142593 ETOT(band)= 0.004391 trlgG= -0.014983 logG= -0.016318 TDE= -0.135574 logGD-logG0= -0.009665 tlogG= -0.006330 logG= -0.015995 Density= 0.140320 ETOT(band)= 0.003385 trlgG= -0.015415 logG= -0.015995 TDE= -0.134146 logGD-logG0= -0.009578 tlogG= -0.006593 logG= -0.016171 Density= 0.137847 ETOT(band)= 0.000740 trlgG= -0.018398 logG= -0.016171 TDE= -0.134579 logGD-logG0= -0.004830 tlogG= -0.003081 logG= -0.007911 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.067565 ETOT(band)= -0.001268 trlgG= -0.010593 logG= -0.007911 TDE= -0.067554 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009565 tlogG= -0.006812 logG= -0.016377 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138489 ETOT(band)= 0.001674 trlgG= -0.017417 logG= -0.016377 TDE= -0.134008 logGD-logG0= -0.009625 tlogG= -0.005911 logG= -0.015536 Density= 0.138077 ETOT(band)= 0.001004 trlgG= -0.017457 logG= -0.015536 TDE= -0.134494 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009734 tlogG= -0.006548 logG= -0.016282 Density= 0.143578 ETOT(band)= 0.006830 trlgG= -0.012344 logG= -0.016282 TDE= -0.133916 logGD-logG0= -0.009641 tlogG= -0.006110 logG= -0.015751 Density= 0.138674 ETOT(band)= 0.001567 trlgG= -0.017032 logG= -0.015751 TDE= -0.134426 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009512 tlogG= -0.006789 logG= -0.016301 Density= 0.139065 ETOT(band)= 0.002971 trlgG= -0.015940 logG= -0.016301 TDE= -0.133160 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009562 tlogG= -0.006825 logG= -0.016387 Density= 0.137507 ETOT(band)= 0.000254 trlgG= -0.019081 logG= -0.016387 TDE= -0.134720 logGD-logG0= -0.004844 tlogG= -0.002559 logG= -0.007403 logGD-logG0= -0.009606 tlogG= -0.005591 logG= -0.015196 Density= 0.136825 ETOT(band)= 0.000287 trlgG= -0.017832 logG= -0.015196 TDE= -0.134005 Density= 0.065405 ETOT(band)= -0.002664 trlgG= -0.011341 logG= -0.007403 TDE= -0.066735 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009669 tlogG= -0.005987 logG= -0.015656 Density= 0.135826 ETOT(band)= -0.001508 trlgG= -0.020006 logG= -0.015656 TDE= -0.134761 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009651 tlogG= -0.005598 logG= -0.015249 Density= 0.133686 ETOT(band)= -0.003185 trlgG= -0.021212 logG= -0.015249 TDE= -0.134320 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019222 tlogG= -0.011906 logG= -0.031127 Density= 0.277913 ETOT(band)= 0.003979 trlgG= -0.033092 logG= -0.031127 TDE= -0.268798 logGD-logG0= -0.019721 tlogG= -0.012709 logG= -0.032430 logGD-logG0= -0.009880 tlogG= -0.006490 logG= -0.016371 Density= 0.143179 ETOT(band)= 0.004437 trlgG= -0.015094 logG= -0.016371 TDE= -0.136194 Density= 0.285344 ETOT(band)= 0.008430 trlgG= -0.030222 logG= -0.032430 TDE= -0.271761 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019112 tlogG= -0.013644 logG= -0.032756 Density= 0.275189 ETOT(band)= 0.001138 trlgG= -0.037382 logG= -0.032756 TDE= -0.268844 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019328 tlogG= -0.010789 logG= -0.030117 Density= 0.271332 ETOT(band)= -0.002203 trlgG= -0.038097 logG= -0.030117 TDE= -0.268495 logGD-logG0= -0.019151 tlogG= -0.012296 logG= -0.031447 Density= 0.278957 ETOT(band)= 0.006459 trlgG= -0.030590 logG= -0.031447 TDE= -0.266979 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019478 tlogG= -0.012009 logG= -0.031487 Density= 0.281533 ETOT(band)= 0.006927 trlgG= -0.030520 logG= -0.031487 TDE= -0.269343 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019240 tlogG= -0.012055 logG= -0.031296 Density= 0.278269 ETOT(band)= 0.004037 trlgG= -0.033246 logG= -0.031296 TDE= -0.269126 logGD-logG0= -0.004924 tlogG= -0.003555 logG= -0.008478 Density= 0.074732 ETOT(band)= 0.004980 trlgG= -0.005131 logG= -0.008478 TDE= -0.068405 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000391 tlogG= 0.008635 logG= 0.008243 logGD-logG0= -0.019345 tlogG= -0.011397 logG= -0.030741 Density= 0.275400 ETOT(band)= 0.001185 trlgG= -0.035303 logG= -0.030741 TDE= -0.268983 Density= 0.005718 ETOT(band)= 0.000063 trlgG= 0.008202 logG= 0.008243 TDE= -0.005531 logGD-logG0= -0.009678 tlogG= -0.005425 logG= -0.015103 Density= 0.132993 ETOT(band)= -0.003833 trlgG= -0.021652 logG= -0.015103 TDE= -0.134240 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019763 tlogG= -0.012700 logG= -0.032463 logGD-logG0= -0.019422 tlogG= -0.010116 logG= -0.029538 Density= 0.264257 ETOT(band)= -0.008180 trlgG= -0.043197 logG= -0.029538 TDE= -0.267381 Density= 0.289729 ETOT(band)= 0.014968 trlgG= -0.023586 logG= -0.032463 TDE= -0.269301 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019221 tlogG= -0.012205 logG= -0.031425 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.278090 ETOT(band)= 0.004446 trlgG= -0.032764 logG= -0.031425 TDE= -0.268342 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019439 tlogG= -0.010404 logG= -0.029843 Density= 0.278049 ETOT(band)= 0.004550 trlgG= -0.031118 logG= -0.029843 TDE= -0.268240 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019045 tlogG= -0.013692 logG= -0.032736 Density= 0.275865 ETOT(band)= 0.002978 trlgG= -0.035133 logG= -0.032736 TDE= -0.267264 logGD-logG0= -0.009755 tlogG= -0.004844 logG= -0.014599 Density= 0.131152 ETOT(band)= -0.005057 trlgG= -0.022378 logG= -0.014599 TDE= -0.133703 logGD-logG0= -0.019145 tlogG= -0.011583 logG= -0.030727 Density= 0.276474 ETOT(band)= 0.003859 trlgG= -0.032619 logG= -0.030727 TDE= -0.267344 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009745 tlogG= -0.005173 logG= -0.014918 Density= 0.139921 ETOT(band)= 0.002874 trlgG= -0.015014 logG= -0.014918 TDE= -0.134438 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019363 tlogG= -0.011618 logG= -0.030981 logGD-logG0= -0.019415 tlogG= -0.010550 logG= -0.029965 Density= 0.272253 ETOT(band)= -0.001895 trlgG= -0.037475 logG= -0.029965 TDE= -0.268910 Density= 0.270016 ETOT(band)= -0.004690 trlgG= -0.041363 logG= -0.030981 TDE= -0.269632 logGD-logG0= -0.019582 tlogG= -0.011854 logG= -0.031436 Density= 0.280359 ETOT(band)= 0.004489 trlgG= -0.033001 logG= -0.031436 TDE= -0.270748 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009899 tlogG= -0.005947 logG= -0.015846 Density= 0.144023 ETOT(band)= 0.006423 trlgG= -0.012459 logG= -0.015846 TDE= -0.134894 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019375 tlogG= -0.010483 logG= -0.029859 Density= 0.274731 ETOT(band)= 0.002217 trlgG= -0.033394 logG= -0.029859 TDE= -0.267314 logGD-logG0= -0.019519 tlogG= -0.011085 logG= -0.030603 Density= 0.278183 ETOT(band)= 0.003699 trlgG= -0.032776 logG= -0.030603 TDE= -0.269266 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009691 tlogG= -0.005461 logG= -0.015152 Density= 0.135828 ETOT(band)= -0.001349 trlgG= -0.019192 logG= -0.015152 TDE= -0.134453 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019465 tlogG= -0.010023 logG= -0.029488 Density= 0.267129 ETOT(band)= -0.006188 trlgG= -0.041198 logG= -0.029488 TDE= -0.268190 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009683 tlogG= -0.005107 logG= -0.014790 Density= 0.136401 ETOT(band)= -0.000490 trlgG= -0.017954 logG= -0.014790 TDE= -0.134126 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009703 tlogG= -0.005243 logG= -0.014946 Density= 0.136873 ETOT(band)= -0.000145 trlgG= -0.017855 logG= -0.014946 TDE= -0.134324 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004850 tlogG= -0.002641 logG= -0.007490 Density= 0.068627 ETOT(band)= 0.000058 trlgG= -0.008862 logG= -0.007490 TDE= -0.067263 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002361 tlogG= -0.002338 logG= -0.004699 Density= 0.034892 ETOT(band)= 0.000943 trlgG= -0.004392 logG= -0.004699 TDE= -0.033194 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002464 tlogG= -0.001860 logG= -0.004324 Density= 0.036962 ETOT(band)= 0.002605 trlgG= -0.002503 logG= -0.004324 TDE= -0.033668 logGD-logG0= -0.009487 tlogG= -0.007722 logG= -0.017210 Density= 0.138629 ETOT(band)= 0.002905 trlgG= -0.016673 logG= -0.017210 TDE= -0.132565 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009437 tlogG= -0.008788 logG= -0.018225 Density= 0.139483 ETOT(band)= 0.003711 trlgG= -0.016938 logG= -0.018225 TDE= -0.132635 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009469 tlogG= -0.007951 logG= -0.017421 Density= 0.138894 ETOT(band)= 0.003283 trlgG= -0.016554 logG= -0.017421 TDE= -0.132491 logGD-logG0= -0.009534 tlogG= -0.007376 logG= -0.016909 Density= 0.137606 ETOT(band)= 0.001634 trlgG= -0.017795 logG= -0.016909 TDE= -0.133005 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009501 tlogG= -0.008406 logG= -0.017907 Density= 0.140928 ETOT(band)= 0.005081 trlgG= -0.015387 logG= -0.017907 TDE= -0.132790 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009786 tlogG= -0.007157 logG= -0.016944 Density= 0.144965 ETOT(band)= 0.008455 trlgG= -0.011287 logG= -0.016944 TDE= -0.133529 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002409 tlogG= -0.001964 logG= -0.004373 Density= 0.035821 ETOT(band)= 0.001777 trlgG= -0.003256 logG= -0.004373 TDE= -0.033277 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004735 tlogG= -0.004007 logG= -0.008742 Density= 0.069971 ETOT(band)= 0.002161 trlgG= -0.007819 logG= -0.008742 TDE= -0.066258 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009541 tlogG= -0.006856 logG= -0.016397 Density= 0.139412 ETOT(band)= 0.003952 trlgG= -0.015034 logG= -0.016397 TDE= -0.132491 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009707 tlogG= -0.005296 logG= -0.015003 Density= 0.133868 ETOT(band)= -0.001830 trlgG= -0.019605 logG= -0.015003 TDE= -0.133134 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009592 tlogG= -0.006325 logG= -0.015917 Density= 0.137434 ETOT(band)= 0.001658 trlgG= -0.017063 logG= -0.015917 TDE= -0.133102 logGD-logG0= -0.009553 tlogG= -0.007301 logG= -0.016854 Density= 0.141063 ETOT(band)= 0.005281 trlgG= -0.014243 logG= -0.016854 TDE= -0.132828 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004828 tlogG= -0.002810 logG= -0.007638 Density= 0.068430 ETOT(band)= 0.000796 trlgG= -0.008227 logG= -0.007638 TDE= -0.066291 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018983 tlogG= -0.015708 logG= -0.034691 Density= 0.280534 ETOT(band)= 0.009154 trlgG= -0.030536 logG= -0.034691 TDE= -0.265195 logGD-logG0= -0.009906 tlogG= -0.006691 logG= -0.016597 Density= 0.145837 ETOT(band)= 0.008910 trlgG= -0.010798 logG= -0.016597 TDE= -0.134224 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009436 tlogG= -0.009018 logG= -0.018454 Density= 0.139676 ETOT(band)= 0.003899 trlgG= -0.017045 logG= -0.018454 TDE= -0.132699 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019324 tlogG= -0.013184 logG= -0.032508 Density= 0.284845 ETOT(band)= 0.012799 trlgG= -0.025410 logG= -0.032508 TDE= -0.266392 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009598 tlogG= -0.007504 logG= -0.017102 Density= 0.142548 ETOT(band)= 0.006579 trlgG= -0.013193 logG= -0.017102 TDE= -0.132956 logGD-logG0= -0.009768 tlogG= -0.005668 logG= -0.015436 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.141478 ETOT(band)= 0.005392 trlgG= -0.013058 logG= -0.015436 TDE= -0.133460 logGD-logG0= -0.009743 tlogG= -0.004982 logG= -0.014725 Density= 0.130897 ETOT(band)= -0.004594 trlgG= -0.022032 logG= -0.014725 TDE= -0.132985 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019093 tlogG= -0.013920 logG= -0.033014 Density= 0.277666 ETOT(band)= 0.006283 trlgG= -0.031817 logG= -0.033014 TDE= -0.265400 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019262 tlogG= -0.011639 logG= -0.030901 Density= 0.276973 ETOT(band)= 0.005853 trlgG= -0.030703 logG= -0.030901 TDE= -0.265733 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009579 tlogG= -0.006643 logG= -0.016222 Density= 0.140884 ETOT(band)= 0.005354 trlgG= -0.013649 logG= -0.016222 TDE= -0.132695 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003146 tlogG= 0.069487 logG= 0.066341 Density= 0.046221 ETOT(band)= 0.000959 trlgG= 0.066485 logG= 0.066341 TDE= -0.044235 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002352 tlogG= 0.051922 logG= 0.049569 Density= 0.034462 ETOT(band)= 0.000524 trlgG= 0.049470 logG= 0.049569 TDE= -0.033188 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003135 tlogG= 0.069203 logG= 0.066068 Density= 0.045864 ETOT(band)= 0.000630 trlgG= 0.065857 logG= 0.066068 TDE= -0.044246 logGD-logG0= -0.009432 tlogG= 0.208479 logG= 0.199047 Density= 0.138635 ETOT(band)= 0.002906 trlgG= 0.199426 logG= 0.199047 TDE= -0.132728 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004708 tlogG= 0.104057 logG= 0.099349 Density= 0.069170 ETOT(band)= 0.001284 trlgG= 0.099395 logG= 0.099349 TDE= -0.066367 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009469 tlogG= 0.209180 logG= 0.199711 Density= 0.139147 ETOT(band)= 0.003442 trlgG= 0.200662 logG= 0.199711 TDE= -0.132648 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003165 tlogG= 0.069885 logG= 0.066720 Density= 0.046296 ETOT(band)= 0.001062 trlgG= 0.066983 logG= 0.066720 TDE= -0.044187 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.49266288228999 eV TrLogG= -14.0172592873925 eV Ratio to renormalize= 0.999999999859 rho-rho_expected= 0.000000002263 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 49) Finished k-point number 50 1 with #bands= 20 96) Finished k-point number 97 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 58) Finished k-point number 59 1 with #bands= 24 55) Finished k-point number 56 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 65) Finished k-point number 66 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 94) Finished k-point number 95 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 91) Finished k-point number 92 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931407905457362 0.928020843003596 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 35) Finished k-point number 36 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 89) Finished k-point number 90 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 32) Finished k-point number 33 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 103) Finished k-point number 104 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0632850061924 Density= 16.0001447239149 16.0000000000000 EF 12.7911711740789 Density= 15.3613713725032 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96013382 0.94013382 0.144724E-03 -0.638629 1 0.96012929 0.94013382 0.201100E-04 -0.638629 2 0.96012856 0.96012929 -0.754472E-10 0.201100E-04 Absolute convergence of |F(X)|. Difference in EF= -0.0000716005 EF set to : 13.0632134057 new EF (no-mixing): 13.0632134057 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001222 tlogG= -0.001242 logG= -0.002465 Density= 0.018971 ETOT(band)= 0.001226 trlgG= -0.001641 logG= -0.002465 TDE= -0.017391 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009754 tlogG= -0.009478 logG= -0.019232 Density= 0.151663 ETOT(band)= 0.010058 trlgG= -0.012399 logG= -0.019232 TDE= -0.138782 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002437 tlogG= -0.002391 logG= -0.004827 Density= 0.037890 ETOT(band)= 0.002544 trlgG= -0.003092 logG= -0.004827 TDE= -0.034645 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004873 tlogG= -0.004592 logG= -0.009465 Density= 0.075805 ETOT(band)= 0.005108 trlgG= -0.005970 logG= -0.009465 TDE= -0.069288 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002441 tlogG= -0.002067 logG= -0.004509 Density= 0.037417 ETOT(band)= 0.002555 trlgG= -0.002808 logG= -0.004509 TDE= -0.034224 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009780 tlogG= -0.008015 logG= -0.017795 logGD-logG0= -0.009784 tlogG= -0.008621 logG= -0.018405 Density= 0.150696 ETOT(band)= 0.010487 trlgG= -0.011275 logG= -0.018405 TDE= -0.137558 Density= 0.150480 ETOT(band)= 0.010391 trlgG= -0.010744 logG= -0.017795 TDE= -0.137429 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009803 tlogG= -0.006644 logG= -0.016447 Density= 0.143886 ETOT(band)= 0.004988 trlgG= -0.014634 logG= -0.016447 TDE= -0.136336 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001595 tlogG= -0.001311 logG= -0.002905 Density= 0.022777 ETOT(band)= -0.000171 trlgG= -0.003521 logG= -0.002905 TDE= -0.022484 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.004893 tlogG= -0.004170 logG= -0.009063 Density= 0.075452 ETOT(band)= 0.005130 trlgG= -0.005611 logG= -0.009063 TDE= -0.068992 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009755 tlogG= -0.007756 logG= -0.017511 Density= 0.149823 ETOT(band)= 0.010784 trlgG= -0.010032 logG= -0.017511 TDE= -0.136370 logGD-logG0= -0.009795 tlogG= -0.008753 logG= -0.018547 Density= 0.151165 ETOT(band)= 0.010501 trlgG= -0.011363 logG= -0.018547 TDE= -0.137954 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019559 tlogG= -0.015806 logG= -0.035366 Density= 0.301121 ETOT(band)= 0.020713 trlgG= -0.021336 logG= -0.035366 TDE= -0.275086 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019539 tlogG= -0.014689 logG= -0.034228 Density= 0.299029 ETOT(band)= 0.020695 trlgG= -0.020017 logG= -0.034228 TDE= -0.272896 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009795 tlogG= -0.006596 logG= -0.016391 Density= 0.147192 ETOT(band)= 0.008343 trlgG= -0.011284 logG= -0.016391 TDE= -0.136215 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003136 tlogG= -0.002592 logG= -0.005729 Density= 0.045894 ETOT(band)= 0.000584 trlgG= -0.005922 logG= -0.005729 TDE= -0.044257 logGD-logG0= -0.003183 tlogG= -0.002516 logG= -0.005699 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.045378 ETOT(band)= -0.000342 trlgG= -0.006971 logG= -0.005699 TDE= -0.044841 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009560 tlogG= -0.007423 logG= -0.016984 Density= 0.136753 ETOT(band)= -0.000697 trlgG= -0.020501 logG= -0.016984 TDE= -0.134818 logGD-logG0= -0.009553 tlogG= -0.007339 logG= -0.016891 Density= 0.136623 ETOT(band)= -0.000641 trlgG= -0.020369 logG= -0.016891 TDE= -0.134654 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003165 tlogG= -0.002542 logG= -0.005707 Density= 0.045617 ETOT(band)= 0.000072 trlgG= -0.006491 logG= -0.005707 TDE= -0.044582 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009570 tlogG= -0.006629 logG= -0.016198 Density= 0.137899 ETOT(band)= 0.000711 trlgG= -0.018421 logG= -0.016198 TDE= -0.134623 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009480 tlogG= -0.007331 logG= -0.016811 Density= 0.137359 ETOT(band)= 0.001074 trlgG= -0.018297 logG= -0.016811 TDE= -0.133368 logGD-logG0= -0.009537 tlogG= -0.007263 logG= -0.016801 Density= 0.136674 ETOT(band)= -0.000245 trlgG= -0.019851 logG= -0.016801 TDE= -0.134275 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009861 tlogG= -0.007106 logG= -0.016967 Density= 0.147532 ETOT(band)= 0.009045 trlgG= -0.011187 logG= -0.016967 TDE= -0.135869 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009665 tlogG= -0.006330 logG= -0.015995 Density= 0.140320 ETOT(band)= 0.003385 trlgG= -0.015415 logG= -0.015995 TDE= -0.134146 logGD-logG0= -0.009541 tlogG= -0.006496 logG= -0.016037 Density= 0.137664 ETOT(band)= 0.000971 trlgG= -0.017943 logG= -0.016037 TDE= -0.134081 logGD-logG0= -0.009565 tlogG= -0.006811 logG= -0.016376 Density= 0.138489 ETOT(band)= 0.001675 trlgG= -0.017416 logG= -0.016376 TDE= -0.134008 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009578 tlogG= -0.006595 logG= -0.016173 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009669 tlogG= -0.005988 logG= -0.015657 Density= 0.137848 ETOT(band)= 0.000740 trlgG= -0.018400 logG= -0.016173 TDE= -0.134578 Density= 0.135826 ETOT(band)= -0.001509 trlgG= -0.020008 logG= -0.015657 TDE= -0.134760 logGD-logG0= -0.009798 tlogG= -0.007519 logG= -0.017317 Density= 0.148858 ETOT(band)= 0.010643 trlgG= -0.009959 logG= -0.017317 TDE= -0.135564 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004831 tlogG= -0.003082 logG= -0.007912 Density= 0.067566 ETOT(band)= -0.001268 trlgG= -0.010594 logG= -0.007912 TDE= -0.067554 logGD-logG0= -0.009834 tlogG= -0.006482 logG= -0.016316 Density= 0.142592 ETOT(band)= 0.004390 trlgG= -0.014982 logG= -0.016316 TDE= -0.135574 logGD-logG0= -0.009515 tlogG= -0.007294 logG= -0.016808 Density= 0.136909 ETOT(band)= 0.000166 trlgG= -0.019362 logG= -0.016808 TDE= -0.134004 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009512 tlogG= -0.006789 logG= -0.016301 logGD-logG0= -0.009651 tlogG= -0.005597 logG= -0.015248 Density= 0.139065 ETOT(band)= 0.002971 trlgG= -0.015940 logG= -0.016301 TDE= -0.133159 Density= 0.133691 ETOT(band)= -0.003181 trlgG= -0.021207 logG= -0.015248 TDE= -0.134320 logGD-logG0= -0.009562 tlogG= -0.006825 logG= -0.016386 Density= 0.137507 ETOT(band)= 0.000252 trlgG= -0.019082 logG= -0.016386 TDE= -0.134720 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009733 tlogG= -0.006547 logG= -0.016280 Density= 0.143575 ETOT(band)= 0.006828 trlgG= -0.012345 logG= -0.016280 TDE= -0.133915 logGD-logG0= -0.009641 tlogG= -0.006110 logG= -0.015751 Density= 0.138673 ETOT(band)= 0.001566 trlgG= -0.017033 logG= -0.015751 TDE= -0.134426 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004844 tlogG= -0.002559 logG= -0.007403 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.065406 ETOT(band)= -0.002664 trlgG= -0.011340 logG= -0.007403 TDE= -0.066735 logGD-logG0= -0.009624 tlogG= -0.005909 logG= -0.015534 Density= 0.138076 ETOT(band)= 0.001002 trlgG= -0.017457 logG= -0.015534 TDE= -0.134494 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009606 tlogG= -0.005589 logG= -0.015195 Density= 0.136824 ETOT(band)= 0.000285 trlgG= -0.017832 logG= -0.015195 TDE= -0.134005 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019241 tlogG= -0.012056 logG= -0.031297 Density= 0.278265 ETOT(band)= 0.004033 trlgG= -0.033252 logG= -0.031297 