nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 107 1) Finished k-point number 2 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 9) Finished k-point number 10 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 45) Finished k-point number 46 1 with #bands= 107 10) Finished k-point number 11 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800239945893476 0.799431305488402 0.799210024761578 0.799850630288498 0.799947335385778 0.799207487793140 0.800511580041600 0.799312800242927 0.799332278758239 0.800445619016851 0.799497908994422 0.799223954694092 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.030423 tlogG= -0.628820 logG= -0.659243 Density= 3.424278 ETOT(band)= -1.568581 trlgG= -2.234895 logG= -0.659243 TDE= -4.406987 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.029855 tlogG= -0.631876 logG= -0.661731 Density= 3.401990 ETOT(band)= -1.588778 trlgG= -2.256247 logG= -0.661731 TDE= -4.407423 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.029892 tlogG= -0.637141 logG= -0.667033 Density= 3.402729 ETOT(band)= -1.592200 trlgG= -2.265275 logG= -0.667033 TDE= -4.411760 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.030892 tlogG= -0.628111 logG= -0.659003 Density= 3.430617 ETOT(band)= -1.563105 trlgG= -2.229697 logG= -0.659003 TDE= -4.407271 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.030145 tlogG= -0.631396 logG= -0.661540 Density= 3.409749 ETOT(band)= -1.582209 trlgG= -2.250117 logG= -0.661540 TDE= -4.407899 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.029899 tlogG= -0.634983 logG= -0.664881 Density= 3.398267 ETOT(band)= -1.594267 trlgG= -2.264840 logG= -0.664881 TDE= -4.409788 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.029567 tlogG= -0.638566 logG= -0.668133 Density= 3.387874 ETOT(band)= -1.605394 trlgG= -2.278890 logG= -0.668133 TDE= -4.411992 logGD-logG0= -0.029521 tlogG= -0.635968 logG= -0.665489 Density= 3.383492 ETOT(band)= -1.607213 trlgG= -2.277909 logG= -0.665489 TDE= -4.410032 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.029654 tlogG= -0.633291 logG= -0.662945 Density= 3.389863 ETOT(band)= -1.599828 trlgG= -2.267981 logG= -0.662945 TDE= -4.407915 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.030121 tlogG= -0.639887 logG= -0.670007 Density= 3.408733 ETOT(band)= -1.589671 trlgG= -2.266308 logG= -0.670007 TDE= -4.414782 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.029612 tlogG= -0.635526 logG= -0.665138 Density= 3.388512 ETOT(band)= -1.602624 trlgG= -2.273037 logG= -0.665138 TDE= -4.409662 logGD-logG0= -0.029577 tlogG= -0.637709 logG= -0.667286 Density= 3.386135 ETOT(band)= -1.606099 trlgG= -2.278543 logG= -0.667286 TDE= -4.411054 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.030306 tlogG= -0.641560 logG= -0.671866 Density= 3.410271 ETOT(band)= -1.589708 trlgG= -2.268512 logG= -0.671866 TDE= -4.416399 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.030141 tlogG= -0.632290 logG= -0.662431 Density= 3.410321 ETOT(band)= -1.582337 trlgG= -2.251113 logG= -0.662431 TDE= -4.408477 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.029904 tlogG= -0.642112 logG= -0.672016 Density= 3.406991 ETOT(band)= -1.592560 trlgG= -2.270982 logG= -0.672016 TDE= -4.416008 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.030073 tlogG= -0.629370 logG= -0.659443 Density= 3.410418 ETOT(band)= -1.580151 trlgG= -2.245730 logG= -0.659443 TDE= -4.406163 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.029715 tlogG= -0.637445 logG= -0.667159 Density= 3.396324 ETOT(band)= -1.597578 trlgG= -2.270329 logG= -0.667159 TDE= -4.411392 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.030781 tlogG= -0.628244 logG= -0.659026 Density= 3.429033 ETOT(band)= -1.564463 trlgG= -2.231020 logG= -0.659026 TDE= -4.407261 logGD-logG0= -0.029512 tlogG= -0.642631 logG= -0.672142 Density= 3.387581 ETOT(band)= -1.608592 trlgG= -2.286113 logG= -0.672142 TDE= -4.414963 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.030423 tlogG= -0.630915 logG= -0.661338 Density= 3.415283 ETOT(band)= -1.577463 trlgG= -2.245576 logG= -0.661338 TDE= -4.408136 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.029832 tlogG= -0.638154 logG= -0.667986 Density= 3.397869 ETOT(band)= -1.597042 trlgG= -2.270867 logG= -0.667986 TDE= -4.412381 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.029815 tlogG= -0.640232 logG= -0.670047 Density= 3.403639 ETOT(band)= -1.593811 trlgG= -2.270005 logG= -0.670047 