TDE= -0.269125 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019114 tlogG= -0.013647 logG= -0.032762 logGD-logG0= -0.019721 tlogG= -0.012706 logG= -0.032428 Density= 0.275189 ETOT(band)= 0.001139 trlgG= -0.037388 logG= -0.032762 TDE= -0.268843 Density= 0.285349 ETOT(band)= 0.008434 trlgG= -0.030216 logG= -0.032428 TDE= -0.271760 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019223 tlogG= -0.011906 logG= -0.031129 Density= 0.277915 ETOT(band)= 0.003981 trlgG= -0.033092 logG= -0.031129 TDE= -0.268798 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019151 tlogG= -0.012293 logG= -0.031445 Density= 0.278958 ETOT(band)= 0.006459 trlgG= -0.030588 logG= -0.031445 TDE= -0.266979 logGD-logG0= -0.009880 tlogG= -0.006490 logG= -0.016371 Density= 0.143178 ETOT(band)= 0.004436 trlgG= -0.015094 logG= -0.016371 TDE= -0.136193 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019477 tlogG= -0.012006 logG= -0.031483 Density= 0.281530 ETOT(band)= 0.006922 trlgG= -0.030521 logG= -0.031483 TDE= -0.269342 logGD-logG0= -0.004924 tlogG= -0.003555 logG= -0.008478 logGD-logG0= -0.019221 tlogG= -0.012206 logG= -0.031426 Density= 0.074732 ETOT(band)= 0.004979 trlgG= -0.005131 logG= -0.008478 TDE= -0.068405 Density= 0.278092 ETOT(band)= 0.004447 trlgG= -0.032764 logG= -0.031426 TDE= -0.268341 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019345 tlogG= -0.011400 logG= -0.030745 Density= 0.275405 ETOT(band)= 0.001189 trlgG= -0.035303 logG= -0.030745 TDE= -0.268982 logGD-logG0= -0.000391 tlogG= 0.008634 logG= 0.008243 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.005718 ETOT(band)= 0.000063 trlgG= 0.008202 logG= 0.008243 TDE= -0.005531 logGD-logG0= -0.019326 tlogG= -0.010786 logG= -0.030112 Density= 0.271319 ETOT(band)= -0.002218 trlgG= -0.038106 logG= -0.030112 TDE= -0.268495 logGD-logG0= -0.019422 tlogG= -0.010116 logG= -0.029538 Density= 0.264287 ETOT(band)= -0.008150 trlgG= -0.043168 logG= -0.029538 TDE= -0.267380 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019440 tlogG= -0.010403 logG= -0.029843 Density= 0.278049 ETOT(band)= 0.004549 trlgG= -0.031120 logG= -0.029843 TDE= -0.268239 logGD-logG0= -0.009755 tlogG= -0.004844 logG= -0.014599 Density= 0.131152 ETOT(band)= -0.005057 trlgG= -0.022378 logG= -0.014599 TDE= -0.133703 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019044 tlogG= -0.013696 logG= -0.032740 Density= 0.275864 ETOT(band)= 0.002976 trlgG= -0.035139 logG= -0.032740 TDE= -0.267264 logGD-logG0= -0.019148 tlogG= -0.011577 logG= -0.030725 Density= 0.276479 ETOT(band)= 0.003865 trlgG= -0.032613 logG= -0.030725 TDE= -0.267344 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019763 tlogG= -0.012700 logG= -0.032463 Density= 0.289721 ETOT(band)= 0.014959 trlgG= -0.023594 logG= -0.032463 TDE= -0.269301 logGD-logG0= -0.009678 tlogG= -0.005427 logG= -0.015105 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019581 tlogG= -0.011852 logG= -0.031433 Density= 0.132998 ETOT(band)= -0.003828 trlgG= -0.021650 logG= -0.015105 TDE= -0.134240 Density= 0.280357 ETOT(band)= 0.004485 trlgG= -0.033002 logG= -0.031433 TDE= -0.270748 logGD-logG0= -0.019364 tlogG= -0.011623 logG= -0.030988 Density= 0.270028 ETOT(band)= -0.004677 trlgG= -0.041358 logG= -0.030988 TDE= -0.269632 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019377 tlogG= -0.010480 logG= -0.029857 Density= 0.274693 ETOT(band)= 0.002178 trlgG= -0.033431 logG= -0.029857 TDE= -0.267314 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009744 tlogG= -0.005171 logG= -0.014915 Density= 0.139915 ETOT(band)= 0.002867 trlgG= -0.015018 logG= -0.014915 TDE= -0.134438 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019520 tlogG= -0.011088 logG= -0.030608 logGD-logG0= -0.019464 tlogG= -0.010025 logG= -0.029488 Density= 0.267164 ETOT(band)= -0.006155 trlgG= -0.041166 logG= -0.029488 TDE= -0.268190 Density= 0.278188 ETOT(band)= 0.003703 trlgG= -0.032778 logG= -0.030608 TDE= -0.269265 logGD-logG0= -0.019415 tlogG= -0.010546 logG= -0.029961 logGD-logG0= -0.009899 tlogG= -0.005947 logG= -0.015846 Density= 0.144022 ETOT(band)= 0.006421 trlgG= -0.012460 logG= -0.015846 TDE= -0.134894 Density= 0.272243 ETOT(band)= -0.001906 trlgG= -0.037482 logG= -0.029961 TDE= -0.268909 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009684 tlogG= -0.005108 logG= -0.014793 Density= 0.136402 ETOT(band)= -0.000489 trlgG= -0.017955 logG= -0.014793 TDE= -0.134126 logGD-logG0= -0.009703 tlogG= -0.005243 logG= -0.014946 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136872 ETOT(band)= -0.000146 trlgG= -0.017855 logG= -0.014946 TDE= -0.134324 logGD-logG0= -0.009692 tlogG= -0.005462 logG= -0.015154 Density= 0.135832 ETOT(band)= -0.001345 trlgG= -0.019191 logG= -0.015154 TDE= -0.134453 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004850 tlogG= -0.002640 logG= -0.007490 Density= 0.068627 ETOT(band)= 0.000058 trlgG= -0.008862 logG= -0.007490 TDE= -0.067262 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002464 tlogG= -0.001860 logG= -0.004324 Density= 0.036962 ETOT(band)= 0.002605 trlgG= -0.002503 logG= -0.004324 TDE= -0.033668 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002361 tlogG= -0.002338 logG= -0.004699 logGD-logG0= -0.009437 tlogG= -0.008787 logG= -0.018224 Density= 0.139483 ETOT(band)= 0.003710 trlgG= -0.016938 logG= -0.018224 TDE= -0.132635 Density= 0.034892 ETOT(band)= 0.000943 trlgG= -0.004392 logG= -0.004699 TDE= -0.033194 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009533 tlogG= -0.007375 logG= -0.016908 Density= 0.137606 ETOT(band)= 0.001633 trlgG= -0.017793 logG= -0.016908 TDE= -0.133005 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002409 tlogG= -0.001964 logG= -0.004372 Density= 0.035821 ETOT(band)= 0.001777 trlgG= -0.003256 logG= -0.004372 TDE= -0.033277 logGD-logG0= -0.009553 tlogG= -0.007301 logG= -0.016854 Density= 0.141062 ETOT(band)= 0.005280 trlgG= -0.014244 logG= -0.016854 TDE= -0.132828 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009469 tlogG= -0.007951 logG= -0.017420 Density= 0.138895 ETOT(band)= 0.003283 trlgG= -0.016553 logG= -0.017420 TDE= -0.132491 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009501 tlogG= -0.008406 logG= -0.017907 Density= 0.140928 ETOT(band)= 0.005080 trlgG= -0.015388 logG= -0.017907 TDE= -0.132790 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004736 tlogG= -0.004008 logG= -0.008744 Density= 0.069971 ETOT(band)= 0.002161 trlgG= -0.007820 logG= -0.008744 TDE= -0.066258 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009786 tlogG= -0.007157 logG= -0.016943 Density= 0.144965 ETOT(band)= 0.008455 trlgG= -0.011288 logG= -0.016943 TDE= -0.133529 logGD-logG0= -0.009487 tlogG= -0.007720 logG= -0.017206 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.138629 ETOT(band)= 0.002904 trlgG= -0.016670 logG= -0.017206 TDE= -0.132565 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009541 tlogG= -0.006856 logG= -0.016398 Density= 0.139412 ETOT(band)= 0.003951 trlgG= -0.015036 logG= -0.016398 TDE= -0.132491 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009593 tlogG= -0.006324 logG= -0.015917 Density= 0.137432 ETOT(band)= 0.001657 trlgG= -0.017066 logG= -0.015917 TDE= -0.133102 logGD-logG0= -0.009706 tlogG= -0.005298 logG= -0.015004 Density= 0.133866 ETOT(band)= -0.001833 trlgG= -0.019609 logG= -0.015004 TDE= -0.133134 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004829 tlogG= -0.002811 logG= -0.007639 Density= 0.068426 ETOT(band)= 0.000792 trlgG= -0.008232 logG= -0.007639 TDE= -0.066291 logGD-logG0= -0.018983 tlogG= -0.015708 logG= -0.034691 Density= 0.280534 ETOT(band)= 0.009153 trlgG= -0.030537 logG= -0.034691 TDE= -0.265195 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009906 tlogG= -0.006691 logG= -0.016597 Density= 0.145836 ETOT(band)= 0.008908 trlgG= -0.010799 logG= -0.016597 TDE= -0.134224 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009436 tlogG= -0.009018 logG= -0.018454 Density= 0.139676 ETOT(band)= 0.003899 trlgG= -0.017045 logG= -0.018454 TDE= -0.132698 logGD-logG0= -0.019325 tlogG= -0.013185 logG= -0.032510 Density= 0.284844 ETOT(band)= 0.012796 trlgG= -0.025415 logG= -0.032510 TDE= -0.266391 logGD-logG0= -0.009743 tlogG= -0.004984 logG= -0.014727 Density= 0.130896 ETOT(band)= -0.004595 trlgG= -0.022034 logG= -0.014727 TDE= -0.132985 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009598 tlogG= -0.007504 logG= -0.017101 Density= 0.142547 ETOT(band)= 0.006578 trlgG= -0.013193 logG= -0.017101 TDE= -0.132956 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019094 tlogG= -0.013923 logG= -0.033017 Density= 0.277666 ETOT(band)= 0.006282 trlgG= -0.031822 logG= -0.033017 TDE= -0.265399 logGD-logG0= -0.009768 tlogG= -0.005668 logG= -0.015436 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.141478 ETOT(band)= 0.005391 trlgG= -0.013059 logG= -0.015436 TDE= -0.133460 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019261 tlogG= -0.011637 logG= -0.030898 Density= 0.276967 ETOT(band)= 0.005845 trlgG= -0.030707 logG= -0.030898 TDE= -0.265732 logGD-logG0= -0.009577 tlogG= -0.006640 logG= -0.016217 Density= 0.140882 ETOT(band)= 0.005349 trlgG= -0.013647 logG= -0.016217 TDE= -0.132695 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003136 tlogG= 0.069203 logG= 0.066067 Density= 0.045864 ETOT(band)= 0.000630 trlgG= 0.065857 logG= 0.066067 TDE= -0.044246 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003165 tlogG= 0.069885 logG= 0.066720 Density= 0.046296 ETOT(band)= 0.001062 trlgG= 0.066982 logG= 0.066720 TDE= -0.044187 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003146 tlogG= 0.069487 logG= 0.066341 Density= 0.046222 ETOT(band)= 0.000958 trlgG= 0.066484 logG= 0.066341 TDE= -0.044235 logGD-logG0= -0.002352 tlogG= 0.051921 logG= 0.049569 Density= 0.034462 ETOT(band)= 0.000524 trlgG= 0.049469 logG= 0.049569 TDE= -0.033188 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009432 tlogG= 0.208478 logG= 0.199046 Density= 0.138635 ETOT(band)= 0.002906 trlgG= 0.199425 logG= 0.199046 TDE= -0.132728 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004708 tlogG= 0.104056 logG= 0.099348 Density= 0.069171 ETOT(band)= 0.001284 trlgG= 0.099394 logG= 0.099348 TDE= -0.066367 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009468 tlogG= 0.209179 logG= 0.199711 Density= 0.139147 ETOT(band)= 0.003442 trlgG= 0.200662 logG= 0.199711 TDE= -0.132648 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.49186083913986 eV TrLogG= -14.0178970000779 eV Ratio to renormalize= 0.999999999722 rho-rho_expected= 0.000000004444 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 31) Finished k-point number 32 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 101) Finished k-point number 102 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 51) Finished k-point number 52 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 49) Finished k-point number 50 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 58) Finished k-point number 59 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 85) Finished k-point number 86 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 91) Finished k-point number 92 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 95) Finished k-point number 96 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931413397575556 0.927983966820228 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 42) Finished k-point number 43 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 37) Finished k-point number 38 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 33) Finished k-point number 34 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 39) Finished k-point number 40 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 15) Finished k-point number 16 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 68) Finished k-point number 69 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 101) Finished k-point number 102 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 91) Finished k-point number 92 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0632134056907 Density= 15.9998338258688 16.0000000000000 EF 13.3353272378042 Density= 16.5037165493466 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98012856 0.96012856 0.503717 -0.166174E-03 1 0.97012856 0.96012858 0.260885 -0.166174E-03 2 0.96512857 0.96012833 0.133338 -0.166174E-03 3 0.96262845 0.96012846 0.675103E-01 -0.166174E-03 4 0.96137845 0.96012839 0.339308E-01 -0.166174E-03 5 0.96075342 0.96012866 0.169486E-01 -0.166174E-03 6 0.96044104 0.96012877 0.841021E-02 -0.166174E-03 7 0.96028491 0.96012872 0.412929E-02 -0.166174E-03 8 0.96020681 0.96012850 0.198480E-02 -0.166174E-03 9 0.96016766 0.96012861 0.908791E-03 -0.166174E-03 10 0.96014813 0.96012856 0.372036E-03 -0.166174E-03 11 0.96013834 0.96012858 0.102876E-03 -0.166174E-03 12 0.96013461 0.96012858 0.240793E-06 -0.166174E-03 13 0.96013460 0.96012858 0.323638E-09 -0.166174E-03 14 0.96013460 0.96013460 -0.242646E-08 0.323638E-09 15 0.96013460 0.96013460 -0.242646E-08 0.323638E-09 Absolute convergence of the X interval. Difference in EF= 0.0000822077 EF set to : 13.0632956134 new EF (no-mixing): 13.0632956134 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001222 tlogG= -0.001242 logG= -0.002465 Density= 0.018971 ETOT(band)= 0.001226 trlgG= -0.001641 logG= -0.002465 TDE= -0.017391 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004873 tlogG= -0.004592 logG= -0.009465 Density= 0.075804 ETOT(band)= 0.005108 trlgG= -0.005970 logG= -0.009465 TDE= -0.069288 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009754 tlogG= -0.009478 logG= -0.019232 Density= 0.151662 ETOT(band)= 0.010057 trlgG= -0.012399 logG= -0.019232 TDE= -0.138783 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002437 tlogG= -0.002390 logG= -0.004827 Density= 0.037890 ETOT(band)= 0.002544 trlgG= -0.003092 logG= -0.004827 TDE= -0.034645 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.001595 tlogG= -0.001311 logG= -0.002906 Density= 0.022777 ETOT(band)= -0.000170 trlgG= -0.003521 logG= -0.002906 TDE= -0.022484 logGD-logG0= -0.004893 tlogG= -0.004170 logG= -0.009062 Density= 0.075451 ETOT(band)= 0.005129 trlgG= -0.005612 logG= -0.009062 TDE= -0.068992 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009803 tlogG= -0.006644 logG= -0.016447 logGD-logG0= -0.009784 tlogG= -0.008620 logG= -0.018404 Density= 0.150693 ETOT(band)= 0.010486 trlgG= -0.011276 logG= -0.018404 TDE= -0.137558 Density= 0.143886 ETOT(band)= 0.004988 trlgG= -0.014633 logG= -0.016447 TDE= -0.136336 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.002441 tlogG= -0.002067 logG= -0.004509 Density= 0.037417 ETOT(band)= 0.002554 trlgG= -0.002808 logG= -0.004509 TDE= -0.034224 logGD-logG0= -0.009795 tlogG= -0.008752 logG= -0.018547 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.151164 ETOT(band)= 0.010500 trlgG= -0.011364 logG= -0.018547 TDE= -0.137954 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019539 tlogG= -0.014689 logG= -0.034227 Density= 0.299023 ETOT(band)= 0.020690 trlgG= -0.020021 logG= -0.034227 TDE= -0.272896 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019559 tlogG= -0.015808 logG= -0.035367 Density= 0.301118 ETOT(band)= 0.020711 trlgG= -0.021340 logG= -0.035367 TDE= -0.275087 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009795 tlogG= -0.006596 logG= -0.016391 Density= 0.147190 ETOT(band)= 0.008342 trlgG= -0.011285 logG= -0.016391 TDE= -0.136216 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009781 tlogG= -0.008014 logG= -0.017794 Density= 0.150478 ETOT(band)= 0.010390 trlgG= -0.010744 logG= -0.017794 TDE= -0.137429 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009755 tlogG= -0.007756 logG= -0.017511 logGD-logG0= -0.003183 tlogG= -0.002516 logG= -0.005698 Density= 0.149822 ETOT(band)= 0.010783 trlgG= -0.010033 logG= -0.017511 TDE= -0.136371 Density= 0.045378 ETOT(band)= -0.000342 trlgG= -0.006970 logG= -0.005698 TDE= -0.044841 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003136 tlogG= -0.002592 logG= -0.005729 Density= 0.045893 ETOT(band)= 0.000584 trlgG= -0.005922 logG= -0.005729 TDE= -0.044257 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003165 tlogG= -0.002542 logG= -0.005707 Density= 0.045617 ETOT(band)= 0.000073 trlgG= -0.006491 logG= -0.005707 TDE= -0.044582 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009578 tlogG= -0.006595 logG= -0.016173 Density= 0.137847 ETOT(band)= 0.000740 trlgG= -0.018400 logG= -0.016173 TDE= -0.134579 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009560 tlogG= -0.007421 logG= -0.016981 Density= 0.136754 ETOT(band)= -0.000695 trlgG= -0.020497 logG= -0.016981 TDE= -0.134818 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009538 tlogG= -0.007265 logG= -0.016803 Density= 0.136674 ETOT(band)= -0.000244 trlgG= -0.019853 logG= -0.016803 TDE= -0.134275 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009552 tlogG= -0.007336 logG= -0.016888 Density= 0.136622 ETOT(band)= -0.000642 trlgG= -0.020366 logG= -0.016888 TDE= -0.134654 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009569 tlogG= -0.006628 logG= -0.016197 Density= 0.137898 ETOT(band)= 0.000711 trlgG= -0.018419 logG= -0.016197 TDE= -0.134623 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009480 tlogG= -0.007331 logG= -0.016811 Density= 0.137358 ETOT(band)= 0.001074 trlgG= -0.018297 logG= -0.016811 TDE= -0.133368 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009834 tlogG= -0.006483 logG= -0.016317 Density= 0.142593 ETOT(band)= 0.004390 trlgG= -0.014983 logG= -0.016317 TDE= -0.135574 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004830 tlogG= -0.003083 logG= -0.007913 Density= 0.067566 ETOT(band)= -0.001268 trlgG= -0.010595 logG= -0.007913 TDE= -0.067554 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009541 tlogG= -0.006494 logG= -0.016035 Density= 0.137663 ETOT(band)= 0.000971 trlgG= -0.017941 logG= -0.016035 TDE= -0.134081 logGD-logG0= -0.009624 tlogG= -0.005908 logG= -0.015532 Density= 0.138075 ETOT(band)= 0.001002 trlgG= -0.017456 logG= -0.015532 TDE= -0.134494 logGD-logG0= -0.009798 tlogG= -0.007519 logG= -0.017318 Density= 0.148856 ETOT(band)= 0.010642 trlgG= -0.009961 logG= -0.017318 TDE= -0.135565 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009861 tlogG= -0.007105 logG= -0.016966 Density= 0.147528 ETOT(band)= 0.009042 trlgG= -0.011189 logG= -0.016966 TDE= -0.135869 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009880 tlogG= -0.006490 logG= -0.016370 Density= 0.143179 ETOT(band)= 0.004437 trlgG= -0.015093 logG= -0.016370 TDE= -0.136194 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019328 tlogG= -0.010795 logG= -0.030123 Density= 0.271345 ETOT(band)= -0.002191 trlgG= -0.038091 logG= -0.030123 TDE= -0.268496 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000391 tlogG= 0.008635 logG= 0.008243 Density= 0.005718 ETOT(band)= 0.000063 trlgG= 0.008202 logG= 0.008243 TDE= -0.005531 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019221 tlogG= -0.012204 logG= -0.031425 Density= 0.278090 ETOT(band)= 0.004447 trlgG= -0.032763 logG= -0.031425 TDE= -0.268342 logGD-logG0= -0.009680 tlogG= -0.005425 logG= -0.015105 Density= 0.132994 ETOT(band)= -0.003831 trlgG= -0.021653 logG= -0.015105 TDE= -0.134240 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019223 tlogG= -0.011900 logG= -0.031123 logGD-logG0= -0.009665 tlogG= -0.006330 logG= -0.015994 Density= 0.277919 ETOT(band)= 0.003988 trlgG= -0.033081 logG= -0.031123 TDE= -0.268798 Density= 0.140319 ETOT(band)= 0.003385 trlgG= -0.015415 logG= -0.015994 TDE= -0.134146 logGD-logG0= -0.009605 tlogG= -0.005588 logG= -0.015194 logGD-logG0= -0.009756 tlogG= -0.004844 logG= -0.014600 Density= 0.131152 ETOT(band)= -0.005055 trlgG= -0.022379 logG= -0.014600 TDE= -0.133703 Density= 0.136823 ETOT(band)= 0.000285 trlgG= -0.017830 logG= -0.015194 TDE= -0.134005 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019581 tlogG= -0.011850 logG= -0.031431 Density= 0.280349 ETOT(band)= 0.004479 trlgG= -0.033006 logG= -0.031431 TDE= -0.270748 logGD-logG0= -0.004924 tlogG= -0.003555 logG= -0.008478 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.074731 ETOT(band)= 0.004979 trlgG= -0.005131 logG= -0.008478 TDE= -0.068405 logGD-logG0= -0.019044 tlogG= -0.013690 logG= -0.032734 Density= 0.275866 ETOT(band)= 0.002980 trlgG= -0.035129 logG= -0.032734 TDE= -0.267264 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009641 tlogG= -0.006109 logG= -0.015750 Density= 0.138673 ETOT(band)= 0.001567 trlgG= -0.017032 logG= -0.015750 TDE= -0.134426 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009682 tlogG= -0.005104 logG= -0.014785 Density= 0.136399 ETOT(band)= -0.000493 trlgG= -0.017951 logG= -0.014785 TDE= -0.134126 logGD-logG0= -0.009703 tlogG= -0.005243 logG= -0.014946 Density= 0.136872 ETOT(band)= -0.000146 trlgG= -0.017854 logG= -0.014946 TDE= -0.134324 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009691 tlogG= -0.005461 logG= -0.015153 Density= 0.135829 ETOT(band)= -0.001348 trlgG= -0.019192 logG= -0.015153 TDE= -0.134453 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004850 tlogG= -0.002640 logG= -0.007490 Density= 0.068627 ETOT(band)= 0.000058 trlgG= -0.008861 logG= -0.007490 TDE= -0.067263 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009562 tlogG= -0.006820 logG= -0.016382 logGD-logG0= -0.019240 tlogG= -0.012059 logG= -0.031299 Density= 0.137507 ETOT(band)= 0.000254 trlgG= -0.019077 logG= -0.016382 TDE= -0.134720 Density= 0.278264 ETOT(band)= 0.004033 trlgG= -0.033254 logG= -0.031299 TDE= -0.269126 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019153 tlogG= -0.012292 logG= -0.031445 Density= 0.278955 ETOT(band)= 0.006460 