TDE= -4.414229 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.029858 tlogG= -0.637378 logG= -0.667236 Density= 3.401414 ETOT(band)= -1.593631 trlgG= -2.266905 logG= -0.667236 TDE= -4.412100 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.029536 tlogG= -0.640648 logG= -0.670184 Density= 3.386785 ETOT(band)= -1.607783 trlgG= -2.283265 logG= -0.670184 TDE= -4.413416 logGD-logG0= -0.029853 tlogG= -0.635153 logG= -0.665006 Density= 3.397255 ETOT(band)= -1.595322 trlgG= -2.266045 logG= -0.665006 TDE= -4.410030 logGD-logG0= -0.029720 tlogG= -0.635159 logG= -0.664878 Density= 3.394039 ETOT(band)= -1.597607 trlgG= -2.267880 logG= -0.664878 TDE= -4.409334 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.029697 tlogG= -0.635502 logG= -0.665198 Density= 3.393328 ETOT(band)= -1.598739 trlgG= -2.269409 logG= -0.665198 TDE= -4.409955 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.029613 tlogG= -0.635540 logG= -0.665153 Density= 3.386187 ETOT(band)= -1.604394 trlgG= -2.274610 logG= -0.665153 TDE= -4.409297 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.029504 tlogG= -0.640781 logG= -0.670285 Density= 3.385598 ETOT(band)= -1.608943 trlgG= -2.284528 logG= -0.670285 TDE= -4.413596 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030075 tlogG= -0.634743 logG= -0.664818 Density= 3.399040 ETOT(band)= -1.593638 trlgG= -2.264406 logG= -0.664818 TDE= -4.410055 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.030526 tlogG= -0.628673 logG= -0.659200 Density= 3.426046 ETOT(band)= -1.567047 trlgG= -2.233369 logG= -0.659200 TDE= -4.406966 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030143 tlogG= -0.639793 logG= -0.669935 Density= 3.409212 ETOT(band)= -1.589147 trlgG= -2.265716 logG= -0.669935 TDE= -4.414659 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.030100 tlogG= -0.634594 logG= -0.664694 Density= 3.399976 ETOT(band)= -1.592659 trlgG= -2.263280 logG= -0.664694 TDE= -4.409827 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.030088 tlogG= -0.637730 logG= -0.667818 Density= 3.402720 ETOT(band)= -1.592862 trlgG= -2.266994 logG= -0.667818 TDE= -4.412687 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.030054 tlogG= -0.632557 logG= -0.662611 Density= 3.403863 ETOT(band)= -1.587956 trlgG= -2.256676 logG= -0.662611 TDE= -4.408520 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.029783 tlogG= -0.640351 logG= -0.670134 Density= 3.402543 ETOT(band)= -1.594861 trlgG= -2.271129 logG= -0.670134 TDE= -4.414359 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.029661 tlogG= -0.635352 logG= -0.665013 Density= 3.390598 ETOT(band)= -1.600586 trlgG= -2.270823 logG= -0.665013 TDE= -4.409297 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.029852 tlogG= -0.632937 logG= -0.662789 Density= 3.399331 ETOT(band)= -1.591868 trlgG= -2.260365 logG= -0.662789 TDE= -4.408284 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.029667 tlogG= -0.635336 logG= -0.665003 Density= 3.391408 ETOT(band)= -1.600001 trlgG= -2.270293 logG= -0.665003 TDE= -4.409447 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.029775 tlogG= -0.632973 logG= -0.662749 Density= 3.397658 ETOT(band)= -1.593057 trlgG= -2.261252 logG= -0.662749 TDE= -4.407828 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.031031 tlogG= -0.625787 logG= -0.656818 Density= 3.436297 ETOT(band)= -1.556857 trlgG= -2.221521 logG= -0.656818 TDE= -4.405977 logGD-logG0= -0.029508 tlogG= -0.638021 logG= -0.667529 Density= 3.383926 ETOT(band)= -1.608352 trlgG= -2.281121 logG= -0.667529 TDE= -4.411563 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=130 logGD-logG0= -0.030184 tlogG= -0.629223 logG= -0.659407 Density= 3.412677 ETOT(band)= -1.578218 trlgG= -2.243809 logG= -0.659407 TDE= -4.406146 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.029953 tlogG= -0.632639 logG= -0.662592 Density= 3.403781 ETOT(band)= -1.587863 trlgG= -2.256379 logG= -0.662592 TDE= -4.408175 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.029649 tlogG= -0.637721 logG= -0.667370 Density= 3.393838 ETOT(band)= -1.599997 trlgG= -2.272956 logG= -0.667370 TDE= -4.411752 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.029591 tlogG= -0.635738 logG= -0.665329 Density= 3.387779 ETOT(band)= -1.603463 trlgG= -2.274052 logG= -0.665329 TDE= -4.409879 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.031497 tlogG= -0.625045 logG= -0.656542 Density= 3.440315 ETOT(band)= -1.553267 trlgG= -2.218158 logG= -0.656542 