trlgG= -0.030589 logG= -0.031445 TDE= -0.266979 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019363 tlogG= -0.011617 logG= -0.030981 Density= 0.270019 ETOT(band)= -0.004685 trlgG= -0.041359 logG= -0.030981 TDE= -0.269632 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009743 tlogG= -0.005173 logG= -0.014917 Density= 0.139911 ETOT(band)= 0.002864 trlgG= -0.015022 logG= -0.014917 TDE= -0.134438 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009542 tlogG= -0.006861 logG= -0.016403 Density= 0.139409 ETOT(band)= 0.003949 trlgG= -0.015043 logG= -0.016403 TDE= -0.132491 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019414 tlogG= -0.010547 logG= -0.029961 Density= 0.272247 ETOT(band)= -0.001901 trlgG= -0.037477 logG= -0.029961 TDE= -0.268910 logGD-logG0= -0.019465 tlogG= -0.010025 logG= -0.029489 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.267166 ETOT(band)= -0.006150 trlgG= -0.041164 logG= -0.029489 TDE= -0.268190 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009437 tlogG= -0.008787 logG= -0.018224 Density= 0.139483 ETOT(band)= 0.003711 trlgG= -0.016937 logG= -0.018224 TDE= -0.132635 logGD-logG0= -0.002464 tlogG= -0.001860 logG= -0.004324 Density= 0.036962 ETOT(band)= 0.002605 trlgG= -0.002503 logG= -0.004324 TDE= -0.033668 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002409 tlogG= -0.001964 logG= -0.004372 Density= 0.035821 ETOT(band)= 0.001777 trlgG= -0.003256 logG= -0.004372 TDE= -0.033277 logGD-logG0= -0.009786 tlogG= -0.007156 logG= -0.016942 Density= 0.144965 ETOT(band)= 0.008456 trlgG= -0.011286 logG= -0.016942 TDE= -0.133529 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009488 tlogG= -0.007723 logG= -0.017210 Density= 0.138629 ETOT(band)= 0.002905 trlgG= -0.016673 logG= -0.017210 TDE= -0.132565 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009899 tlogG= -0.005947 logG= -0.015845 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.144021 ETOT(band)= 0.006422 trlgG= -0.012459 logG= -0.015845 TDE= -0.134894 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009651 tlogG= -0.005599 logG= -0.015250 Density= 0.133684 ETOT(band)= -0.003187 trlgG= -0.021215 logG= -0.015250 TDE= -0.134320 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019113 tlogG= -0.013646 logG= -0.032759 Density= 0.275188 ETOT(band)= 0.001140 trlgG= -0.037385 logG= -0.032759 TDE= -0.268844 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019477 tlogG= -0.012007 logG= -0.031485 Density= 0.281533 ETOT(band)= 0.006927 trlgG= -0.030518 logG= -0.031485 TDE= -0.269343 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019149 tlogG= -0.011577 logG= -0.030725 Density= 0.276486 ETOT(band)= 0.003875 trlgG= -0.032606 logG= -0.030725 TDE= -0.267344 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019762 tlogG= -0.012698 logG= -0.032460 Density= 0.289714 ETOT(band)= 0.014953 trlgG= -0.023598 logG= -0.032460 TDE= -0.269301 logGD-logG0= -0.009706 tlogG= -0.005294 logG= -0.015001 Density= 0.133871 ETOT(band)= -0.001826 trlgG= -0.019600 logG= -0.015001 TDE= -0.133134 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004845 tlogG= -0.002559 logG= -0.007403 Density= 0.065402 ETOT(band)= -0.002666 trlgG= -0.011344 logG= -0.007403 TDE= -0.066735 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009734 tlogG= -0.006547 logG= -0.016280 Density= 0.143576 ETOT(band)= 0.006829 trlgG= -0.012344 logG= -0.016280 TDE= -0.133916 logGD-logG0= -0.009669 tlogG= -0.005987 logG= -0.015656 Density= 0.135825 ETOT(band)= -0.001509 trlgG= -0.020006 logG= -0.015656 TDE= -0.134761 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019520 tlogG= -0.011089 logG= -0.030609 Density= 0.278208 ETOT(band)= 0.003724 trlgG= -0.032758 logG= -0.030609 TDE= -0.269266 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009436 tlogG= -0.009018 logG= -0.018453 Density= 0.139676 ETOT(band)= 0.003899 trlgG= -0.017044 logG= -0.018453 TDE= -0.132699 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019721 tlogG= -0.012708 logG= -0.032429 Density= 0.285346 ETOT(band)= 0.008432 trlgG= -0.030220 logG= -0.032429 TDE= -0.271761 logGD-logG0= -0.018983 tlogG= -0.015707 logG= -0.034690 Density= 0.280534 ETOT(band)= 0.009156 trlgG= -0.030534 logG= -0.034690 TDE= -0.265195 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009598 tlogG= -0.007503 logG= -0.017101 Density= 0.142547 ETOT(band)= 0.006579 trlgG= -0.013192 logG= -0.017101 TDE= -0.132956 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009742 tlogG= -0.004981 logG= -0.014723 Density= 0.130903 ETOT(band)= -0.004588 trlgG= -0.022024 logG= -0.014723 TDE= -0.132985 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009768 tlogG= -0.005668 logG= -0.015436 Density= 0.141478 ETOT(band)= 0.005392 trlgG= -0.013058 logG= -0.015436 TDE= -0.133460 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019263 tlogG= -0.011641 logG= -0.030904 Density= 0.276976 ETOT(band)= 0.005857 trlgG= -0.030703 logG= -0.030904 TDE= -0.265733 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019346 tlogG= -0.011399 logG= -0.030744 Density= 0.275402 ETOT(band)= 0.001189 trlgG= -0.035304 logG= -0.030744 TDE= -0.268983 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019440 tlogG= -0.010401 logG= -0.029842 Density= 0.278044 ETOT(band)= 0.004546 trlgG= -0.031122 logG= -0.029842 TDE= -0.268240 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019378 tlogG= -0.010486 logG= -0.029863 Density= 0.274731 ETOT(band)= 0.002219 trlgG= -0.033398 logG= -0.029863 TDE= -0.267314 logGD-logG0= -0.019325 tlogG= -0.013184 logG= -0.032509 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.284844 ETOT(band)= 0.012798 trlgG= -0.025412 logG= -0.032509 TDE= -0.266392 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003165 tlogG= 0.069885 logG= 0.066720 Density= 0.046296 ETOT(band)= 0.001063 trlgG= 0.066983 logG= 0.066720 TDE= -0.044187 logGD-logG0= -0.019094 tlogG= -0.013920 logG= -0.033014 Density= 0.277665 ETOT(band)= 0.006283 trlgG= -0.031817 logG= -0.033014 TDE= -0.265400 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019423 tlogG= -0.010115 logG= -0.029538 Density= 0.264265 ETOT(band)= -0.008170 trlgG= -0.043188 logG= -0.029538 TDE= -0.267381 logGD-logG0= -0.009470 tlogG= 0.209179 logG= 0.199710 Density= 0.139147 ETOT(band)= 0.003444 trlgG= 0.200662 logG= 0.199710 TDE= -0.132648 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003146 tlogG= 0.069488 logG= 0.066342 Density= 0.046221 ETOT(band)= 0.000958 trlgG= 0.066486 logG= 0.066342 TDE= -0.044235 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003136 tlogG= 0.069203 logG= 0.066068 Density= 0.045864 ETOT(band)= 0.000630 trlgG= 0.065857 logG= 0.066068 TDE= -0.044246 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009577 tlogG= -0.006643 logG= -0.016220 Density= 0.140883 ETOT(band)= 0.005351 trlgG= -0.013649 logG= -0.016220 TDE= -0.132695 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009432 tlogG= 0.208480 logG= 0.199048 Density= 0.138634 ETOT(band)= 0.002906 trlgG= 0.199427 logG= 0.199048 TDE= -0.132728 logGD-logG0= -0.009906 tlogG= -0.006691 logG= -0.016596 Density= 0.145835 ETOT(band)= 0.008908 trlgG= -0.010799 logG= -0.016596 TDE= -0.134224 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002352 tlogG= 0.051922 logG= 0.049570 Density= 0.034462 ETOT(band)= 0.000524 trlgG= 0.049470 logG= 0.049570 TDE= -0.033188 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004829 tlogG= -0.002811 logG= -0.007639 Density= 0.068424 ETOT(band)= 0.000790 trlgG= -0.008234 logG= -0.007639 TDE= -0.066291 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009515 tlogG= -0.007295 logG= -0.016810 Density= 0.136909 ETOT(band)= 0.000166 trlgG= -0.019364 logG= -0.016810 TDE= -0.134004 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009592 tlogG= -0.006327 logG= -0.015918 Density= 0.137433 ETOT(band)= 0.001657 trlgG= -0.017067 logG= -0.015918 TDE= -0.133102 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009566 tlogG= -0.006811 logG= -0.016377 Density= 0.138489 ETOT(band)= 0.001675 trlgG= -0.017417 logG= -0.016377 TDE= -0.134008 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009534 tlogG= -0.007377 logG= -0.016911 Density= 0.137605 ETOT(band)= 0.001635 trlgG= -0.017797 logG= -0.016911 TDE= -0.133005 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004736 tlogG= -0.004006 logG= -0.008742 Density= 0.069972 ETOT(band)= 0.002161 trlgG= -0.007818 logG= -0.008742 TDE= -0.066258 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009511 tlogG= -0.006788 logG= -0.016299 Density= 0.139065 ETOT(band)= 0.002971 trlgG= -0.015937 logG= -0.016299 TDE= -0.133160 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009501 tlogG= -0.008405 logG= -0.017906 Density= 0.140928 ETOT(band)= 0.005080 trlgG= -0.015387 logG= -0.017906 TDE= -0.132790 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002361 tlogG= -0.002338 logG= -0.004699 Density= 0.034892 ETOT(band)= 0.000943 trlgG= -0.004392 logG= -0.004699 TDE= -0.033194 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009469 tlogG= -0.007950 logG= -0.017419 Density= 0.138894 ETOT(band)= 0.003283 trlgG= -0.016553 logG= -0.017419 TDE= -0.132491 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009553 tlogG= -0.007301 logG= -0.016854 Density= 0.141062 ETOT(band)= 0.005281 trlgG= -0.014244 logG= -0.016854 TDE= -0.132828 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004708 tlogG= 0.104057 logG= 0.099349 Density= 0.069170 ETOT(band)= 0.001283 trlgG= 0.099395 logG= 0.099349 TDE= -0.066367 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.49318619942782 eV TrLogG= -14.0166091396457 eV Ratio to renormalize= 0.999999999869 rho-rho_expected= 0.000000002093 nargs= 1 argi=dmft2.def 4) Finished k-point number 5 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 27) Finished k-point number 28 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 29) Finished k-point number 30 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 13) Finished k-point number 14 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 1) Finished k-point number 2 1 with #bands= 26 35) Finished k-point number 36 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 32) Finished k-point number 33 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 99) Finished k-point number 100 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 63) Finished k-point number 64 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 49) Finished k-point number 50 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 102) Finished k-point number 103 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 90) Finished k-point number 91 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931403615490872 0.927977327009488 16) Finished k-point number 17 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 12) Finished k-point number 13 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 52) Finished k-point number 53 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 62) Finished k-point number 63 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 68) Finished k-point number 69 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0632956133734 Density= 15.9999324372542 16.0000000000000 EF 13.3354094454870 Density= 16.5038087748770 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98013460 0.96013460 0.503809 -0.675627E-04 1 0.97013460 0.96013462 0.260984 -0.675628E-04 2 0.96513461 0.96013485 0.133433 -0.675628E-04 3 0.96263473 0.96013498 0.676116E-01 -0.675628E-04 4 0.96138485 0.96013468 0.340367E-01 -0.675627E-04 5 0.96075976 0.96013459 0.170540E-01 -0.675628E-04 6 0.96044718 0.96013463 0.851057E-02 -0.675628E-04 7 0.96029090 0.96013485 0.422632E-02 -0.675628E-04 8 0.96021288 0.96013498 0.208384E-02 -0.675627E-04 9 0.96017393 0.96013467 0.101356E-02 -0.675628E-04 10 0.96015430 0.96013483 0.474033E-03 -0.675628E-04 11 0.96014456 0.96013475 0.206304E-03 -0.675628E-04 12 0.96013966 0.96013455 0.713838E-04 -0.675627E-04 13 0.96013689 0.96013932 -0.461876E-05 0.713838E-04 14 0.96013704 0.96013932 -0.565881E-06 0.713838E-04 15 0.96013706 0.96013932 -0.445127E-08 0.713838E-04 16 0.96013706 0.96013932 -0.456879E-11 0.713838E-04 Absolute convergence of |F(X)|. Difference in EF= 0.0000334264 EF set to : 13.0633290397 new EF (no-mixing): 13.0633290397 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.009754 tlogG= -0.009479 logG= -0.019232 Density= 0.151662 ETOT(band)= 0.010058 trlgG= -0.012398 logG= -0.019232 TDE= -0.138783 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.001222 tlogG= -0.001242 logG= -0.002465 Density= 0.018971 ETOT(band)= 0.001226 trlgG= -0.001641 logG= -0.002465 TDE= -0.017391 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002441 tlogG= -0.002067 logG= -0.004509 Density= 0.037417 ETOT(band)= 0.002555 trlgG= -0.002808 logG= -0.004509 TDE= -0.034225 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.002437 tlogG= -0.002391 logG= -0.004827 Density= 0.037890 ETOT(band)= 0.002544 trlgG= -0.003092 logG= -0.004827 TDE= -0.034645 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.001595 tlogG= -0.001311 logG= -0.002906 Density= 0.022777 ETOT(band)= -0.000171 trlgG= -0.003521 logG= -0.002906 TDE= -0.022484 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009780 tlogG= -0.008014 logG= -0.017795 Density= 0.150479 ETOT(band)= 0.010391 trlgG= -0.010743 logG= -0.017795 TDE= -0.137429 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009803 tlogG= -0.006644 logG= -0.016446 Density= 0.143892 ETOT(band)= 0.004995 trlgG= -0.014627 logG= -0.016446 TDE= -0.136336 logGD-logG0= -0.009784 tlogG= -0.008620 logG= -0.018404 Density= 0.150694 ETOT(band)= 0.010487 trlgG= -0.011275 logG= -0.018404 TDE= -0.137558 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004893 tlogG= -0.004170 logG= -0.009062 Density= 0.075450 ETOT(band)= 0.005129 trlgG= -0.005611 logG= -0.009062 TDE= -0.068992 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004873 tlogG= -0.004592 logG= -0.009465 Density= 0.075804 ETOT(band)= 0.005108 trlgG= -0.005970 logG= -0.009465 TDE= -0.069288 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009795 tlogG= -0.008752 logG= -0.018547 Density= 0.151164 ETOT(band)= 0.010501 trlgG= -0.011363 logG= -0.018547 TDE= -0.137954 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019539 tlogG= -0.014688 logG= -0.034227 Density= 0.299027 ETOT(band)= 0.020694 trlgG= -0.020017 logG= -0.034227 TDE= -0.272896 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009755 tlogG= -0.007756 logG= -0.017511 Density= 0.149822 ETOT(band)= 0.010784 trlgG= -0.010032 logG= -0.017511 TDE= -0.136371 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009795 tlogG= -0.006596 logG= -0.016391 Density= 0.147191 ETOT(band)= 0.008343 trlgG= -0.011283 logG= -0.016391 TDE= -0.136216 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003183 tlogG= -0.002516 logG= -0.005699 Density= 0.045378 ETOT(band)= -0.000342 trlgG= -0.006971 logG= -0.005699 TDE= -0.044841 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003136 tlogG= -0.002592 logG= -0.005729 Density= 0.045893 ETOT(band)= 0.000584 trlgG= -0.005922 logG= -0.005729 TDE= -0.044257 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009560 tlogG= -0.007425 logG= -0.016986 Density= 0.136754 ETOT(band)= -0.000695 trlgG= -0.020501 logG= -0.016986 TDE= -0.134818 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003164 tlogG= -0.002542 logG= -0.005706 Density= 0.045617 ETOT(band)= 0.000073 trlgG= -0.006490 logG= -0.005706 TDE= -0.044582 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009536 tlogG= -0.007265 logG= -0.016801 Density= 0.136674 ETOT(band)= -0.000245 trlgG= -0.019851 logG= -0.016801 TDE= -0.134275 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009552 tlogG= -0.007338 logG= -0.016890 Density= 0.136623 ETOT(band)= -0.000641 trlgG= -0.020368 logG= -0.016890 TDE= -0.134654 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009480 tlogG= -0.007331 logG= -0.016811 logGD-logG0= -0.009798 tlogG= -0.007519 logG= -0.017317 Density= 0.148857 ETOT(band)= 0.010643 trlgG= -0.009958 logG= -0.017317 TDE= -0.135565 Density= 0.137359 ETOT(band)= 0.001075 trlgG= -0.018296 logG= -0.016811 TDE= -0.133368 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009625 tlogG= -0.005910 logG= -0.015534 Density= 0.138077 ETOT(band)= 0.001004 trlgG= -0.017456 logG= -0.015534 TDE= -0.134495 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009861 tlogG= -0.007106 logG= -0.016967 Density= 0.147529 ETOT(band)= 0.009043 trlgG= -0.011188 logG= -0.016967 TDE= -0.135869 logGD-logG0= -0.009834 tlogG= -0.006481 logG= -0.016315 Density= 0.142594 ETOT(band)= 0.004392 trlgG= -0.014979 logG= -0.016315 TDE= -0.135574 logGD-logG0= -0.019559 tlogG= -0.015806 logG= -0.035365 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.301120 ETOT(band)= 0.020714 trlgG= -0.021335 logG= -0.035365 TDE= -0.275087 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009641 tlogG= -0.006108 logG= -0.015749 Density= 0.138673 ETOT(band)= 0.001568 trlgG= -0.017030 logG= -0.015749 TDE= -0.134426 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009606 tlogG= -0.005589 logG= -0.015195 Density= 0.136830 ETOT(band)= 0.000292 trlgG= -0.017825 logG= -0.015195 TDE= -0.134005 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009734 tlogG= -0.006548 logG= -0.016281 Density= 0.143576 ETOT(band)= 0.006829 trlgG= -0.012344 logG= -0.016281 TDE= -0.133916 logGD-logG0= -0.019721 tlogG= -0.012712 logG= -0.032433 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.285344 ETOT(band)= 0.008430 trlgG= -0.030224 logG= -0.032433 TDE= -0.271761 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009562 tlogG= -0.006824 logG= -0.016386 Density= 0.137507 ETOT(band)= 0.000253 trlgG= -0.019081 logG= -0.016386 TDE= -0.134720 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019222 tlogG= -0.011902 logG= -0.031124 Density= 0.277914 ETOT(band)= 0.003982 trlgG= -0.033086 logG= -0.031124 TDE= -0.268798 logGD-logG0= -0.019113 tlogG= -0.013650 logG= -0.032764 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.275186 ETOT(band)= 0.001138 trlgG= -0.037391 logG= -0.032764 TDE= -0.268844 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019152 tlogG= -0.012295 logG= -0.031447 Density= 0.278956 ETOT(band)= 0.006460 trlgG= -0.030590 logG= -0.031447 TDE= -0.266979 logGD-logG0= -0.019477 tlogG= -0.012007 logG= -0.031484 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.281534 ETOT(band)= 0.006928 trlgG= -0.030515 logG= -0.031484 TDE= -0.269343 logGD-logG0= -0.019240 tlogG= -0.012053 logG= -0.031293 Density= 0.278268 ETOT(band)= 0.004037 trlgG= -0.033244 logG= -0.031293 TDE= -0.269126 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009755 tlogG= -0.004842 logG= -0.014598 Density= 0.131153 ETOT(band)= -0.005054 trlgG= -0.022376 logG= -0.014598 TDE= -0.133703 logGD-logG0= -0.019425 tlogG= -0.010119 logG= -0.029544 Density= 0.264262 ETOT(band)= -0.008172 trlgG= -0.043198 logG= -0.029544 TDE= -0.267381 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019045 tlogG= -0.013691 logG= -0.032736 Density= 0.275865 ETOT(band)= 0.002980 trlgG= -0.035132 logG= -0.032736 TDE= -0.267264 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019328 tlogG= -0.010789 logG= -0.030116 Density= 0.271328 ETOT(band)= -0.002206 trlgG= -0.038099 logG= -0.030116 TDE= -0.268496 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019148 tlogG= -0.011584 logG= -0.030733 Density= 0.276475 ETOT(band)= 0.003863 trlgG= -0.032623 logG= -0.030733 TDE= -0.267344 logGD-logG0= -0.000391 tlogG= 0.008635 logG= 0.008243 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.005718 ETOT(band)= 0.000063 trlgG= 0.008202 logG= 0.008243 TDE= -0.005531 logGD-logG0= -0.019763 tlogG= -0.012699 logG= -0.032462 Density= 0.289725 ETOT(band)= 0.014965 trlgG= -0.023588 logG= -0.032462 TDE= -0.269301 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019344 tlogG= -0.011397 logG= -0.030741 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.275405 ETOT(band)= 0.001191 trlgG= -0.035296 logG= -0.030741 TDE= -0.268983 logGD-logG0= -0.019366 tlogG= -0.011625 logG= -0.030990 Density= 0.270015 ETOT(band)= -0.004687 trlgG= -0.041371 logG= -0.030990 TDE= -0.269632 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019221 tlogG= -0.012203 logG= -0.031424 Density= 0.278090 ETOT(band)= 0.004448 trlgG= -0.032761 logG= -0.031424 TDE= -0.268342 logGD-logG0= -0.019582 tlogG= -0.011853 logG= -0.031435 Density= 0.280361 ETOT(band)= 0.004492 trlgG= -0.032999 logG= -0.031435 TDE= -0.270748 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009744 tlogG= -0.005172 logG= -0.014916 Density= 0.139916 ETOT(band)= 0.002869 trlgG= -0.015016 logG= -0.014916 TDE= -0.134438 logGD-logG0= -0.019519 tlogG= -0.011084 logG= -0.030603 Density= 0.278184 ETOT(band)= 0.003702 trlgG= -0.032774 logG= -0.030603 TDE= -0.269266 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009651 tlogG= -0.005598 logG= -0.015249 Density= 0.133690 ETOT(band)= -0.003180 trlgG= -0.021208 logG= -0.015249 TDE= -0.134320 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009703 tlogG= -0.005243 logG= -0.014946 Density= 0.136872 ETOT(band)= -0.000145 trlgG= -0.017854 logG= -0.014946 TDE= -0.134324 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009692 tlogG= -0.005462 logG= -0.015153 Density= 0.135827 ETOT(band)= -0.001349 trlgG= -0.019194 logG= -0.015153 TDE= -0.134453 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009564 tlogG= -0.006811 logG= -0.016376 Density= 0.138489 ETOT(band)= 0.001675 trlgG= -0.017416 logG= -0.016376 TDE= -0.134008 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009683 tlogG= -0.005107 logG= -0.014790 Density= 0.136400 ETOT(band)= -0.000490 trlgG= -0.017953 logG= -0.014790 TDE= -0.134126 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004830 tlogG= -0.003082 logG= -0.007912 Density= 0.067566 ETOT(band)= -0.001267 trlgG= -0.010593 logG= -0.007912 TDE= -0.067554 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002464 tlogG= -0.001860 logG= -0.004324 Density= 0.036962 ETOT(band)= 0.002605 trlgG= -0.002503 logG= -0.004324 TDE= -0.033668 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009665 tlogG= -0.006331 logG= -0.015996 Density= 0.140322 ETOT(band)= 0.003388 trlgG= -0.015414 logG= -0.015996 TDE= -0.134146 logGD-logG0= -0.009516 tlogG= -0.007296 logG= -0.016813 Density= 0.136908 ETOT(band)= 0.000167 trlgG= -0.019366 logG= -0.016813 TDE= -0.134004 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004924 tlogG= -0.003555 logG= -0.008478 Density= 0.074732 ETOT(band)= 0.004979 trlgG= -0.005131 logG= -0.008478 TDE= -0.068405 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009669 tlogG= -0.005987 logG= -0.015656 Density= 0.135825 ETOT(band)= -0.001508 trlgG= -0.020006 logG= -0.015656 TDE= -0.134761 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009511 tlogG= -0.006789 logG= -0.016300 Density= 0.139065 ETOT(band)= 0.002972 trlgG= -0.015938 logG= -0.016300 TDE= -0.133160 logGD-logG0= -0.009437 tlogG= -0.008787 logG= -0.018224 Density= 0.139483 ETOT(band)= 0.003711 trlgG= -0.016937 logG= -0.018224 TDE= -0.132636 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002361 tlogG= -0.002338 logG= -0.004699 Density= 0.034892 ETOT(band)= 0.000943 trlgG= -0.004392 logG= -0.004699 TDE= -0.033194 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009487 tlogG= -0.007722 logG= -0.017209 Density= 0.138629 ETOT(band)= 0.002905 trlgG= -0.016672 logG= -0.017209 TDE= -0.132565 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004850 tlogG= -0.002640 logG= -0.007490 Density= 0.068627 ETOT(band)= 0.000059 trlgG= -0.008861 logG= -0.007490 TDE= -0.067263 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019439 tlogG= -0.010401 logG= -0.029840 logGD-logG0= -0.009880 tlogG= -0.006490 logG= -0.016370 Density= 0.143179 ETOT(band)= 0.004437 trlgG= -0.015093 logG= -0.016370 TDE= -0.136194 Density= 0.278065 ETOT(band)= 0.004566 trlgG= -0.031099 logG= -0.029840 TDE= -0.268240 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009786 tlogG= -0.007157 logG= -0.016943 Density= 0.144965 ETOT(band)= 0.008456 trlgG= -0.011287 logG= -0.016943 TDE= -0.133529 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009501 tlogG= -0.008406 logG= -0.017907 Density= 0.140928 ETOT(band)= 0.005081 trlgG= -0.015386 logG= -0.017907 TDE= -0.132790 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002409 tlogG= -0.001964 logG= -0.004372 Density= 0.035821 ETOT(band)= 0.001778 trlgG= -0.003256 logG= -0.004372 TDE= -0.033277 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009679 tlogG= -0.005429 logG= -0.015108 Density= 0.133006 ETOT(band)= -0.003818 trlgG= -0.021644 logG= -0.015108 TDE= -0.134240 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019416 tlogG= -0.010548 logG= -0.029965 Density= 0.272245 ETOT(band)= -0.001900 trlgG= -0.037482 logG= -0.029965 TDE= -0.268910 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009541 tlogG= -0.006495 logG= -0.016036 Density= 0.137663 ETOT(band)= 0.000972 trlgG= -0.017942 logG= -0.016036 TDE= -0.134081 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009541 tlogG= -0.006857 logG= -0.016398 Density= 0.139411 ETOT(band)= 0.003951 trlgG= -0.015036 logG= -0.016398 TDE= -0.132491 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004845 tlogG= -0.002560 logG= -0.007405 Density= 0.065412 ETOT(band)= -0.002656 trlgG= -0.011335 logG= -0.007405 TDE= -0.066735 logGD-logG0= -0.004829 tlogG= -0.002811 logG= -0.007639 Density= 0.068424 ETOT(band)= 0.000790 trlgG= -0.008234 logG= -0.007639 TDE= -0.066291 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009706 tlogG= -0.005295 logG= -0.015001 Density= 0.133874 ETOT(band)= -0.001824 trlgG= -0.019598 logG= -0.015001 TDE= -0.133134 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019464 tlogG= -0.010024 logG= -0.029488 Density= 0.267161 ETOT(band)= -0.006156 trlgG= -0.041167 logG= -0.029488 TDE= -0.268190 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009570 tlogG= -0.006628 logG= -0.016198 Density= 0.137899 ETOT(band)= 0.000713 trlgG= -0.018420 logG= -0.016198 TDE= -0.134623 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009899 tlogG= -0.005947 logG= -0.015845 Density= 0.144022 ETOT(band)= 0.006423 trlgG= -0.012458 logG= -0.015845 TDE= -0.134894 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009436 tlogG= -0.009018 logG= -0.018453 Density= 0.139676 ETOT(band)= 0.003900 trlgG= -0.017044 logG= -0.018453 TDE= -0.132699 logGD-logG0= -0.009742 tlogG= -0.004981 logG= -0.014723 Density= 0.130896 ETOT(band)= -0.004594 trlgG= -0.022029 logG= -0.014723 TDE= -0.132985 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009906 tlogG= -0.006691 logG= -0.016596 Density= 0.145836 ETOT(band)= 0.008910 trlgG= -0.010798 logG= -0.016596 TDE= -0.134224 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019325 tlogG= -0.013185 logG= -0.032509 Density= 0.284845 ETOT(band)= 0.012799 trlgG= -0.025412 logG= -0.032509 TDE= -0.266392 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009768 tlogG= -0.005668 logG= -0.015436 Density= 0.141478 ETOT(band)= 0.005392 trlgG= -0.013058 logG= -0.015436 TDE= -0.133460 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019093 tlogG= -0.013918 logG= -0.033011 Density= 0.277667 ETOT(band)= 0.006284 trlgG= -0.031813 logG= -0.033011 TDE= -0.265400 logGD-logG0= -0.009534 tlogG= -0.007376 logG= -0.016909 Density= 0.137605 ETOT(band)= 0.001635 trlgG= -0.017794 logG= -0.016909 TDE= -0.133005 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019376 tlogG= -0.010476 logG= -0.029852 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.274690 ETOT(band)= 0.002176 trlgG= -0.033427 logG= -0.029852 TDE= -0.267314 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009577 tlogG= -0.006596 logG= -0.016173 Density= 0.137846 ETOT(band)= 0.000739 trlgG= -0.018401 logG= -0.016173 TDE= -0.134579 logGD-logG0= -0.009578 tlogG= -0.006640 logG= -0.016218 Density= 0.140881 ETOT(band)= 0.005351 trlgG= -0.013648 logG= -0.016218 TDE= -0.132695 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019261 tlogG= -0.011638 logG= -0.030899 Density= 0.276973 ETOT(band)= 0.005853 trlgG= -0.030699 logG= -0.030899 TDE= -0.265733 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018984 tlogG= -0.015707 logG= -0.034691 Density= 0.280534 ETOT(band)= 0.009157 trlgG= -0.030535 logG= -0.034691 TDE= -0.265195 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009469 tlogG= -0.007951 logG= -0.017420 Density= 0.138894 ETOT(band)= 0.003284 trlgG= -0.016553 logG= -0.017420 TDE= -0.132491 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009553 tlogG= -0.007301 logG= -0.016854 Density= 0.141062 ETOT(band)= 0.005282 trlgG= -0.014243 logG= -0.016854 TDE= -0.132828 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009598 tlogG= -0.007503 logG= -0.017101 Density= 0.142548 ETOT(band)= 0.006579 trlgG= -0.013191 logG= -0.017101 TDE= -0.132956 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003146 tlogG= 0.069488 logG= 0.066342 Density= 0.046221 ETOT(band)= 0.000959 trlgG= 0.066485 logG= 0.066342 TDE= -0.044235 logGD-logG0= -0.003135 tlogG= 0.069204 logG= 0.066068 Density= 0.045864 ETOT(band)= 0.000630 trlgG= 0.065858 logG= 0.066068 TDE= -0.044246 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003165 tlogG= 0.069885 logG= 0.066720 Density= 0.046296 ETOT(band)= 0.001063 trlgG= 0.066983 logG= 0.066720 TDE= -0.044187 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002352 tlogG= 0.051922 logG= 0.049570 Density= 0.034462 ETOT(band)= 0.000524 trlgG= 0.049470 logG= 0.049570 TDE= -0.033188 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004735 tlogG= -0.004007 logG= -0.008742 Density= 0.069971 ETOT(band)= 0.002161 trlgG= -0.007818 logG= -0.008742 TDE= -0.066258 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009432 tlogG= 0.208480 logG= 0.199047 Density= 0.138635 ETOT(band)= 0.002907 trlgG= 0.199427 logG= 0.199047 TDE= -0.132728 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009469 tlogG= 0.209180 logG= 0.199711 Density= 0.139147 ETOT(band)= 0.003444 trlgG= 0.200663 logG= 0.199711 TDE= -0.132648 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004708 tlogG= 0.104058 logG= 0.099351 Density= 0.069170 ETOT(band)= 0.001284 trlgG= 0.099397 logG= 0.099351 TDE= -0.066367 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009592 tlogG= -0.006325 logG= -0.015917 Density= 0.137431 ETOT(band)= 0.001656 trlgG= -0.017067 logG= -0.015917 TDE= -0.133102 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Sum of eigenvalues= 4.49354792669829 eV TrLogG= -14.0163085948326 eV Ratio to renormalize= 0.999999999718 rho-rho_expected= 0.000000004515 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 7) Finished k-point number 8 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 41) Finished k-point number 42 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 44) Finished k-point number 45 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 46) Finished k-point number 47 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 64) Finished k-point number 65 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 18) Finished k-point number 19 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 77) Finished k-point number 78 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 54) Finished k-point number 55 1 with #bands= 18 49) Finished k-point number 50 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 74) Finished k-point number 75 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 55) Finished k-point number 56 1 with #bands= 20 72) Finished k-point number 73 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 76) Finished k-point number 77 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 103) Finished k-point number 104 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 86) Finished k-point number 87 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 95) Finished k-point number 96 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931351841037876 0.928034289284154 35) Finished k-point number 36 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 56) Finished k-point number 57 1 with #bands= 18 0) Finished k-point number 1 1 with #bands= 26 6) Finished k-point number 7 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 2) Finished k-point number 3 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 43) Finished k-point number 44 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 34) Finished k-point number 35 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 66) Finished k-point number 67 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 16) Finished k-point number 17 1 with #bands= 22 32) Finished k-point number 33 1 with #bands= 24 52) Finished k-point number 53 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 93) Finished k-point number 94 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 59) Finished k-point number 60 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 91) Finished k-point number 92 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 98) Finished k-point number 99 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 101) Finished k-point number 102 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 20) Finished k-point number 21 1 with #bands= 26 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0633290397458 Density= 15.9999811016137 16.0000000000000 EF 13.3354428718593 Density= 16.5038835951051 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98013706 0.96013706 0.503884 -0.188984E-04 1 0.97013706 0.96013708 0.261040 -0.188984E-04 2 0.96513707 0.96013731 0.133488 -0.188984E-04 3 0.96263719 0.96013696 0.676644E-01 -0.188984E-04 4 0.96138707 0.96013713 0.340811E-01 -0.188984E-04 5 0.96076210 0.96013728 0.171006E-01 -0.188984E-04 6 0.96044969 0.96013697 0.856146E-02 -0.188984E-04 7 0.96029333 0.96013736 0.427447E-02 -0.188984E-04 8 0.96021535 0.96013693 0.213307E-02 -0.188984E-04 9 0.96017614 0.96013715 0.105554E-02 -0.188984E-04 10 0.96015664 0.96013704 0.519560E-03 -0.188984E-04 11 0.96014684 0.96013709 0.250020E-03 -0.188984E-04 12 0.96014197 0.96013730 0.115986E-03 -0.188984E-04 13 0.96013963 0.96013720 0.518690E-04 -0.188984E-04 14 0.96013842 0.96013725 0.183581E-04 -0.188984E-04 15 0.96013783 0.96013725 0.232839E-05 -0.188984E-04 16 0.96013776 0.96013725 0.280893E-06 -0.188984E-04 17 0.96013775 0.96013725 0.834880E-08 -0.188984E-04 18 0.96013775 0.96013725 0.336087E-10 -0.188984E-04 Absolute convergence of |F(X)|. Difference in EF= 0.0000093491 EF set to : 13.0633383889 new EF (no-mixing): 13.0633383889 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001222 tlogG= -0.001242 logG= -0.002465 Density= 0.018971 ETOT(band)= 0.001226 trlgG= -0.001641 logG= -0.002465 TDE= -0.017391 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002437 tlogG= -0.002391 logG= -0.004827 Density= 0.037890 ETOT(band)= 0.002544 trlgG= -0.003092 logG= -0.004827 TDE= -0.034645 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002441 tlogG= -0.002067 logG= -0.004509 Density= 0.037417 ETOT(band)= 0.002555 trlgG= -0.002808 logG= -0.004509 TDE= -0.034225 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001595 tlogG= -0.001311 logG= -0.002906 Density= 0.022777 ETOT(band)= -0.000170 trlgG= -0.003521 logG= -0.002906 TDE= -0.022484 logGD-logG0= -0.009754 tlogG= -0.009479 logG= -0.019233 Density= 0.151663 ETOT(band)= 0.010058 trlgG= -0.012399 logG= -0.019233 TDE= -0.138783 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009784 tlogG= -0.008621 logG= -0.018405 Density= 0.150695 ETOT(band)= 0.010487 trlgG= -0.011275 logG= -0.018405 TDE= -0.137558 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009781 tlogG= -0.008015 logG= -0.017795 Density= 0.150479 ETOT(band)= 0.010391 trlgG= -0.010744 logG= -0.017795 TDE= -0.137429 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009795 tlogG= -0.006596 logG= -0.016392 Density= 0.147193 ETOT(band)= 0.008345 trlgG= -0.011282 logG= -0.016392 TDE= -0.136216 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009755 tlogG= -0.007757 logG= -0.017512 Density= 0.149824 ETOT(band)= 0.010785 trlgG= -0.010032 logG= -0.017512 TDE= -0.136371 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003182 tlogG= -0.002517 logG= -0.005699 Density= 0.045378 ETOT(band)= -0.000341 trlgG= -0.006970 logG= -0.005699 TDE= -0.044841 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003136 tlogG= -0.002593 logG= -0.005729 Density= 0.045894 ETOT(band)= 0.000585 trlgG= -0.005922 logG= -0.005729 TDE= -0.044257 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004893 tlogG= -0.004170 logG= -0.009063 Density= 0.075451 ETOT(band)= 0.005129 trlgG= -0.005611 logG= -0.009063 TDE= -0.068992 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003165 tlogG= -0.002543 logG= -0.005707 Density= 0.045617 ETOT(band)= 0.000073 trlgG= -0.006491 logG= -0.005707 TDE= -0.044582 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009552 tlogG= -0.007337 logG= -0.016889 Density= 0.136622 ETOT(band)= -0.000642 trlgG= -0.020367 logG= -0.016889 TDE= -0.134654 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009560 tlogG= -0.007424 logG= -0.016984 Density= 0.136753 ETOT(band)= -0.000696 trlgG= -0.020501 logG= -0.016984 TDE= -0.134818 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009803 tlogG= -0.006645 logG= -0.016448 Density= 0.143891 ETOT(band)= 0.004994 trlgG= -0.014629 logG= -0.016448 TDE= -0.136337 logGD-logG0= -0.019560 tlogG= -0.015806 logG= -0.035366 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.301121 ETOT(band)= 0.020715 trlgG= -0.021335 logG= -0.035366 TDE= -0.275087 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009538 tlogG= -0.007265 logG= -0.016804 Density= 0.136673 ETOT(band)= -0.000244 trlgG= -0.019854 logG= -0.016804 TDE= -0.134276 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004873 tlogG= -0.004592 logG= -0.009465 Density= 0.075805 ETOT(band)= 0.005108 trlgG= -0.005970 logG= -0.009465 TDE= -0.069288 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009481 tlogG= -0.007330 logG= -0.016811 Density= 0.137359 ETOT(band)= 0.001075 trlgG= -0.018296 logG= -0.016811 TDE= -0.133368 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009798 tlogG= -0.007520 logG= -0.017318 Density= 0.148857 ETOT(band)= 0.010643 trlgG= -0.009959 logG= -0.017318 TDE= -0.135565 logGD-logG0= -0.009564 tlogG= -0.006810 logG= -0.016374 Density= 0.138489 ETOT(band)= 0.001675 trlgG= -0.017414 logG= -0.016374 TDE= -0.134008 logGD-logG0= -0.009834 tlogG= -0.006482 logG= -0.016316 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.142591 ETOT(band)= 0.004389 trlgG= -0.014983 logG= -0.016316 TDE= -0.135574 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009516 tlogG= -0.007296 logG= -0.016812 Density= 0.136909 ETOT(band)= 0.000167 trlgG= -0.019366 logG= -0.016812 TDE= -0.134005 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009541 tlogG= -0.006495 logG= -0.016036 Density= 0.137663 ETOT(band)= 0.000971 trlgG= -0.017942 logG= -0.016036 TDE= -0.134082 logGD-logG0= -0.009511 tlogG= -0.006788 logG= -0.016299 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.139065 ETOT(band)= 0.002971 trlgG= -0.015937 logG= -0.016299 TDE= -0.133160 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009651 tlogG= -0.005598 logG= -0.015249 Density= 0.133692 ETOT(band)= -0.003179 trlgG= -0.021206 logG= -0.015249 TDE= -0.134320 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009570 tlogG= -0.006628 logG= -0.016198 Density= 0.137898 ETOT(band)= 0.000711 trlgG= -0.018420 logG= -0.016198 TDE= -0.134623 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009605 tlogG= -0.005587 logG= -0.015192 Density= 0.136827 ETOT(band)= 0.000289 trlgG= -0.017825 logG= -0.015192 TDE= -0.134005 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009562 tlogG= -0.006825 logG= -0.016387 Density= 0.137507 ETOT(band)= 0.000254 trlgG= -0.019082 logG= -0.016387 TDE= -0.134720 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009734 tlogG= -0.006549 logG= -0.016282 Density= 0.143577 ETOT(band)= 0.006830 trlgG= -0.012345 logG= -0.016282 TDE= -0.133916 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009669 tlogG= -0.005987 logG= -0.015656 Density= 0.135826 ETOT(band)= -0.001508 trlgG= -0.020006 logG= -0.015656 TDE= -0.134761 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004924 tlogG= -0.003555 logG= -0.008479 Density= 0.074732 ETOT(band)= 0.004980 trlgG= -0.005131 logG= -0.008479 TDE= -0.068405 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000391 tlogG= 0.008635 logG= 0.008243 Density= 0.005718 ETOT(band)= 0.000063 trlgG= 0.008202 logG= 0.008243 TDE= -0.005531 logGD-logG0= -0.019327 tlogG= -0.010790 logG= -0.030117 Density= 0.271322 ETOT(band)= -0.002213 trlgG= -0.038107 logG= -0.030117 TDE= -0.268496 logGD-logG0= -0.019045 tlogG= -0.013695 logG= -0.032740 Density= 0.275865 ETOT(band)= 0.002980 trlgG= -0.035136 logG= -0.032740 TDE= -0.267265 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.019478 tlogG= -0.012008 logG= -0.031486 Density= 0.281531 ETOT(band)= 0.006926 trlgG= -0.030520 logG= -0.031486 TDE= -0.269343 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019422 tlogG= -0.010115 logG= -0.029538 Density= 0.264242 ETOT(band)= -0.008194 trlgG= -0.043210 logG= -0.029538 TDE= -0.267381 logGD-logG0= -0.009861 tlogG= -0.007109 logG= -0.016970 Density= 0.147549 ETOT(band)= 0.009064 trlgG= -0.011172 logG= -0.016970 TDE= -0.135869 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019221 tlogG= -0.012205 logG= -0.031427 Density= 0.278090 ETOT(band)= 0.004447 trlgG= -0.032764 logG= -0.031427 TDE= -0.268342 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019763 tlogG= -0.012700 logG= -0.032462 Density= 0.289716 ETOT(band)= 0.014956 trlgG= -0.023596 logG= -0.032462 TDE= -0.269302 logGD-logG0= -0.009625 tlogG= -0.005910 logG= -0.015534 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.138076 ETOT(band)= 0.001003 trlgG= -0.017457 logG= -0.015534 TDE= -0.134495 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009754 tlogG= -0.004841 logG= -0.014595 Density= 0.131149 ETOT(band)= -0.005060 trlgG= -0.022377 logG= -0.014595 TDE= -0.133703 logGD-logG0= -0.019376 tlogG= -0.010485 logG= -0.029861 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004830 tlogG= -0.003080 logG= -0.007910 Density= 0.274724 ETOT(band)= 0.002211 trlgG= -0.033403 logG= -0.029861 TDE= -0.267315 Density= 0.067562 ETOT(band)= -0.001271 trlgG= -0.010595 logG= -0.007910 TDE= -0.067554 logGD-logG0= -0.019583 tlogG= -0.011855 logG= -0.031438 Density= 0.280362 ETOT(band)= 0.004493 trlgG= -0.033001 logG= -0.031438 TDE= -0.270749 logGD-logG0= -0.009665 tlogG= -0.006331 logG= -0.015996 Density= 0.140320 ETOT(band)= 0.003386 trlgG= -0.015415 logG= -0.015996 TDE= -0.134146 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019414 tlogG= -0.010546 logG= -0.029960 Density= 0.272249 ETOT(band)= -0.001898 trlgG= -0.037474 logG= -0.029960 TDE= -0.268910 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019114 tlogG= -0.013652 logG= -0.032767 Density= 0.275187 ETOT(band)= 0.001139 trlgG= -0.037393 logG= -0.032767 TDE= -0.268844 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009703 tlogG= -0.005243 logG= -0.014946 Density= 0.136873 ETOT(band)= -0.000145 trlgG= -0.017854 logG= -0.014946 TDE= -0.134324 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019240 tlogG= -0.012062 logG= -0.031302 Density= 0.278271 ETOT(band)= 0.004039 trlgG= -0.033250 logG= -0.031302 TDE= -0.269126 logGD-logG0= -0.009692 tlogG= -0.005462 logG= -0.015154 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.135828 ETOT(band)= -0.001349 trlgG= -0.019194 logG= -0.015154 TDE= -0.134454 logGD-logG0= -0.009684 tlogG= -0.005108 logG= -0.014792 Density= 0.136399 ETOT(band)= -0.000490 trlgG= -0.017956 logG= -0.014792 TDE= -0.134127 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004850 tlogG= -0.002641 logG= -0.007490 logGD-logG0= -0.004843 tlogG= -0.002559 logG= -0.007402 Density= 0.065410 ETOT(band)= -0.002660 trlgG= -0.011335 logG= -0.007402 TDE= -0.066735 Density= 0.068628 ETOT(band)= 0.000059 trlgG= -0.008861 logG= -0.007490 TDE= -0.067263 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019147 tlogG= -0.011585 logG= -0.030732 Density= 0.276476 ETOT(band)= 0.003863 trlgG= -0.032622 logG= -0.030732 TDE= -0.267344 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009641 tlogG= -0.006105 logG= -0.015746 logGD-logG0= -0.019153 tlogG= -0.012285 logG= -0.031438 Density= 0.138672 ETOT(band)= 0.001566 trlgG= -0.017028 logG= -0.015746 TDE= -0.134427 Density= 0.278957 ETOT(band)= 0.006463 trlgG= -0.030580 logG= -0.031438 TDE= -0.266980 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009437 tlogG= -0.008788 logG= -0.018225 Density= 0.139483 ETOT(band)= 0.003711 trlgG= -0.016937 logG= -0.018225 TDE= -0.132636 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009679 tlogG= -0.005425 logG= -0.015104 Density= 0.132999 ETOT(band)= -0.003826 trlgG= -0.021647 logG= -0.015104 TDE= -0.134240 logGD-logG0= -0.019365 tlogG= -0.011623 logG= -0.030989 Density= 0.270023 ETOT(band)= -0.004680 trlgG= -0.041362 logG= -0.030989 TDE= -0.269633 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002464 tlogG= -0.001860 logG= -0.004324 Density= 0.036962 ETOT(band)= 0.002605 trlgG= -0.002503 logG= -0.004324 TDE= -0.033668 logGD-logG0= -0.009795 tlogG= -0.008753 logG= -0.018548 Density= 0.151165 ETOT(band)= 0.010501 trlgG= -0.011363 logG= -0.018548 TDE= -0.137954 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019222 tlogG= -0.011908 logG= -0.031130 Density= 0.277914 ETOT(band)= 0.003981 trlgG= -0.033094 logG= -0.031130 TDE= -0.268799 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009488 tlogG= -0.007722 logG= -0.017210 Density= 0.138629 ETOT(band)= 0.002905 trlgG= -0.016673 logG= -0.017210 TDE= -0.132566 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009578 tlogG= -0.006594 logG= -0.016171 Density= 0.137847 ETOT(band)= 0.000740 trlgG= -0.018398 logG= -0.016171 TDE= -0.134579 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009880 tlogG= -0.006490 logG= -0.016371 Density= 0.143182 ETOT(band)= 0.004440 trlgG= -0.015090 logG= -0.016371 TDE= -0.136194 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009553 tlogG= -0.007301 logG= -0.016854 Density= 0.141062 ETOT(band)= 0.005281 trlgG= -0.014243 logG= -0.016854 TDE= -0.132828 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019345 tlogG= -0.011398 logG= -0.030743 Density= 0.275402 ETOT(band)= 0.001189 trlgG= -0.035302 logG= -0.030743 TDE= -0.268983 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009786 tlogG= -0.007158 logG= -0.016944 Density= 0.144965 ETOT(band)= 0.008456 trlgG= -0.011287 logG= -0.016944 TDE= -0.133530 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009745 tlogG= -0.005171 logG= -0.014916 Density= 0.139918 ETOT(band)= 0.002872 trlgG= -0.015014 logG= -0.014916 TDE= -0.134439 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004829 tlogG= -0.002810 logG= -0.007638 Density= 0.068422 ETOT(band)= 0.000789 trlgG= -0.008234 logG= -0.007638 TDE= -0.066291 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002361 tlogG= -0.002338 logG= -0.004699 Density= 0.034892 ETOT(band)= 0.000943 trlgG= -0.004392 logG= -0.004699 TDE= -0.033194 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019539 tlogG= -0.014690 logG= -0.034229 Density= 0.299030 ETOT(band)= 0.020697 trlgG= -0.020015 logG= -0.034229 TDE= -0.272897 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019440 tlogG= -0.010404 logG= -0.029844 logGD-logG0= -0.002409 tlogG= -0.001964 logG= -0.004373 Density= 0.278042 ETOT(band)= 0.004543 trlgG= -0.031126 logG= -0.029844 TDE= -0.268240 Density= 0.035821 ETOT(band)= 0.001778 trlgG= -0.003256 logG= -0.004373 TDE= -0.033277 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009742 tlogG= -0.004982 logG= -0.014724 Density= 0.130899 ETOT(band)= -0.004592 trlgG= -0.022028 logG= -0.014724 TDE= -0.132985 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019093 tlogG= -0.013920 logG= -0.033013 Density= 0.277667 ETOT(band)= 0.006285 trlgG= -0.031814 logG= -0.033013 TDE= -0.265400 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009598 tlogG= -0.007504 logG= -0.017102 Density= 0.142548 ETOT(band)= 0.006579 trlgG= -0.013192 logG= -0.017102 TDE= -0.132956 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018983 tlogG= -0.015709 logG= -0.034692 Density= 0.280534 ETOT(band)= 0.009156 trlgG= -0.030537 logG= -0.034692 TDE= -0.265196 logGD-logG0= -0.019464 tlogG= -0.010022 logG= -0.029486 Density= 0.267145 ETOT(band)= -0.006172 trlgG= -0.041181 logG= -0.029486 TDE= -0.268191 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019257 tlogG= -0.011633 logG= -0.030890 Density= 0.276961 ETOT(band)= 0.005838 trlgG= -0.030703 logG= -0.030890 TDE= -0.265733 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019519 tlogG= -0.011086 logG= -0.030605 Density= 0.278187 ETOT(band)= 0.003704 trlgG= -0.032774 logG= -0.030605 TDE= -0.269266 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009578 tlogG= -0.006642 logG= -0.016221 Density= 0.140882 ETOT(band)= 0.005351 trlgG= -0.013650 logG= -0.016221 TDE= -0.132695 logGD-logG0= -0.009591 tlogG= -0.006324 logG= -0.015915 Density= 0.137433 ETOT(band)= 0.001657 trlgG= -0.017063 logG= -0.015915 TDE= -0.133102 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019721 tlogG= -0.012709 logG= -0.032431 Density= 0.285351 ETOT(band)= 0.008437 trlgG= -0.030216 logG= -0.032431 TDE= -0.271761 logGD-logG0= -0.009533 tlogG= -0.007375 logG= -0.016908 Density= 0.137606 ETOT(band)= 0.001634 trlgG= -0.017792 logG= -0.016908 TDE= -0.133005 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009436 tlogG= -0.009018 logG= -0.018454 Density= 0.139676 ETOT(band)= 0.003899 trlgG= -0.017045 logG= -0.018454 TDE= -0.132699 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004736 tlogG= -0.004007 logG= -0.008743 Density= 0.069971 ETOT(band)= 0.002161 trlgG= -0.007819 logG= -0.008743 TDE= -0.066258 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002352 tlogG= 0.051922 logG= 0.049570 Density= 0.034462 ETOT(band)= 0.000524 trlgG= 0.049470 logG= 0.049570 TDE= -0.033188 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003135 tlogG= 0.069204 logG= 0.066068 Density= 0.045864 ETOT(band)= 0.000630 trlgG= 0.065858 logG= 0.066068 TDE= -0.044246 logGD-logG0= -0.009469 tlogG= -0.007951 logG= -0.017420 Density= 0.138894 ETOT(band)= 0.003284 trlgG= -0.016553 logG= -0.017420 TDE= -0.132491 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003146 tlogG= 0.069487 logG= 0.066342 Density= 0.046221 ETOT(band)= 0.000959 trlgG= 0.066485 logG= 0.066342 TDE= -0.044235 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009541 tlogG= -0.006858 logG= -0.016399 logGD-logG0= -0.009707 tlogG= -0.005296 logG= -0.015003 Density= 0.139412 ETOT(band)= 0.003952 trlgG= -0.015036 logG= -0.016399 TDE= -0.132491 Density= 0.133879 ETOT(band)= -0.001818 trlgG= -0.019594 logG= -0.015003 TDE= -0.133134 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009899 tlogG= -0.005947 logG= -0.015846 Density= 0.144023 ETOT(band)= 0.006424 trlgG= -0.012458 logG= -0.015846 TDE= -0.134894 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009501 tlogG= -0.008406 logG= -0.017908 Density= 0.140928 ETOT(band)= 0.005081 trlgG= -0.015387 logG= -0.017908 TDE= -0.132790 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009432 tlogG= 0.208480 logG= 0.199047 Density= 0.138635 ETOT(band)= 0.002907 trlgG= 0.199428 logG= 0.199047 TDE= -0.132728 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009469 tlogG= 0.209180 logG= 0.199711 Density= 0.139147 ETOT(band)= 0.003443 trlgG= 0.200664 logG= 0.199711 TDE= -0.132648 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004708 tlogG= 0.104058 logG= 0.099350 Density= 0.069170 ETOT(band)= 0.001284 trlgG= 0.099396 logG= 0.099350 TDE= -0.066367 logGD-logG0= -0.009906 tlogG= -0.006691 logG= -0.016597 Density= 0.145837 ETOT(band)= 0.008910 trlgG= -0.010798 logG= -0.016597 TDE= -0.134224 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003165 tlogG= 0.069885 logG= 0.066720 Density= 0.046296 ETOT(band)= 0.001063 trlgG= 0.066983 logG= 0.066720 TDE= -0.044188 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.019325 tlogG= -0.013185 logG= -0.032510 Density= 0.284845 ETOT(band)= 0.012800 trlgG= -0.025412 logG= -0.032510 TDE= -0.266393 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009768 tlogG= -0.005668 logG= -0.015436 Density= 0.141479 ETOT(band)= 0.005393 trlgG= -0.013057 logG= -0.015436 TDE= -0.133460 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Sum of eigenvalues= 4.49322837908819 eV TrLogG= -14.0167863122665 eV Ratio to renormalize= 0.999999999715 rho-rho_expected= 0.000000004553 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 13) Finished k-point number 14 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 10) Finished k-point number 11 1 with #bands= 24 8) Finished k-point number 9 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 4) Finished k-point number 5 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 25) Finished k-point number 26 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 42) Finished k-point number 43 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 39) Finished k-point number 40 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 34) Finished k-point number 35 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 36) Finished k-point number 37 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 57) Finished k-point number 58 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 54) Finished k-point number 55 1 with #bands= 18 55) Finished k-point number 56 1 with #bands= 20 56) Finished k-point number 57 1 with #bands= 18 52) Finished k-point number 53 1 with #bands= 22 53) Finished k-point number 54 1 with #bands= 18 51) Finished k-point number 52 1 with #bands= 20 60) Finished k-point number 61 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 98) Finished k-point number 99 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 71) Finished k-point number 72 1 with #bands= 24 75) Finished k-point number 76 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 80) Finished k-point number 81 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 92) Finished k-point number 93 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 86) Finished k-point number 87 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931439004075956 0.927964441579998 27) Finished k-point number 28 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 4) Finished k-point number 5 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 12) Finished k-point number 13 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 3) Finished k-point number 4 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 2) Finished k-point number 3 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 54) Finished k-point number 55 1 with #bands= 18 9) Finished k-point number 10 1 with #bands= 26 53) Finished k-point number 54 1 with #bands= 18 43) Finished k-point number 44 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 87) Finished k-point number 88 1 with #bands= 18 29) Finished k-point number 30 1 with #bands= 24 48) Finished k-point number 49 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 41) Finished k-point number 42 1 with #bands= 24 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 42) Finished k-point number 43 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 85) Finished k-point number 86 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 58) Finished k-point number 59 1 with #bands= 24 39) Finished k-point number 40 1 with #bands= 24 76) Finished k-point number 77 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 81) Finished k-point number 82 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0633383888886 Density= 15.9993246562192 16.0000000000000 EF 13.3354522210022 Density= 16.5033663498052 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98013775 0.96013775 0.503366 -0.675344E-03 1 0.97013775 0.96013777 0.260467 -0.675344E-03 2 0.96513776 0.96013752 0.132881 -0.675344E-03 3 0.96263764 0.96013764 0.670286E-01 -0.675344E-03 4 0.96138764 0.96013758 0.334357E-01 -0.675344E-03 5 0.96076261 0.96013737 0.164466E-01 -0.675344E-03 6 0.96044999 0.96013748 0.789808E-02 -0.675343E-03 7 0.96029373 0.96013766 0.361210E-02 -0.675344E-03 8 0.96021570 0.96013781 0.146834E-02 -0.675344E-03 9 0.96017675 0.96013750 0.397612E-03 -0.675344E-03 10 0.96016220 0.96017675 -0.274749E-05 0.397612E-03 11 0.96016230 0.96016220 0.266258E-09 -0.274749E-05 12 0.96016230 0.96016230 -0.248431E-08 0.266258E-09 13 0.96016230 0.96016230 -0.248431E-08 0.266258E-09 Absolute convergence of the X interval. Difference in EF= 0.0003340034 EF set to : 13.0636723922 new EF (no-mixing): 13.0636723922 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.004873 tlogG= -0.004592 logG= -0.009465 Density= 0.075804 ETOT(band)= 0.005109 trlgG= -0.005970 logG= -0.009465 TDE= -0.069288 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009754 tlogG= -0.009479 logG= -0.019233 Density= 0.151661 ETOT(band)= 0.010059 trlgG= -0.012398 logG= -0.019233 TDE= -0.138784 logGD-logG0= -0.001222 tlogG= -0.001242 logG= -0.002465 Density= 0.018971 ETOT(band)= 0.001226 trlgG= -0.001641 logG= -0.002465 TDE= -0.017392 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002437 tlogG= -0.002391 logG= -0.004827 Density= 0.037890 ETOT(band)= 0.002544 trlgG= -0.003092 logG= -0.004827 TDE= -0.034645 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002441 tlogG= -0.002067 logG= -0.004509 Density= 0.037416 ETOT(band)= 0.002555 trlgG= -0.002808 logG= -0.004509 TDE= -0.034225 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001595 tlogG= -0.001311 logG= -0.002906 Density= 0.022777 ETOT(band)= -0.000170 trlgG= -0.003521 logG= -0.002906 TDE= -0.022484 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009755 tlogG= -0.007756 logG= -0.017511 Density= 0.149820 ETOT(band)= 0.010785 trlgG= -0.010032 logG= -0.017511 TDE= -0.136372 logGD-logG0= -0.009795 tlogG= -0.008753 logG= -0.018547 Density= 0.151162 ETOT(band)= 0.010502 trlgG= -0.011363 logG= -0.018547 TDE= -0.137955 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009784 tlogG= -0.008620 logG= -0.018404 Density= 0.150692 ETOT(band)= 0.010488 trlgG= -0.011275 logG= -0.018404 TDE= -0.137559 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019539 tlogG= -0.014689 logG= -0.034227 Density= 0.299022 ETOT(band)= 0.020695 trlgG= -0.020016 logG= -0.034227 TDE= -0.272899 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009795 tlogG= -0.006596 logG= -0.016391 Density= 0.147190 ETOT(band)= 0.008345 trlgG= -0.011282 logG= -0.016391 TDE= -0.136217 logGD-logG0= -0.019560 tlogG= -0.015805 logG= -0.035365 Density= 0.301116 ETOT(band)= 0.020716 trlgG= -0.021334 logG= -0.035365 TDE= -0.275089 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004893 tlogG= -0.004171 logG= -0.009063 Density= 0.075451 ETOT(band)= 0.005131 trlgG= -0.005611 logG= -0.009063 TDE= -0.068993 logGD-logG0= -0.003183 tlogG= -0.002516 logG= -0.005699 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.045377 ETOT(band)= -0.000341 trlgG= -0.006970 logG= -0.005699 TDE= -0.044841 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003136 tlogG= -0.002592 logG= -0.005728 Density= 0.045893 ETOT(band)= 0.000585 trlgG= -0.005921 logG= -0.005728 TDE= -0.044258 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009560 tlogG= -0.007423 logG= -0.016983 Density= 0.136752 ETOT(band)= -0.000694 trlgG= -0.020498 logG= -0.016983 TDE= -0.134819 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003165 tlogG= -0.002542 logG= -0.005707 Density= 0.045617 ETOT(band)= 0.000074 trlgG= -0.006490 logG= -0.005707 TDE= -0.044582 logGD-logG0= -0.009553 tlogG= -0.007338 logG= -0.016891 Density= 0.136621 ETOT(band)= -0.000639 trlgG= -0.020367 logG= -0.016891 TDE= -0.134655 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009781 tlogG= -0.008014 logG= -0.017795 Density= 0.150476 ETOT(band)= 0.010392 trlgG= -0.010743 logG= -0.017795 TDE= -0.137430 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009803 tlogG= -0.006644 logG= -0.016446 Density= 0.143894 ETOT(band)= 0.005000 trlgG= -0.014622 logG= -0.016446 TDE= -0.136337 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009537 tlogG= -0.007264 logG= -0.016801 Density= 0.136672 ETOT(band)= -0.000242 trlgG= -0.019850 logG= -0.016801 TDE= -0.134276 logGD-logG0= -0.009481 tlogG= -0.007329 logG= -0.016810 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137358 ETOT(band)= 0.001077 trlgG= -0.018293 logG= -0.016810 TDE= -0.133369 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009569 tlogG= -0.006625 logG= -0.016194 Density= 0.137898 ETOT(band)= 0.000715 trlgG= -0.018413 logG= -0.016194 TDE= -0.134624 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009542 tlogG= -0.006496 logG= -0.016037 Density= 0.137663 ETOT(band)= 0.000975 trlgG= -0.017940 logG= -0.016037 TDE= -0.134082 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009834 tlogG= -0.006483 logG= -0.016317 logGD-logG0= -0.009511 tlogG= -0.006789 logG= -0.016301 Density= 0.142597 ETOT(band)= 0.004398 trlgG= -0.014975 logG= -0.016317 TDE= -0.135575 Density= 0.139065 ETOT(band)= 0.002974 trlgG= -0.015937 logG= -0.016301 TDE= -0.133160 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004844 tlogG= -0.002558 logG= -0.007402 logGD-logG0= -0.009665 tlogG= -0.006330 logG= -0.015995 Density= 0.140322 ETOT(band)= 0.003391 trlgG= -0.015410 logG= -0.015995 TDE= -0.134147 Density= 0.065404 ETOT(band)= -0.002663 trlgG= -0.011339 logG= -0.007402 TDE= -0.066736 logGD-logG0= -0.009578 tlogG= -0.006593 logG= -0.016171 Density= 0.137847 ETOT(band)= 0.000744 trlgG= -0.018395 logG= -0.016171 TDE= -0.134579 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009669 tlogG= -0.005985 logG= -0.015654 Density= 0.135824 ETOT(band)= -0.001506 trlgG= -0.020002 logG= -0.015654 TDE= -0.134761 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009565 tlogG= -0.006809 logG= -0.016374 Density= 0.138489 ETOT(band)= 0.001678 trlgG= -0.017411 logG= -0.016374 TDE= -0.134009 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009605 tlogG= -0.005589 logG= -0.015195 logGD-logG0= -0.009734 tlogG= -0.006548 logG= -0.016281 Density= 0.143575 ETOT(band)= 0.006832 trlgG= -0.012342 logG= -0.016281 TDE= -0.133917 Density= 0.136822 ETOT(band)= 0.000288 trlgG= -0.017829 logG= -0.015195 TDE= -0.134006 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009651 tlogG= -0.005599 logG= -0.015250 Density= 0.133686 ETOT(band)= -0.003181 trlgG= -0.021210 logG= -0.015250 TDE= -0.134321 logGD-logG0= -0.009562 tlogG= -0.006825 logG= -0.016387 Density= 0.137508 ETOT(band)= 0.000258 trlgG= -0.019078 logG= -0.016387 TDE= -0.134721 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019327 tlogG= -0.010787 logG= -0.030114 Density= 0.271324 ETOT(band)= -0.002205 trlgG= -0.038096 logG= -0.030114 TDE= -0.268497 logGD-logG0= -0.009880 tlogG= -0.006490 logG= -0.016370 logGD-logG0= -0.019421 tlogG= -0.010113 logG= -0.029535 Density= 0.143180 ETOT(band)= 0.004441 trlgG= -0.015089 logG= -0.016370 TDE= -0.136195 Density= 0.264243 ETOT(band)= -0.008187 trlgG= -0.043200 logG= -0.029535 TDE= -0.267382 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019152 tlogG= -0.012294 logG= -0.031446 Density= 0.278960 ETOT(band)= 0.006470 trlgG= -0.030580 logG= -0.031446 TDE= -0.266981 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019222 tlogG= -0.011908 logG= -0.031130 logGD-logG0= -0.019479 tlogG= -0.012006 logG= -0.031484 Density= 0.281532 ETOT(band)= 0.006933 trlgG= -0.030513 logG= -0.031484 TDE= -0.269345 Density= 0.277911 ETOT(band)= 0.003985 trlgG= -0.033090 logG= -0.031130 TDE= -0.268800 logGD-logG0= -0.009798 tlogG= -0.007519 logG= -0.017317 Density= 0.148854 ETOT(band)= 0.010644 trlgG= -0.009959 logG= -0.017317 TDE= -0.135566 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019114 tlogG= -0.013647 logG= -0.032761 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.275187 ETOT(band)= 0.001145 trlgG= -0.037383 logG= -0.032761 TDE= -0.268845 logGD-logG0= -0.009624 tlogG= -0.005910 logG= -0.015534 Density= 0.138077 ETOT(band)= 0.001007 trlgG= -0.017453 logG= -0.015534 TDE= -0.134495 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009861 tlogG= -0.007106 logG= -0.016967 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.147530 ETOT(band)= 0.009047 trlgG= -0.011184 logG= -0.016967 TDE= -0.135870 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019220 tlogG= -0.012204 logG= -0.031424 Density= 0.278089 ETOT(band)= 0.004453 trlgG= -0.032757 logG= -0.031424 TDE= -0.268343 logGD-logG0= -0.019438 tlogG= -0.010404 logG= -0.029842 Density= 0.278054 ETOT(band)= 0.004561 trlgG= -0.031106 logG= -0.029842 TDE= -0.268241 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019240 tlogG= -0.012053 logG= -0.031293 Density= 0.278268 ETOT(band)= 0.004043 trlgG= -0.033238 logG= -0.031293 TDE= -0.269128 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004924 tlogG= -0.003555 logG= -0.008478 Density= 0.074731 ETOT(band)= 0.004980 trlgG= -0.005130 logG= -0.008478 TDE= -0.068406 logGD-logG0= -0.000391 tlogG= 0.008635 logG= 0.008243 Density= 0.005718 ETOT(band)= 0.000063 trlgG= 0.008203 logG= 0.008243 TDE= -0.005531 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019763 tlogG= -0.012700 logG= -0.032463 Density= 0.289723 ETOT(band)= 0.014969 trlgG= -0.023585 logG= -0.032463 TDE= -0.269303 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 logGD-logG0= -0.009680 tlogG= -0.005428 logG= -0.015108 Density= 0.133000 ETOT(band)= -0.003821 trlgG= -0.021648 logG= -0.015108 TDE= -0.134241 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019148 tlogG= -0.011581 logG= -0.030729 Density= 0.276481 ETOT(band)= 0.003875 trlgG= -0.032608 logG= -0.030729 TDE= -0.267346 logGD-logG0= -0.019044 tlogG= -0.013695 logG= -0.032740 logGD-logG0= -0.009745 tlogG= -0.005171 logG= -0.014916 Density= 0.275863 ETOT(band)= 0.002984 trlgG= -0.035132 logG= -0.032740 TDE= -0.267265 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.139922 ETOT(band)= 0.002879 trlgG= -0.015007 logG= -0.014916 TDE= -0.134439 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009756 tlogG= -0.004844 logG= -0.014600 Density= 0.131155 ETOT(band)= -0.005050 trlgG= -0.022373 logG= -0.014600 TDE= -0.133704 logGD-logG0= -0.009516 tlogG= -0.007296 logG= -0.016812 Density= 0.136907 ETOT(band)= 0.000169 trlgG= -0.019364 logG= -0.016812 TDE= -0.134005 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019520 tlogG= -0.011088 logG= -0.030608 Density= 0.278203 ETOT(band)= 0.003726 trlgG= -0.032755 logG= -0.030608 TDE= -0.269267 logGD-logG0= -0.019464 tlogG= -0.010023 logG= -0.029488 Density= 0.267171 ETOT(band)= -0.006139 trlgG= -0.041152 logG= -0.029488 TDE= -0.268192 logGD-logG0= -0.009899 tlogG= -0.005947 logG= -0.015845 Density= 0.144023 ETOT(band)= 0.006427 trlgG= -0.012455 logG= -0.015845 TDE= -0.134895 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019722 tlogG= -0.012709 logG= -0.032431 Density= 0.285354 ETOT(band)= 0.008446 trlgG= -0.030208 logG= -0.032431 TDE= -0.271763 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019582 tlogG= -0.011852 logG= -0.031434 logGD-logG0= -0.019378 tlogG= -0.010483 logG= -0.029861 Density= 0.280360 ETOT(band)= 0.004497 trlgG= -0.032993 logG= -0.031434 TDE= -0.270750 Density= 0.274722 ETOT(band)= 0.002216 trlgG= -0.033399 logG= -0.029861 TDE= -0.267316 logGD-logG0= -0.009641 tlogG= -0.006109 logG= -0.015749 Density= 0.138674 ETOT(band)= 0.001571 trlgG= -0.017027 logG= -0.015749 TDE= -0.134427 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019415 tlogG= -0.010546 logG= -0.029961 Density= 0.272245 ETOT(band)= -0.001896 trlgG= -0.037473 logG= -0.029961 TDE= -0.268911 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009683 tlogG= -0.005106 logG= -0.014790 Density= 0.136399 ETOT(band)= -0.000489 trlgG= -0.017952 logG= -0.014790 TDE= -0.134127 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009693 tlogG= -0.005463 logG= -0.015156 Density= 0.135825 ETOT(band)= -0.001347 trlgG= -0.019197 logG= -0.015156 TDE= -0.134454 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009703 tlogG= -0.005243 logG= -0.014946 Density= 0.136873 ETOT(band)= -0.000141 trlgG= -0.017850 logG= -0.014946 TDE= -0.134325 logGD-logG0= -0.019364 tlogG= -0.011620 logG= -0.030985 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.270014 ETOT(band)= -0.004683 trlgG= -0.041361 logG= -0.030985 TDE= -0.269634 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004850 tlogG= -0.002640 logG= -0.007490 Density= 0.068627 ETOT(band)= 0.000060 trlgG= -0.008860 logG= -0.007490 TDE= -0.067263 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019345 tlogG= -0.011398 logG= -0.030742 Density= 0.275407 ETOT(band)= 0.001199 trlgG= -0.035291 logG= -0.030742 TDE= -0.268984 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004830 tlogG= -0.003081 logG= -0.007911 Density= 0.067563 ETOT(band)= -0.001269 trlgG= -0.010594 logG= -0.007911 TDE= -0.067555 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002464 tlogG= -0.001860 logG= -0.004324 Density= 0.036962 ETOT(band)= 0.002606 trlgG= -0.002502 logG= -0.004324 TDE= -0.033668 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002361 tlogG= -0.002338 logG= -0.004699 Density= 0.034892 ETOT(band)= 0.000944 trlgG= -0.004391 logG= -0.004699 TDE= -0.033194 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009553 tlogG= -0.007301 logG= -0.016854 Density= 0.141063 ETOT(band)= 0.005285 trlgG= -0.014240 logG= -0.016854 TDE= -0.132829 logGD-logG0= -0.009488 tlogG= -0.007725 logG= -0.017213 Density= 0.138628 ETOT(band)= 0.002908 trlgG= -0.016674 logG= -0.017213 TDE= -0.132566 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009437 tlogG= -0.008787 logG= -0.018224 Density= 0.139483 ETOT(band)= 0.003714 trlgG= -0.016933 logG= -0.018224 TDE= -0.132636 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002409 tlogG= -0.001964 logG= -0.004372 Density= 0.035821 ETOT(band)= 0.001778 trlgG= -0.003255 logG= -0.004372 TDE= -0.033277 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004736 tlogG= -0.004007 logG= -0.008743 Density= 0.069971 ETOT(band)= 0.002162 trlgG= -0.007818 logG= -0.008743 TDE= -0.066258 logGD-logG0= -0.009786 tlogG= -0.007157 logG= -0.016943 Density= 0.144965 ETOT(band)= 0.008460 trlgG= -0.011283 logG= -0.016943 TDE= -0.133530 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009542 tlogG= -0.006858 logG= -0.016400 Density= 0.139412 ETOT(band)= 0.003956 trlgG= -0.015034 logG= -0.016400 TDE= -0.132492 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009501 tlogG= -0.008406 logG= -0.017907 Density= 0.140928 ETOT(band)= 0.005084 trlgG= -0.015384 logG= -0.017907 TDE= -0.132791 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009592 tlogG= -0.006323 logG= -0.015915 Density= 0.137431 ETOT(band)= 0.001660 trlgG= -0.017062 logG= -0.015915 TDE= -0.133103 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009436 tlogG= -0.009018 logG= -0.018453 Density= 0.139676 ETOT(band)= 0.003903 trlgG= -0.017041 logG= -0.018453 TDE= -0.132699 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009906 tlogG= -0.006691 logG= -0.016597 Density= 0.145836 ETOT(band)= 0.008912 trlgG= -0.010795 logG= -0.016597 TDE= -0.134225 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009598 tlogG= -0.007503 logG= -0.017101 Density= 0.142548 ETOT(band)= 0.006583 trlgG= -0.013188 logG= -0.017101 TDE= -0.132957 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019324 tlogG= -0.013184 logG= -0.032508 Density= 0.284847 ETOT(band)= 0.012807 trlgG= -0.025403 logG= -0.032508 TDE= -0.266394 logGD-logG0= -0.009533 tlogG= -0.007373 logG= -0.016906 logGD-logG0= -0.018983 tlogG= -0.015708 logG= -0.034691 Density= 0.280534 ETOT(band)= 0.009163 trlgG= -0.030530 logG= -0.034691 TDE= -0.265197 Density= 0.137606 ETOT(band)= 0.001638 trlgG= -0.017788 logG= -0.016906 TDE= -0.133006 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009744 tlogG= -0.004984 logG= -0.014728 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.130904 ETOT(band)= -0.004583 trlgG= -0.022025 logG= -0.014728 TDE= -0.132986 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009707 tlogG= -0.005295 logG= -0.015002 Density= 0.133877 ETOT(band)= -0.001818 trlgG= -0.019593 logG= -0.015002 TDE= -0.133134 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009768 tlogG= -0.005668 logG= -0.015436 Density= 0.141480 ETOT(band)= 0.005397 trlgG= -0.013053 logG= -0.015436 TDE= -0.133461 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019264 tlogG= -0.011643 logG= -0.030907 Density= 0.276974 ETOT(band)= 0.005862 trlgG= -0.030701 logG= -0.030907 TDE= -0.265734 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004828 tlogG= -0.002810 logG= -0.007639 logGD-logG0= -0.009577 tlogG= -0.006641 logG= -0.016219 Density= 0.140881 ETOT(band)= 0.005353 trlgG= -0.013645 logG= -0.016219 TDE= -0.132696 Density= 0.068423 ETOT(band)= 0.000791 trlgG= -0.008233 logG= -0.007639 TDE= -0.066291 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009469 tlogG= -0.007951 logG= -0.017420 Density= 0.138894 ETOT(band)= 0.003286 trlgG= -0.016551 logG= -0.017420 TDE= -0.132491 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003165 tlogG= 0.069888 logG= 0.066723 Density= 0.046296 ETOT(band)= 0.001064 trlgG= 0.066987 logG= 0.066723 TDE= -0.044188 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002352 tlogG= 0.051923 logG= 0.049571 Density= 0.034461 ETOT(band)= 0.000524 trlgG= 0.049472 logG= 0.049571 TDE= -0.033188 logGD-logG0= -0.003135 tlogG= 0.069206 logG= 0.066070 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Density= 0.045864 ETOT(band)= 0.000631 trlgG= 0.065861 logG= 0.066070 TDE= -0.044246 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.019093 tlogG= -0.013917 logG= -0.033010 Density= 0.277667 ETOT(band)= 0.006292 trlgG= -0.031806 logG= -0.033010 TDE= -0.265401 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009432 tlogG= 0.208486 logG= 0.199054 Density= 0.138634 ETOT(band)= 0.002910 trlgG= 0.199437 logG= 0.199054 TDE= -0.132729 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004708 tlogG= 0.104060 logG= 0.099352 Density= 0.069170 ETOT(band)= 0.001285 trlgG= 0.099400 logG= 0.099352 TDE= -0.066367 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003146 tlogG= 0.069489 logG= 0.066343 Density= 0.046221 ETOT(band)= 0.000960 trlgG= 0.066488 logG= 0.066343 TDE= -0.044235 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009469 tlogG= 0.209187 logG= 0.199718 Density= 0.139147 ETOT(band)= 0.003446 trlgG= 0.200673 logG= 0.199718 TDE= -0.132649 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.49834268116191 eV TrLogG= -14.0117347495408 eV Ratio to renormalize= 0.999999999873 rho-rho_expected= 0.000000002035 nargs= 1 argi=dmft2.def 4) Finished k-point number 5 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 3) Finished k-point number 4 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 15) Finished k-point number 16 1 with #bands= 22 7) Finished k-point number 8 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 20) Finished k-point number 21 1 with #bands= 26 23) Finished k-point number 24 1 with #bands= 24 18) Finished k-point number 19 1 with #bands= 24 29) Finished k-point number 30 1 with #bands= 24 22) Finished k-point number 23 1 with #bands= 24 25) Finished k-point number 26 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 19) Finished k-point number 20 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 21) Finished k-point number 22 1 with #bands= 24 24) Finished k-point number 25 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 28) Finished k-point number 29 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 41) Finished k-point number 42 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 34) Finished k-point number 35 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 38) Finished k-point number 39 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 44) Finished k-point number 45 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 97) Finished k-point number 98 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 48) Finished k-point number 49 1 with #bands= 20 103) Finished k-point number 104 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 55) Finished k-point number 56 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 54) Finished k-point number 55 1 with #bands= 18 56) Finished k-point number 57 1 with #bands= 18 60) Finished k-point number 61 1 with #bands= 22 52) Finished k-point number 53 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 53) Finished k-point number 54 1 with #bands= 18 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 66) Finished k-point number 67 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 74) Finished k-point number 75 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 72) Finished k-point number 73 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 70) Finished k-point number 71 1 with #bands= 24 77) Finished k-point number 78 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 94) Finished k-point number 95 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 89) Finished k-point number 90 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 90) Finished k-point number 91 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931357549783777 0.928047248028841 7) Finished k-point number 8 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 24) Finished k-point number 25 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 22) Finished k-point number 23 1 with #bands= 24 23) Finished k-point number 24 1 with #bands= 24 10) Finished k-point number 11 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 11) Finished k-point number 12 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 27) Finished k-point number 28 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 1) Finished k-point number 2 1 with #bands= 26 26) Finished k-point number 27 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 21) Finished k-point number 22 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 30) Finished k-point number 31 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 19) Finished k-point number 20 1 with #bands= 26 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 87) Finished k-point number 88 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 44) Finished k-point number 45 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 43) Finished k-point number 44 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 61) Finished k-point number 62 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 79) Finished k-point number 80 1 with #bands= 20 34) Finished k-point number 35 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 38) Finished k-point number 39 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 97) Finished k-point number 98 1 with #bands= 20 62) Finished k-point number 63 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 82) Finished k-point number 83 1 with #bands= 22 96) Finished k-point number 97 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 40) Finished k-point number 41 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 92) Finished k-point number 93 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0636723922483 Density= 15.9997308951431 16.0000000000000 EF 13.3357862243618 Density= 16.5036977351129 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.98016230 0.96016230 0.503698 -0.269105E-03 1 0.97016230 0.96016232 0.260845 -0.269105E-03 2 0.96516231 0.96016254 0.133270 -0.269105E-03 3 0.96266243 0.96016219 0.674307E-01 -0.269105E-03 4 0.96141231 0.96016237 0.338392E-01 -0.269105E-03 5 0.96078734 0.96016252 0.168546E-01 -0.269105E-03 6 0.96047493 0.96016220 0.831334E-02 -0.269105E-03 7 0.96031857 0.96016260 0.402530E-02 -0.269105E-03 8 0.96024058 0.96016216 0.188338E-02 -0.269105E-03 9 0.96020137 0.96016238 0.805593E-03 -0.269105E-03 10 0.96018188 0.96016227 0.269484E-03 -0.269105E-03 11 0.96017204 0.96018182 -0.118748E-05 0.269484E-03 12 0.96017208 0.96018182 -0.649916E-08 0.269484E-03 13 0.96017208 0.96018182 -0.158096E-12 0.269484E-03 Absolute convergence of |F(X)|. Difference in EF= 0.0001331033 EF set to : 13.0638054956 new EF (no-mixing): 13.0638054956 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001222 tlogG= -0.001242 logG= -0.002465 Density= 0.018971 ETOT(band)= 0.001226 trlgG= -0.001641 logG= -0.002465 TDE= -0.017392 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009754 tlogG= -0.009479 logG= -0.019234 Density= 0.151660 ETOT(band)= 0.010060 trlgG= -0.012398 logG= -0.019234 TDE= -0.138784 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002437 tlogG= -0.002391 logG= -0.004828 Density= 0.037889 ETOT(band)= 0.002545 trlgG= -0.003092 logG= -0.004828 TDE= -0.034645 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004873 tlogG= -0.004592 logG= -0.009465 Density= 0.075803 ETOT(band)= 0.005109 trlgG= -0.005970 logG= -0.009465 TDE= -0.069289 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002441 tlogG= -0.002068 logG= -0.004509 Density= 0.037416 ETOT(band)= 0.002555 trlgG= -0.002808 logG= -0.004509 TDE= -0.034225 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001595 tlogG= -0.001312 logG= -0.002906 Density= 0.022777 ETOT(band)= -0.000170 trlgG= -0.003521 logG= -0.002906 TDE= -0.022484 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 logGD-logG0= -0.009803 tlogG= -0.006644 logG= -0.016447 logGD-logG0= -0.009784 tlogG= -0.008621 logG= -0.018405 Density= 0.150691 ETOT(band)= 0.010488 trlgG= -0.011276 logG= -0.018405 TDE= -0.137560 Density= 0.143897 ETOT(band)= 0.005004 trlgG= -0.014619 logG= -0.016447 TDE= -0.136338 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004893 tlogG= -0.004170 logG= -0.009063 Density= 0.075449 ETOT(band)= 0.005130 trlgG= -0.005612 logG= -0.009063 TDE= -0.068993 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009795 tlogG= -0.008753 logG= -0.018548 Density= 0.151161 ETOT(band)= 0.010502 trlgG= -0.011363 logG= -0.018548 TDE= -0.137956 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019560 tlogG= -0.015807 logG= -0.035367 Density= 0.301114 ETOT(band)= 0.020717 trlgG= -0.021335 logG= -0.035367 TDE= -0.275090 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019539 tlogG= -0.014690 logG= -0.034228 Density= 0.299023 ETOT(band)= 0.020699 trlgG= -0.020015 logG= -0.034228 TDE= -0.272899 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009781 tlogG= -0.008015 logG= -0.017795 Density= 0.150475 ETOT(band)= 0.010391 trlgG= -0.010744 logG= -0.017795 TDE= -0.137431 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003183 tlogG= -0.002517 logG= -0.005700 Density= 0.045378 ETOT(band)= -0.000340 trlgG= -0.006970 logG= -0.005700 TDE= -0.044841 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003165 tlogG= -0.002542 logG= -0.005706 Density= 0.045616 ETOT(band)= 0.000073 trlgG= -0.006490 logG= -0.005706 TDE= -0.044582 logGD-logG0= -0.003136 tlogG= -0.002592 logG= -0.005729 Density= 0.045893 ETOT(band)= 0.000586 trlgG= -0.005921 logG= -0.005729 TDE= -0.044258 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009560 tlogG= -0.007424 logG= -0.016984 Density= 0.136751 ETOT(band)= -0.000693 trlgG= -0.020498 logG= -0.016984 TDE= -0.134819 logGD-logG0= -0.009756 tlogG= -0.007757 logG= -0.017512 Density= 0.149820 ETOT(band)= 0.010786 trlgG= -0.010032 logG= -0.017512 TDE= -0.136372 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009537 tlogG= -0.007266 logG= -0.016803 Density= 0.136671 ETOT(band)= -0.000242 trlgG= -0.019852 logG= -0.016803 TDE= -0.134276 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009553 tlogG= -0.007337 logG= -0.016890 Density= 0.136621 ETOT(band)= -0.000638 trlgG= -0.020365 logG= -0.016890 TDE= -0.134655 logGD-logG0= -0.009795 tlogG= -0.006597 logG= -0.016392 Density= 0.147191 ETOT(band)= 0.008347 trlgG= -0.011281 logG= -0.016392 TDE= -0.136217 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009481 tlogG= -0.007328 logG= -0.016809 Density= 0.137357 ETOT(band)= 0.001078 trlgG= -0.018292 logG= -0.016809 TDE= -0.133369 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009569 tlogG= -0.006629 logG= -0.016198 Density= 0.137898 ETOT(band)= 0.000715 trlgG= -0.018417 logG= -0.016198 TDE= -0.134624 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009798 tlogG= -0.007519 logG= -0.017318 Density= 0.148854 ETOT(band)= 0.010645 trlgG= -0.009958 logG= -0.017318 TDE= -0.135566 logGD-logG0= -0.009542 tlogG= -0.006498 logG= -0.016040 Density= 0.137664 ETOT(band)= 0.000977 trlgG= -0.017941 logG= -0.016040 TDE= -0.134082 logGD-logG0= -0.004830 tlogG= -0.003081 logG= -0.007912 Density= 0.067566 ETOT(band)= -0.001266 trlgG= -0.010592 logG= -0.007912 TDE= -0.067555 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009734 tlogG= -0.006548 logG= -0.016282 logGD-logG0= -0.009624 tlogG= -0.005909 logG= -0.015533 Density= 0.143578 ETOT(band)= 0.006835 trlgG= -0.012339 logG= -0.016282 TDE= -0.133917 Density= 0.138076 ETOT(band)= 0.001006 trlgG= -0.017452 logG= -0.015533 TDE= -0.134496 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009512 tlogG= -0.006789 logG= -0.016301 Density= 0.139064 ETOT(band)= 0.002975 trlgG= -0.015936 logG= -0.016301 TDE= -0.133161 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009565 tlogG= -0.006811 logG= -0.016377 Density= 0.138488 ETOT(band)= 0.001679 trlgG= -0.017413 logG= -0.016377 TDE= -0.134009 logGD-logG0= -0.004844 tlogG= -0.002560 logG= -0.007403 Density= 0.065416 ETOT(band)= -0.002651 trlgG= -0.011328 logG= -0.007403 TDE= -0.066736 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009577 tlogG= -0.006593 logG= -0.016170 Density= 0.137846 ETOT(band)= 0.000743 trlgG= -0.018394 logG= -0.016170 TDE= -0.134580 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009516 tlogG= -0.007295 logG= -0.016811 Density= 0.136907 ETOT(band)= 0.000170 trlgG= -0.019362 logG= -0.016811 TDE= -0.134005 logGD-logG0= -0.009651 tlogG= -0.005599 logG= -0.015250 Density= 0.133685 ETOT(band)= -0.003181 trlgG= -0.021210 logG= -0.015250 TDE= -0.134321 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009562 tlogG= -0.006825 logG= -0.016387 Density= 0.137505 ETOT(band)= 0.000257 trlgG= -0.019079 logG= -0.016387 TDE= -0.134721 logGD-logG0= -0.019722 tlogG= -0.012711 logG= -0.032433 Density= 0.285357 ETOT(band)= 0.008451 trlgG= -0.030204 logG= -0.032433 TDE= -0.271763 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009669 tlogG= -0.005986 logG= -0.015655 Density= 0.135824 ETOT(band)= -0.001505 trlgG= -0.020002 logG= -0.015655 TDE= -0.134761 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009880 tlogG= -0.006490 logG= -0.016371 Density= 0.143184 ETOT(band)= 0.004446 trlgG= -0.015085 logG= -0.016371 TDE= -0.136195 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000391 tlogG= 0.008635 logG= 0.008243 Density= 0.005718 ETOT(band)= 0.000063 trlgG= 0.008203 logG= 0.008243 TDE= -0.005531 logGD-logG0= -0.019113 tlogG= -0.013647 logG= -0.032760 Density= 0.275186 ETOT(band)= 0.001146 trlgG= -0.037380 logG= -0.032760 TDE= -0.268846 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009755 tlogG= -0.004842 logG= -0.014597 Density= 0.131158 ETOT(band)= -0.005047 trlgG= -0.022367 logG= -0.014597 TDE= -0.133704 logGD-logG0= -0.019223 tlogG= -0.011911 logG= -0.031134 logGD-logG0= -0.019328 tlogG= -0.010788 logG= -0.030115 Density= 0.271327 ETOT(band)= -0.002200 trlgG= -0.038092 logG= -0.030115 TDE= -0.268498 Density= 0.277913 ETOT(band)= 0.003990 trlgG= -0.033090 logG= -0.031134 TDE= -0.268801 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019240 tlogG= -0.012054 logG= -0.031294 Density= 0.278265 ETOT(band)= 0.004042 trlgG= -0.033240 logG= -0.031294 TDE= -0.269128 logGD-logG0= -0.019152 tlogG= -0.012295 logG= -0.031447 Density= 0.278956 ETOT(band)= 0.006468 trlgG= -0.030583 logG= -0.031447 TDE= -0.266982 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019478 tlogG= -0.012008 logG= -0.031486 Density= 0.281540 ETOT(band)= 0.006942 trlgG= -0.030505 logG= -0.031486 TDE= -0.269345 logGD-logG0= -0.019422 tlogG= -0.010114 logG= -0.029536 logGD-logG0= -0.019363 tlogG= -0.011619 logG= -0.030983 Density= 0.264262 ETOT(band)= -0.008165 trlgG= -0.043182 logG= -0.029536 TDE= -0.267383 Density= 0.270016 ETOT(band)= -0.004679 trlgG= -0.041355 logG= -0.030983 TDE= -0.269634 logGD-logG0= -0.009834 tlogG= -0.006483 logG= -0.016317 Density= 0.142597 ETOT(band)= 0.004399 trlgG= -0.014975 logG= -0.016317 TDE= -0.135575 logGD-logG0= -0.019439 tlogG= -0.010405 logG= -0.029844 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019345 tlogG= -0.011397 logG= -0.030741 Density= 0.275407 ETOT(band)= 0.001201 trlgG= -0.035289 logG= -0.030741 TDE= -0.268985 Density= 0.278065 ETOT(band)= 0.004573 trlgG= -0.031096 logG= -0.029844 TDE= -0.268242 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009665 tlogG= -0.006329 logG= -0.015994 Density= 0.140324 ETOT(band)= 0.003393 trlgG= -0.015406 logG= -0.015994 TDE= -0.134147 logGD-logG0= -0.009745 tlogG= -0.005173 logG= -0.014917 Density= 0.139921 ETOT(band)= 0.002879 trlgG= -0.015009 logG= -0.014917 TDE= -0.134440 logGD-logG0= -0.019146 tlogG= -0.011585 logG= -0.030732 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.276475 ETOT(band)= 0.003870 trlgG= -0.032614 logG= -0.030732 TDE= -0.267346 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019414 tlogG= -0.010544 logG= -0.029958 Density= 0.272247 ETOT(band)= -0.001892 trlgG= -0.037467 logG= -0.029958 TDE= -0.268912 logGD-logG0= -0.019045 tlogG= -0.013696 logG= -0.032741 Density= 0.275862 ETOT(band)= 0.002986 trlgG= -0.035131 logG= -0.032741 TDE= -0.267266 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009678 tlogG= -0.005425 logG= -0.015102 Density= 0.132987 ETOT(band)= -0.003834 trlgG= -0.021653 logG= -0.015102 TDE= -0.134241 logGD-logG0= -0.019376 tlogG= -0.010476 logG= -0.029852 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.274695 ETOT(band)= 0.002190 trlgG= -0.033415 logG= -0.029852 TDE= -0.267316 logGD-logG0= -0.019520 tlogG= -0.011087 logG= -0.030607 Density= 0.278199 ETOT(band)= 0.003725 trlgG= -0.032756 logG= -0.030607 TDE= -0.269268 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009899 tlogG= -0.005947 logG= -0.015846 Density= 0.144025 ETOT(band)= 0.006429 trlgG= -0.012453 logG= -0.015846 TDE= -0.134895 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019464 tlogG= -0.010027 logG= -0.029491 Density= 0.267183 ETOT(band)= -0.006126 trlgG= -0.041142 logG= -0.029491 TDE= -0.268192 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009605 tlogG= -0.005588 logG= -0.015194 Density= 0.136824 ETOT(band)= 0.000291 trlgG= -0.017825 logG= -0.015194 TDE= -0.134006 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019763 tlogG= -0.012699 logG= -0.032462 Density= 0.289725 ETOT(band)= 0.014973 trlgG= -0.023581 logG= -0.032462 TDE= -0.269304 logGD-logG0= -0.009684 tlogG= -0.005107 logG= -0.014791 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.136400 ETOT(band)= -0.000486 trlgG= -0.017951 logG= -0.014791 TDE= -0.134127 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009861 tlogG= -0.007107 logG= -0.016968 Density= 0.147527 ETOT(band)= 0.009045 trlgG= -0.011187 logG= -0.016968 TDE= -0.135871 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004850 tlogG= -0.002640 logG= -0.007490 Density= 0.068627 ETOT(band)= 0.000061 trlgG= -0.008860 logG= -0.007490 TDE= -0.067263 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019583 tlogG= -0.011853 logG= -0.031435 Density= 0.280363 ETOT(band)= 0.004503 trlgG= -0.032989 logG= -0.031435 TDE= -0.270751 logGD-logG0= -0.009437 tlogG= -0.008787 logG= -0.018225 Density= 0.139482 ETOT(band)= 0.003715 trlgG= -0.016934 logG= -0.018225 TDE= -0.132636 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009641 tlogG= -0.006109 logG= -0.015750 Density= 0.138674 ETOT(band)= 0.001572 trlgG= -0.017028 logG= -0.015750 TDE= -0.134428 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019220 tlogG= -0.012203 logG= -0.031424 Density= 0.278092 ETOT(band)= 0.004458 trlgG= -0.032751 logG= -0.031424 TDE= -0.268344 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002361 tlogG= -0.002338 logG= -0.004699 Density= 0.034892 ETOT(band)= 0.000944 trlgG= -0.004391 logG= -0.004699 TDE= -0.033195 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009488 tlogG= -0.007723 logG= -0.017210 Density= 0.138628 ETOT(band)= 0.002909 trlgG= -0.016670 logG= -0.017210 TDE= -0.132566 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004924 tlogG= -0.003555 logG= -0.008479 Density= 0.074731 ETOT(band)= 0.004981 trlgG= -0.005130 logG= -0.008479 TDE= -0.068406 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009553 tlogG= -0.007301 logG= -0.016854 Density= 0.141063 ETOT(band)= 0.005286 trlgG= -0.014239 logG= -0.016854 TDE= -0.132829 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009533 tlogG= -0.007375 logG= -0.016908 Density= 0.137604 ETOT(band)= 0.001637 trlgG= -0.017790 logG= -0.016908 TDE= -0.133006 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009468 tlogG= -0.007949 logG= -0.017417 Density= 0.138893 ETOT(band)= 0.003286 trlgG= -0.016547 logG= -0.017417 TDE= -0.132492 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009502 tlogG= -0.008406 logG= -0.017908 Density= 0.140928 ETOT(band)= 0.005085 trlgG= -0.015384 logG= -0.017908 TDE= -0.132791 logGD-logG0= -0.004735 tlogG= -0.004007 logG= -0.008743 Density= 0.069971 ETOT(band)= 0.002163 trlgG= -0.007817 logG= -0.008743 TDE= -0.066258 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009703 tlogG= -0.005243 logG= -0.014946 Density= 0.136873 ETOT(band)= -0.000140 trlgG= -0.017849 logG= -0.014946 TDE= -0.134325 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009541 tlogG= -0.006857 logG= -0.016399 Density= 0.139411 ETOT(band)= 0.003955 trlgG= -0.015032 logG= -0.016399 TDE= -0.132492 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009591 tlogG= -0.006323 logG= -0.015915 Density= 0.137431 ETOT(band)= 0.001660 trlgG= -0.017060 logG= -0.015915 TDE= -0.133103 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002464 tlogG= -0.001860 logG= -0.004324 Density= 0.036962 ETOT(band)= 0.002606 trlgG= -0.002502 logG= -0.004324 TDE= -0.033668 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009692 tlogG= -0.005463 logG= -0.015155 logGD-logG0= -0.018983 tlogG= -0.015708 logG= -0.034692 Density= 0.135829 ETOT(band)= -0.001343 trlgG= -0.019190 logG= -0.015155 TDE= -0.134454 Density= 0.280533 ETOT(band)= 0.009165 trlgG= -0.030528 logG= -0.034692 TDE= -0.265197 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009743 tlogG= -0.004981 logG= -0.014724 Density= 0.130902 ETOT(band)= -0.004584 trlgG= -0.022021 logG= -0.014724 TDE= -0.132986 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009436 tlogG= -0.009018 logG= -0.018454 Density= 0.139675 ETOT(band)= 0.003903 trlgG= -0.017041 logG= -0.018454 TDE= -0.132699 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009768 tlogG= -0.005668 logG= -0.015436 Density= 0.141481 ETOT(band)= 0.005399 trlgG= -0.013051 logG= -0.015436 TDE= -0.133461 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009598 tlogG= -0.007504 logG= -0.017102 Density= 0.142548 ETOT(band)= 0.006584 trlgG= -0.013188 logG= -0.017102 TDE= -0.132957 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019261 tlogG= -0.011638 logG= -0.030899 Density= 0.276965 ETOT(band)= 0.005854 trlgG= -0.030700 logG= -0.030899 TDE= -0.265735 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009787 tlogG= -0.007158 logG= -0.016944 Density= 0.144966 ETOT(band)= 0.008462 trlgG= -0.011283 logG= -0.016944 TDE= -0.133531 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019094 tlogG= -0.013917 logG= -0.033011 Density= 0.277666 ETOT(band)= 0.006293 trlgG= -0.031806 logG= -0.033011 TDE= -0.265402 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004829 tlogG= -0.002811 logG= -0.007640 Density= 0.068421 ETOT(band)= 0.000789 trlgG= -0.008236 logG= -0.007640 TDE= -0.066291 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009707 tlogG= -0.005295 logG= -0.015002 Density= 0.133877 ETOT(band)= -0.001816 trlgG= -0.019592 logG= -0.015002 TDE= -0.133135 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002409 tlogG= -0.001964 logG= -0.004373 Density= 0.035821 ETOT(band)= 0.001779 trlgG= -0.003255 logG= -0.004373 TDE= -0.033277 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003165 tlogG= 0.069888 logG= 0.066723 Density= 0.046296 ETOT(band)= 0.001064 trlgG= 0.066987 logG= 0.066723 TDE= -0.044188 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003146 tlogG= 0.069490 logG= 0.066344 Density= 0.046221 ETOT(band)= 0.000960 trlgG= 0.066489 logG= 0.066344 TDE= -0.044235 logGD-logG0= -0.003136 tlogG= 0.069206 logG= 0.066070 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Density= 0.045863 ETOT(band)= 0.000631 trlgG= 0.065861 logG= 0.066070 TDE= -0.044246 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002352 tlogG= 0.051924 logG= 0.049572 Density= 0.034461 ETOT(band)= 0.000524 trlgG= 0.049472 logG= 0.049572 TDE= -0.033188 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.019325 tlogG= -0.013186 logG= -0.032512 Density= 0.284846 ETOT(band)= 0.012809 trlgG= -0.025405 logG= -0.032512 TDE= -0.266394 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009433 tlogG= 0.208488 logG= 0.199055 Density= 0.138633 ETOT(band)= 0.002910 trlgG= 0.199438 logG= 0.199055 TDE= -0.132729 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009906 tlogG= -0.006691 logG= -0.016597 Density= 0.145837 ETOT(band)= 0.008914 trlgG= -0.010795 logG= -0.016597 TDE= -0.134225 logGD-logG0= -0.009577 tlogG= -0.006640 logG= -0.016217 Density= 0.140882 ETOT(band)= 0.005355 trlgG= -0.013642 logG= -0.016217 TDE= -0.132696 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004708 tlogG= 0.104062 logG= 0.099354 Density= 0.069170 ETOT(band)= 0.001285 trlgG= 0.099402 logG= 0.099354 TDE= -0.066367 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009469 tlogG= 0.209188 logG= 0.199719 Density= 0.139146 ETOT(band)= 0.003447 trlgG= 0.200675 logG= 0.199719 TDE= -0.132649 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.50011247367203 eV TrLogG= -14.0102030536739 eV Ratio to renormalize= 0.999999999718 rho-rho_expected= 0.000000004520 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 2) Finished k-point number 3 1 with #bands= 26 12) Finished k-point number 13 1 with #bands= 22 5) Finished k-point number 6 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 26) Finished k-point number 27 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 14) Finished k-point number 15 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 21) Finished k-point number 22 1 with #bands= 24 27) Finished k-point number 28 1 with #bands= 22 17) Finished k-point number 18 1 with #bands= 24 7) Finished k-point number 8 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 9) Finished k-point number 10 1 with #bands= 26 11) Finished k-point number 12 1 with #bands= 24 31) Finished k-point number 32 1 with #bands= 24 6) Finished k-point number 7 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 19) Finished k-point number 20 1 with #bands= 26 24) Finished k-point number 25 1 with #bands= 22 8) Finished k-point number 9 1 with #bands= 26 28) Finished k-point number 29 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 33) Finished k-point number 34 1 with #bands= 24 32) Finished k-point number 33 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 40) Finished k-point number 41 1 with #bands= 24 35) Finished k-point number 36 1 with #bands= 22 47) Finished k-point number 48 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 36) Finished k-point number 37 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 0) Finished k-point number 1 1 with #bands= 26 16) Finished k-point number 17 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 48) Finished k-point number 49 1 with #bands= 20 53) Finished k-point number 54 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 55) Finished k-point number 56 1 with #bands= 20 61) Finished k-point number 62 1 with #bands= 22 51) Finished k-point number 52 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 50) Finished k-point number 51 1 with #bands= 20 49) Finished k-point number 50 1 with #bands= 20 59) Finished k-point number 60 1 with #bands= 24 57) Finished k-point number 58 1 with #bands= 24 60) Finished k-point number 61 1 with #bands= 22 62) Finished k-point number 63 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 63) Finished k-point number 64 1 with #bands= 24 56) Finished k-point number 57 1 with #bands= 18 65) Finished k-point number 66 1 with #bands= 22 64) Finished k-point number 65 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 100) Finished k-point number 101 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 102) Finished k-point number 103 1 with #bands= 22 73) Finished k-point number 74 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 67) Finished k-point number 68 1 with #bands= 22 70) Finished k-point number 71 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 69) Finished k-point number 70 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 78) Finished k-point number 79 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 79) Finished k-point number 80 1 with #bands= 20 81) Finished k-point number 82 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 68) Finished k-point number 69 1 with #bands= 22 87) Finished k-point number 88 1 with #bands= 18 90) Finished k-point number 91 1 with #bands= 22 84) Finished k-point number 85 1 with #bands= 20 95) Finished k-point number 96 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 94) Finished k-point number 95 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 93) Finished k-point number 94 1 with #bands= 22 88) Finished k-point number 89 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.931418083710637 0.928066115101315 7) Finished k-point number 8 1 with #bands= 22 0) Finished k-point number 1 1 with #bands= 26 5) Finished k-point number 6 1 with #bands= 22 4) Finished k-point number 5 1 with #bands= 22 6) Finished k-point number 7 1 with #bands= 22 14) Finished k-point number 15 1 with #bands= 22 13) Finished k-point number 14 1 with #bands= 22 15) Finished k-point number 16 1 with #bands= 22 12) Finished k-point number 13 1 with #bands= 22 10) Finished k-point number 11 1 with #bands= 24 11) Finished k-point number 12 1 with #bands= 24 2) Finished k-point number 3 1 with #bands= 26 3) Finished k-point number 4 1 with #bands= 26 1) Finished k-point number 2 1 with #bands= 26 8) Finished k-point number 9 1 with #bands= 26 9) Finished k-point number 10 1 with #bands= 26 56) Finished k-point number 57 1 with #bands= 18 54) Finished k-point number 55 1 with #bands= 18 53) Finished k-point number 54 1 with #bands= 18 48) Finished k-point number 49 1 with #bands= 20 50) Finished k-point number 51 1 with #bands= 20 87) Finished k-point number 88 1 with #bands= 18 49) Finished k-point number 50 1 with #bands= 20 51) Finished k-point number 52 1 with #bands= 20 55) Finished k-point number 56 1 with #bands= 20 27) Finished k-point number 28 1 with #bands= 22 26) Finished k-point number 27 1 with #bands= 22 37) Finished k-point number 38 1 with #bands= 22 25) Finished k-point number 26 1 with #bands= 22 38) Finished k-point number 39 1 with #bands= 22 34) Finished k-point number 35 1 with #bands= 22 45) Finished k-point number 46 1 with #bands= 22 36) Finished k-point number 37 1 with #bands= 22 46) Finished k-point number 47 1 with #bands= 22 28) Finished k-point number 29 1 with #bands= 22 16) Finished k-point number 17 1 with #bands= 22 79) Finished k-point number 80 1 with #bands= 20 84) Finished k-point number 85 1 with #bands= 20 24) Finished k-point number 25 1 with #bands= 22 80) Finished k-point number 81 1 with #bands= 20 52) Finished k-point number 53 1 with #bands= 22 85) Finished k-point number 86 1 with #bands= 20 21) Finished k-point number 22 1 with #bands= 24 62) Finished k-point number 63 1 with #bands= 22 35) Finished k-point number 36 1 with #bands= 22 23) Finished k-point number 24 1 with #bands= 24 44) Finished k-point number 45 1 with #bands= 22 42) Finished k-point number 43 1 with #bands= 22 97) Finished k-point number 98 1 with #bands= 20 32) Finished k-point number 33 1 with #bands= 24 43) Finished k-point number 44 1 with #bands= 22 18) Finished k-point number 19 1 with #bands= 24 61) Finished k-point number 62 1 with #bands= 22 60) Finished k-point number 61 1 with #bands= 22 30) Finished k-point number 31 1 with #bands= 24 47) Finished k-point number 48 1 with #bands= 22 39) Finished k-point number 40 1 with #bands= 24 17) Finished k-point number 18 1 with #bands= 24 68) Finished k-point number 69 1 with #bands= 22 65) Finished k-point number 66 1 with #bands= 22 86) Finished k-point number 87 1 with #bands= 22 76) Finished k-point number 77 1 with #bands= 22 31) Finished k-point number 32 1 with #bands= 24 67) Finished k-point number 68 1 with #bands= 22 66) Finished k-point number 67 1 with #bands= 22 22) Finished k-point number 23 1 with #bands= 24 81) Finished k-point number 82 1 with #bands= 22 74) Finished k-point number 75 1 with #bands= 22 77) Finished k-point number 78 1 with #bands= 22 75) Finished k-point number 76 1 with #bands= 22 29) Finished k-point number 30 1 with #bands= 24 73) Finished k-point number 74 1 with #bands= 22 90) Finished k-point number 91 1 with #bands= 22 69) Finished k-point number 70 1 with #bands= 22 100) Finished k-point number 101 1 with #bands= 22 41) Finished k-point number 42 1 with #bands= 24 82) Finished k-point number 83 1 with #bands= 22 83) Finished k-point number 84 1 with #bands= 22 91) Finished k-point number 92 1 with #bands= 22 58) Finished k-point number 59 1 with #bands= 24 94) Finished k-point number 95 1 with #bands= 22 98) Finished k-point number 99 1 with #bands= 22 89) Finished k-point number 90 1 with #bands= 22 63) Finished k-point number 64 1 with #bands= 24 96) Finished k-point number 97 1 with #bands= 22 20) Finished k-point number 21 1 with #bands= 26 93) Finished k-point number 94 1 with #bands= 22 57) Finished k-point number 58 1 with #bands= 24 59) Finished k-point number 60 1 with #bands= 24 92) Finished k-point number 93 1 with #bands= 22 95) Finished k-point number 96 1 with #bands= 22 33) Finished k-point number 34 1 with #bands= 24 102) Finished k-point number 103 1 with #bands= 22 99) Finished k-point number 100 1 with #bands= 22 103) Finished k-point number 104 1 with #bands= 22 101) Finished k-point number 102 1 with #bands= 22 19) Finished k-point number 20 1 with #bands= 26 40) Finished k-point number 41 1 with #bands= 24 64) Finished k-point number 65 1 with #bands= 24 88) Finished k-point number 89 1 with #bands= 24 78) Finished k-point number 79 1 with #bands= 24 70) Finished k-point number 71 1 with #bands= 24 72) Finished k-point number 73 1 with #bands= 24 71) Finished k-point number 72 1 with #bands= 24 Data-size pr_processor[MBy]= 0.1848755 Total datasize is[MBy]= 29.58008 max_nbands= 26 nomega= 466 pr_proc= 1 nprocs= 160 EF 13.0638054955703 Density= 16.0031756958818 16.0000000000000 EF 12.7916916634567 Density= 15.3656853673805 16.0000000000000 Brent's Method Step XA XB F(XA) F(XB) 0 0.96017208 0.94017208 0.317570E-02 -0.634315 1 0.96007245 0.94017208 0.439214E-03 -0.634315 2 0.96005647 0.96007245 -0.350023E-07 0.439214E-03 3 0.96005647 0.96005647 0.374811E-11 -0.350023E-07 Absolute convergence of |F(X)|. Difference in EF= -0.0015729536 EF set to : 13.0622325419 new EF (no-mixing): 13.0622325419 mpr_proc= 1 myrank= 0 nprocs= 160 nkpt= 104 logGD-logG0= -0.001222 tlogG= -0.001242 logG= -0.002465 Density= 0.018972 ETOT(band)= 0.001225 trlgG= -0.001642 logG= -0.002465 TDE= -0.017391 56) Finished k-point 57 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.009754 tlogG= -0.009478 logG= -0.019232 Density= 0.151669 ETOT(band)= 0.010053 trlgG= -0.012401 logG= -0.019232 TDE= -0.138780 54) Finished k-point 55 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002437 tlogG= -0.002391 logG= -0.004827 Density= 0.037892 ETOT(band)= 0.002543 trlgG= -0.003093 logG= -0.004827 TDE= -0.034644 53) Finished k-point 54 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.004873 tlogG= -0.004592 logG= -0.009465 Density= 0.075808 ETOT(band)= 0.005106 trlgG= -0.005971 logG= -0.009465 TDE= -0.069286 87) Finished k-point 88 1 with nemin= 1 nemax= 26 DM_nemin= 9 DM_nemax= 26 DM_nemaxx= 26 logGD-logG0= -0.002441 tlogG= -0.002067 logG= -0.004509 Density= 0.037419 ETOT(band)= 0.002554 trlgG= -0.002808 logG= -0.004509 TDE= -0.034224 48) Finished k-point 49 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009780 tlogG= -0.008014 logG= -0.017794 Density= 0.150488 ETOT(band)= 0.010389 trlgG= -0.010744 logG= -0.017794 TDE= -0.137427 50) Finished k-point 51 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009784 tlogG= -0.008620 logG= -0.018404 Density= 0.150703 ETOT(band)= 0.010484 trlgG= -0.011276 logG= -0.018404 TDE= -0.137555 49) Finished k-point 50 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.004893 tlogG= -0.004170 logG= -0.009063 Density= 0.075456 ETOT(band)= 0.005128 trlgG= -0.005612 logG= -0.009063 TDE= -0.068991 logGD-logG0= -0.009803 tlogG= -0.006644 logG= -0.016447 Density= 0.143886 ETOT(band)= 0.004978 trlgG= -0.014642 logG= -0.016447 TDE= -0.136334 55) Finished k-point 56 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 51) Finished k-point 52 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.001595 tlogG= -0.001311 logG= -0.002906 logGD-logG0= -0.009795 tlogG= -0.008752 logG= -0.018547 Density= 0.151172 ETOT(band)= 0.010497 trlgG= -0.011365 logG= -0.018547 TDE= -0.137952 Density= 0.022778 ETOT(band)= -0.000172 trlgG= -0.003522 logG= -0.002906 TDE= -0.022484 logGD-logG0= -0.009755 tlogG= -0.007756 logG= -0.017511 84) Finished k-point 85 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 Density= 0.149831 ETOT(band)= 0.010782 trlgG= -0.010033 logG= -0.017511 TDE= -0.136368 7) Finished k-point 8 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 26 79) Finished k-point 80 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019559 tlogG= -0.015806 logG= -0.035365 Density= 0.301136 ETOT(band)= 0.020708 trlgG= -0.021339 logG= -0.035365 TDE= -0.275082 85) Finished k-point 86 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.019538 tlogG= -0.014688 logG= -0.034226 Density= 0.299040 ETOT(band)= 0.020686 trlgG= -0.020023 logG= -0.034226 TDE= -0.272892 80) Finished k-point 81 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.009795 tlogG= -0.006596 logG= -0.016391 Density= 0.147196 ETOT(band)= 0.008338 trlgG= -0.011288 logG= -0.016391 TDE= -0.136214 97) Finished k-point 98 1 with nemin= 1 nemax= 28 DM_nemin= 9 DM_nemax= 28 DM_nemaxx= 28 logGD-logG0= -0.003165 tlogG= -0.002542 logG= -0.005707 Density= 0.045618 ETOT(band)= 0.000070 trlgG= -0.006493 logG= -0.005707 TDE= -0.044582 5) Finished k-point 6 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.003137 tlogG= -0.002593 logG= -0.005729 Density= 0.045894 ETOT(band)= 0.000582 trlgG= -0.005925 logG= -0.005729 TDE= -0.044257 logGD-logG0= -0.003183 tlogG= -0.002516 logG= -0.005699 Density= 0.045379 ETOT(band)= -0.000344 trlgG= -0.006972 logG= -0.005699 TDE= -0.044840 4) Finished k-point 5 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 6) Finished k-point 7 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009560 tlogG= -0.007426 logG= -0.016986 Density= 0.136757 ETOT(band)= -0.000703 trlgG= -0.020509 logG= -0.016986 TDE= -0.134817 14) Finished k-point 15 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009537 tlogG= -0.007265 logG= -0.016802 logGD-logG0= -0.009552 tlogG= -0.007337 logG= -0.016890 Density= 0.136626 ETOT(band)= -0.000649 trlgG= -0.020374 logG= -0.016890 TDE= -0.134653 Density= 0.136677 ETOT(band)= -0.000252 trlgG= -0.019859 logG= -0.016802 TDE= -0.134274 15) Finished k-point 16 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 13) Finished k-point 14 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009570 tlogG= -0.006629 logG= -0.016198 Density= 0.137901 ETOT(band)= 0.000703 trlgG= -0.018427 logG= -0.016198 TDE= -0.134622 27) Finished k-point 28 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009665 tlogG= -0.006330 logG= -0.015995 Density= 0.140319 ETOT(band)= 0.003374 trlgG= -0.015426 logG= -0.015995 TDE= -0.134144 logGD-logG0= -0.009481 tlogG= -0.007332 logG= -0.016813 35) Finished k-point 36 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.137362 ETOT(band)= 0.001067 trlgG= -0.018305 logG= -0.016813 TDE= -0.133367 logGD-logG0= -0.009798 tlogG= -0.007519 logG= -0.017317 Density= 0.148864 ETOT(band)= 0.010639 trlgG= -0.009961 logG= -0.017317 TDE= -0.135562 12) Finished k-point 13 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009541 tlogG= -0.006496 logG= -0.016037 Density= 0.137666 ETOT(band)= 0.000964 trlgG= -0.017949 logG= -0.016037 TDE= -0.134080 logGD-logG0= -0.009833 tlogG= -0.006483 logG= -0.016316 Density= 0.142586 ETOT(band)= 0.004374 trlgG= -0.014997 logG= -0.016316 TDE= -0.135572 logGD-logG0= -0.009861 tlogG= -0.007105 logG= -0.016966 Density= 0.147534 ETOT(band)= 0.009037 trlgG= -0.011192 logG= -0.016966 TDE= -0.135867 42) Finished k-point 43 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 44) Finished k-point 45 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 28) Finished k-point 29 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 43) Finished k-point 44 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009624 tlogG= -0.005909 logG= -0.015533 logGD-logG0= -0.009577 tlogG= -0.006593 logG= -0.016171 Density= 0.138076 ETOT(band)= 0.000992 trlgG= -0.017465 logG= -0.015533 TDE= -0.134493 Density= 0.137849 ETOT(band)= 0.000732 trlgG= -0.018405 logG= -0.016171 TDE= -0.134577 logGD-logG0= -0.004830 tlogG= -0.003082 logG= -0.007913 Density= 0.067568 ETOT(band)= -0.001270 trlgG= -0.010597 logG= -0.007913 TDE= -0.067554 26) Finished k-point 27 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 37) Finished k-point 38 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 52) Finished k-point 53 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009516 tlogG= -0.007296 logG= -0.016812 Density= 0.136912 ETOT(band)= 0.000160 trlgG= -0.019372 logG= -0.016812 TDE= -0.134003 16) Finished k-point 17 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009605 tlogG= -0.005588 logG= -0.015194 Density= 0.136825 ETOT(band)= 0.000277 trlgG= -0.017838 logG= -0.015194 TDE= -0.134004 logGD-logG0= -0.009511 tlogG= -0.006790 logG= -0.016301 Density= 0.139066 ETOT(band)= 0.002962 trlgG= -0.015948 logG= -0.016301 TDE= -0.133158 38) Finished k-point 39 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009733 tlogG= -0.006548 logG= -0.016282 Density= 0.143573 ETOT(band)= 0.006816 trlgG= -0.012357 logG= -0.016282 TDE= -0.133914 24) Finished k-point 25 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009565 tlogG= -0.006811 logG= -0.016376 34) Finished k-point 35 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009669 tlogG= -0.005988 logG= -0.015656 Density= 0.135828 ETOT(band)= -0.001516 trlgG= -0.020013 logG= -0.015656 TDE= -0.134759 Density= 0.138491 ETOT(band)= 0.001667 trlgG= -0.017423 logG= -0.016376 TDE= -0.134007 45) Finished k-point 46 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 25) Finished k-point 26 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009651 tlogG= -0.005597 logG= -0.015247 Density= 0.133688 ETOT(band)= -0.003194 trlgG= -0.021218 logG= -0.015247 TDE= -0.134319 logGD-logG0= -0.009561 tlogG= -0.006827 logG= -0.016388 Density= 0.137508 ETOT(band)= 0.000243 trlgG= -0.019091 logG= -0.016388 TDE= -0.134718 logGD-logG0= -0.004844 tlogG= -0.002560 logG= -0.007403 Density= 0.065412 ETOT(band)= -0.002662 trlgG= -0.011339 logG= -0.007403 TDE= -0.066735 46) Finished k-point 47 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 62) Finished k-point 63 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 47) Finished k-point 48 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009641 tlogG= -0.006110 logG= -0.015751 Density= 0.138673 ETOT(band)= 0.001556 trlgG= -0.017042 logG= -0.015751 TDE= -0.134425 36) Finished k-point 37 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009880 tlogG= -0.006490 logG= -0.016370 Density= 0.143173 ETOT(band)= 0.004421 trlgG= -0.015108 logG= -0.016370 TDE= -0.136192 86) Finished k-point 87 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019222 tlogG= -0.011904 logG= -0.031126 Density= 0.277915 ETOT(band)= 0.003962 trlgG= -0.033107 logG= -0.031126 TDE= -0.268795 logGD-logG0= -0.019328 tlogG= -0.010790 logG= -0.030118 Density= 0.271328 ETOT(band)= -0.002228 trlgG= -0.038121 logG= -0.030118 TDE= -0.268492 68) Finished k-point 69 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019153 tlogG= -0.012296 logG= -0.031448 Density= 0.278954 ETOT(band)= 0.006437 trlgG= -0.030612 logG= -0.031448 TDE= -0.266976 76) Finished k-point 77 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 65) Finished k-point 66 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019720 tlogG= -0.012711 logG= -0.032431 Density= 0.285332 ETOT(band)= 0.008398 trlgG= -0.030252 logG= -0.032431 TDE= -0.271757 logGD-logG0= -0.019240 tlogG= -0.012059 logG= -0.031299 Density= 0.278267 ETOT(band)= 0.004015 trlgG= -0.033269 logG= -0.031299 TDE= -0.269122 81) Finished k-point 82 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 67) Finished k-point 68 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019422 tlogG= -0.010116 logG= -0.029538 Density= 0.264250 ETOT(band)= -0.008205 trlgG= -0.043221 logG= -0.029538 TDE= -0.267378 77) Finished k-point 78 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019478 tlogG= -0.012008 logG= -0.031485 Density= 0.281524 ETOT(band)= 0.006898 trlgG= -0.030546 logG= -0.031485 TDE= -0.269339 logGD-logG0= -0.019221 tlogG= -0.012206 logG= -0.031426 Density= 0.278092 ETOT(band)= 0.004429 trlgG= -0.032780 logG= -0.031426 TDE= -0.268339 logGD-logG0= -0.019114 tlogG= -0.013650 logG= -0.032764 Density= 0.275195 ETOT(band)= 0.001125 trlgG= -0.037403 logG= -0.032764 TDE= -0.268841 66) Finished k-point 67 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004924 tlogG= -0.003555 logG= -0.008478 74) Finished k-point 75 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 Density= 0.074735 ETOT(band)= 0.004977 trlgG= -0.005133 logG= -0.008478 TDE= -0.068404 61) Finished k-point 62 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019345 tlogG= -0.011398 logG= -0.030743 Density= 0.275399 ETOT(band)= 0.001164 trlgG= -0.035323 logG= -0.030743 TDE= -0.268979 100) Finished k-point 101 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 75) Finished k-point 76 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.000391 tlogG= 0.008634 logG= 0.008242 Density= 0.005718 ETOT(band)= 0.000063 trlgG= 0.008201 logG= 0.008242 TDE= -0.005531 logGD-logG0= -0.019044 tlogG= -0.013693 logG= -0.032736 Density= 0.275870 ETOT(band)= 0.002962 trlgG= -0.035148 logG= -0.032736 TDE= -0.267262 logGD-logG0= -0.019763 tlogG= -0.012699 logG= -0.032462 Density= 0.289714 ETOT(band)= 0.014934 trlgG= -0.023617 logG= -0.032462 TDE= -0.269297 0) Finished k-point 1 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 24 60) Finished k-point 61 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 73) Finished k-point 74 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019438 tlogG= -0.010401 logG= -0.029839 Density= 0.278031 ETOT(band)= 0.004512 trlgG= -0.031150 logG= -0.029839 TDE= -0.268236 90) Finished k-point 91 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009757 tlogG= -0.004848 logG= -0.014605 logGD-logG0= -0.019145 tlogG= -0.011584 logG= -0.030729 logGD-logG0= -0.019581 tlogG= -0.011853 logG= -0.031434 Density= 0.280345 ETOT(band)= 0.004456 trlgG= -0.033031 logG= -0.031434 TDE= -0.270744 Density= 0.276483 ETOT(band)= 0.003848 trlgG= -0.032631 logG= -0.030729 TDE= -0.267341 Density= 0.131141 ETOT(band)= -0.005075 trlgG= -0.022403 logG= -0.014605 TDE= -0.133701 98) Finished k-point 99 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019363 tlogG= -0.011620 logG= -0.030983 logGD-logG0= -0.009745 tlogG= -0.005173 logG= -0.014917 Density= 0.139914 ETOT(band)= 0.002857 trlgG= -0.015029 logG= -0.014917 TDE= -0.134437 Density= 0.270021 ETOT(band)= -0.004705 trlgG= -0.041378 logG= -0.030983 TDE= -0.269630 69) Finished k-point 70 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 96) Finished k-point 97 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 91) Finished k-point 92 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 82) Finished k-point 83 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009677 tlogG= -0.005426 logG= -0.015104 Density= 0.132993 ETOT(band)= -0.003844 trlgG= -0.021662 logG= -0.015104 TDE= -0.134239 83) Finished k-point 84 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019415 tlogG= -0.010546 logG= -0.029960 Density= 0.272237 ETOT(band)= -0.001931 trlgG= -0.037504 logG= -0.029960 TDE= -0.268907 94) Finished k-point 95 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019377 tlogG= -0.010481 logG= -0.029858 Density= 0.274694 ETOT(band)= 0.002161 trlgG= -0.033447 logG= -0.029858 TDE= -0.267310 logGD-logG0= -0.019518 tlogG= -0.011086 logG= -0.030604 Density= 0.278173 ETOT(band)= 0.003670 trlgG= -0.032804 logG= -0.030604 TDE= -0.269262 93) Finished k-point 94 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 89) Finished k-point 90 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009899 tlogG= -0.005947 logG= -0.015845 Density= 0.144021 ETOT(band)= 0.006411 trlgG= -0.012470 logG= -0.015845 TDE= -0.134892 92) Finished k-point 93 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.019465 tlogG= -0.010026 logG= -0.029491 Density= 0.267157 ETOT(band)= -0.006180 trlgG= -0.041192 logG= -0.029491 TDE= -0.268187 logGD-logG0= -0.009683 tlogG= -0.005106 logG= -0.014789 Density= 0.136399 ETOT(band)= -0.000502 trlgG= -0.017964 logG= -0.014789 TDE= -0.134125 95) Finished k-point 96 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 102) Finished k-point 103 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.004850 tlogG= -0.002641 logG= -0.007491 Density= 0.068628 ETOT(band)= 0.000054 trlgG= -0.008866 logG= -0.007491 TDE= -0.067262 logGD-logG0= -0.009691 tlogG= -0.005462 logG= -0.015153 Density= 0.135831 ETOT(band)= -0.001356 trlgG= -0.019199 logG= -0.015153 TDE= -0.134452 103) Finished k-point 104 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 99) Finished k-point 100 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.009703 tlogG= -0.005244 logG= -0.014947 Density= 0.136871 ETOT(band)= -0.000157 trlgG= -0.017865 logG= -0.014947 TDE= -0.134323 101) Finished k-point 102 1 with nemin= 1 nemax= 30 DM_nemin= 9 DM_nemax= 30 DM_nemaxx= 30 logGD-logG0= -0.002463 tlogG= -0.001860 logG= -0.004324 Density= 0.036963 ETOT(band)= 0.002604 trlgG= -0.002504 logG= -0.004324 TDE= -0.033667 41) Finished k-point 42 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002361 tlogG= -0.002338 logG= -0.004699 Density= 0.034893 ETOT(band)= 0.000941 trlgG= -0.004394 logG= -0.004699 TDE= -0.033194 21) Finished k-point 22 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009488 tlogG= -0.007722 logG= -0.017210 Density= 0.138631 ETOT(band)= 0.002896 trlgG= -0.016681 logG= -0.017210 TDE= -0.132564 logGD-logG0= -0.009437 tlogG= -0.008788 logG= -0.018225 logGD-logG0= -0.009534 tlogG= -0.007376 logG= -0.016910 Density= 0.137608 ETOT(band)= 0.001627 trlgG= -0.017803 logG= -0.016910 TDE= -0.133004 Density= 0.139485 ETOT(band)= 0.003701 trlgG= -0.016946 logG= -0.018225 TDE= -0.132634 logGD-logG0= -0.009553 tlogG= -0.007301 logG= -0.016855 11) Finished k-point 12 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.141062 ETOT(band)= 0.005270 trlgG= -0.014254 logG= -0.016855 TDE= -0.132827 17) Finished k-point 18 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 10) Finished k-point 11 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 23) Finished k-point 24 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.002409 tlogG= -0.001964 logG= -0.004373 Density= 0.035821 ETOT(band)= 0.001775 trlgG= -0.003259 logG= -0.004373 TDE= -0.033276 32) Finished k-point 33 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009786 tlogG= -0.007157 logG= -0.016944 Density= 0.144964 ETOT(band)= 0.008444 trlgG= -0.011298 logG= -0.016944 TDE= -0.133527 logGD-logG0= -0.009469 tlogG= -0.007951 logG= -0.017420 Density= 0.138896 ETOT(band)= 0.003274 trlgG= -0.016561 logG= -0.017420 TDE= -0.132490 33) Finished k-point 34 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 18) Finished k-point 19 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004736 tlogG= -0.004008 logG= -0.008744 Density= 0.069971 ETOT(band)= 0.002156 trlgG= -0.007825 logG= -0.008744 TDE= -0.066257 31) Finished k-point 32 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009501 tlogG= -0.008406 logG= -0.017908 Density= 0.140928 ETOT(band)= 0.005070 trlgG= -0.015397 logG= -0.017908 TDE= -0.132788 22) Finished k-point 23 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009591 tlogG= -0.006324 logG= -0.015916 Density= 0.137435 ETOT(band)= 0.001649 trlgG= -0.017071 logG= -0.015916 TDE= -0.133101 logGD-logG0= -0.009542 tlogG= -0.006859 logG= -0.016401 29) Finished k-point 30 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.139412 ETOT(band)= 0.003941 trlgG= -0.015047 logG= -0.016401 TDE= -0.132490 30) Finished k-point 31 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.018983 tlogG= -0.015709 logG= -0.034692 logGD-logG0= -0.009707 tlogG= -0.005296 logG= -0.015003 Density= 0.280535 ETOT(band)= 0.009135 trlgG= -0.030555 logG= -0.034692 TDE= -0.265193 Density= 0.133877 ETOT(band)= -0.001830 trlgG= -0.019606 logG= -0.015003 TDE= -0.133132 39) Finished k-point 40 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 58) Finished k-point 59 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.004828 tlogG= -0.002811 logG= -0.007639 Density= 0.068429 ETOT(band)= 0.000790 trlgG= -0.008233 logG= -0.007639 TDE= -0.066290 40) Finished k-point 41 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019324 tlogG= -0.013185 logG= -0.032508 Density= 0.284840 ETOT(band)= 0.012773 trlgG= -0.025434 logG= -0.032508 TDE= -0.266388 64) Finished k-point 65 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009598 tlogG= -0.007504 logG= -0.017101 Density= 0.142547 ETOT(band)= 0.006567 trlgG= -0.013203 logG= -0.017101 TDE= -0.132954 logGD-logG0= -0.009436 tlogG= -0.009018 logG= -0.018454 Density= 0.139677 ETOT(band)= 0.003890 trlgG= -0.017053 logG= -0.018454 TDE= -0.132697 57) Finished k-point 58 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 63) Finished k-point 64 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019094 tlogG= -0.013922 logG= -0.033016 Density= 0.277669 ETOT(band)= 0.006265 trlgG= -0.031836 logG= -0.033016 TDE= -0.265397 logGD-logG0= -0.009742 tlogG= -0.004984 logG= -0.014726 Density= 0.130889 ETOT(band)= -0.004611 trlgG= -0.022048 logG= -0.014726 TDE= -0.132983 logGD-logG0= -0.009768 tlogG= -0.005668 logG= -0.015436 59) Finished k-point 60 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 Density= 0.141473 ETOT(band)= 0.005377 trlgG= -0.013072 logG= -0.015436 TDE= -0.133458 78) Finished k-point 79 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 88) Finished k-point 89 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009906 tlogG= -0.006691 logG= -0.016596 Density= 0.145838 ETOT(band)= 0.008900 trlgG= -0.010806 logG= -0.016596 TDE= -0.134222 72) Finished k-point 73 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.019263 tlogG= -0.011641 logG= -0.030903 Density= 0.276970 ETOT(band)= 0.005830 trlgG= -0.030727 logG= -0.030903 TDE= -0.265730 70) Finished k-point 71 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.009577 tlogG= -0.006637 logG= -0.016215 Density= 0.140879 ETOT(band)= 0.005337 trlgG= -0.013656 logG= -0.016215 TDE= -0.132694 71) Finished k-point 72 1 with nemin= 1 nemax= 32 DM_nemin= 9 DM_nemax= 32 DM_nemaxx= 32 logGD-logG0= -0.003146 tlogG= 0.069481 logG= 0.066336 Density= 0.046222 ETOT(band)= 0.000956 trlgG= 0.066477 logG= 0.066336 TDE= -0.044235 2) Finished k-point 3 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003166 tlogG= 0.069879 logG= 0.066713 Density= 0.046297 ETOT(band)= 0.001060 trlgG= 0.066974 logG= 0.066713 TDE= -0.044187 3) Finished k-point 4 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.002352 tlogG= 0.051917 logG= 0.049565 Density= 0.034462 ETOT(band)= 0.000522 trlgG= 0.049463 logG= 0.049565 TDE= -0.033187 8) Finished k-point 9 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.003136 tlogG= 0.069197 logG= 0.066061 Density= 0.045865 ETOT(band)= 0.000628 trlgG= 0.065849 logG= 0.066061 TDE= -0.044246 1) Finished k-point 2 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.004708 tlogG= 0.104048 logG= 0.099340 Density= 0.069172 ETOT(band)= 0.001279 trlgG= 0.099383 logG= 0.099340 TDE= -0.066366 20) Finished k-point 21 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009469 tlogG= 0.209162 logG= 0.199693 Density= 0.139149 ETOT(band)= 0.003434 trlgG= 0.200637 logG= 0.199693 TDE= -0.132647 19) Finished k-point 20 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 logGD-logG0= -0.009432 tlogG= 0.208461 logG= 0.199029 Density= 0.138637 ETOT(band)= 0.002898 trlgG= 0.199401 logG= 0.199029 TDE= -0.132727 9) Finished k-point 10 1 with nemin= 1 nemax= 34 DM_nemin= 9 DM_nemax= 34 DM_nemaxx= 34 Sum of eigenvalues= 4.47680696870068 eV TrLogG= -14.0325701452867 eV Ratio to renormalize= 0.999999999717 rho-rho_expected= 0.000000004522