TDE= -4.406212 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.030544 tlogG= -0.626458 logG= -0.657002 Density= 3.417980 ETOT(band)= -1.572015 trlgG= -2.235828 logG= -0.657002 TDE= -4.404954 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1038.84635490345 eV TrLogG= -1469.35281881115 eV Ratio to renormalize= 1.004141691171 rho-rho_expected=-0.676435764031 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 5) Finished k-point number 6 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800980144361937 0.800191155788612 0.799971228333435 0.800591852436519 0.800703892934535 0.799963801252612 0.801252750584940 0.800071249374652 0.800090424965453 0.801185669288747 0.800256788329274 0.799983881461318 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.030002 tlogG= -0.636143 logG= -0.666145 Density= 3.403009 ETOT(band)= -1.592645 trlgG= -2.264874 logG= -0.666145 TDE= -4.412477 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.030231 tlogG= -0.628125 logG= -0.658356 Density= 3.412402 ETOT(band)= -1.578856 trlgG= -2.243437 logG= -0.658356 TDE= -4.406596 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.029635 tlogG= -0.641399 logG= -0.671034 Density= 3.389326 ETOT(band)= -1.607451 trlgG= -2.283906 logG= -0.671034 TDE= -4.415308 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.029735 tlogG= -0.634295 logG= -0.664030 Density= 3.390054 ETOT(band)= -1.601652 trlgG= -2.270962 logG= -0.664030 TDE= -4.409969 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.031081 tlogG= -0.626853 logG= -0.657934 Density= 3.432459 ETOT(band)= -1.561953 trlgG= -2.227598 logG= -0.657934 TDE= -4.407764 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.029963 tlogG= -0.638997 logG= -0.668960 Density= 3.405238 ETOT(band)= -1.592831 trlgG= -2.267975 logG= -0.668960 TDE= -4.414607 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.029970 tlogG= -0.636919 logG= -0.666889 Density= 3.398959 ETOT(band)= -1.596457 trlgG= -2.269201 logG= -0.666889 TDE= -4.412713 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.031231 tlogG= -0.624525 logG= -0.655756 Density= 3.438075 ETOT(band)= -1.555770 trlgG= -2.219482 logG= -0.655756 TDE= -4.406469 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030278 tlogG= -0.638646 logG= -0.668924 Density= 3.409554 ETOT(band)= -1.589331 trlgG= -2.264925 logG= -0.668924 TDE= -4.415161 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.029930 tlogG= -0.639117 logG= -0.669046 Density= 3.404217 ETOT(band)= -1.593818 trlgG= -2.269038 logG= -0.669046 TDE= -4.414739 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.029828 tlogG= -0.634269 logG= -0.664097 Density= 3.394808 ETOT(band)= -1.597830 trlgG= -2.267394 logG= -0.664097 TDE= -4.410265 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.029782 tlogG= -0.636491 logG= -0.666272 Density= 3.395519 ETOT(band)= -1.598928 trlgG= -2.270805 logG= -0.666272 TDE= -4.412088 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030589 tlogG= -0.629664 logG= -0.660252 Density= 3.417890 ETOT(band)= -1.575663 trlgG= -2.242803 logG= -0.660252 TDE= -4.408604 logGD-logG0= -0.030467 tlogG= -0.640315 logG= -0.670782 Density= 3.410877 ETOT(band)= -1.589542 trlgG= -2.267304 logG= -0.670782 TDE= -4.416777 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.029636 tlogG= -0.634743 logG= -0.664379 Density= 3.384157 ETOT(band)= -1.606959 trlgG= -2.276502 logG= -0.664379 TDE= -4.410284 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.030301 tlogG= -0.630151 logG= -0.660452 Density= 3.412416 ETOT(band)= -1.580352 trlgG= -2.247275 logG= -0.660452 TDE= -4.408350 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.029849 tlogG= -0.636213 logG= -0.666063 Density= 3.398011 ETOT(band)= -1.596506 trlgG= -2.268193 logG= -0.666063 TDE= -4.411747 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.029851 tlogG= -0.633925 logG= -0.663775 Density= 3.395623 ETOT(band)= -1.596612 trlgG= -2.265775 logG= -0.663775 TDE= -4.409642 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.029696 tlogG= -0.636482 logG= -0.666178 Density= 3.387322 ETOT(band)= -1.605416 trlgG= -2.276729 logG= -0.666178 TDE= -4.411329 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=130 logGD-logG0= -0.030603 tlogG= -0.627569 logG= -0.658172 Density= 3.426884 ETOT(band)= -1.566806 trlgG= -2.232168 logG= -0.658172 TDE= -4.407486 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.029690 tlogG= -0.637336 logG= -0.667026 Density= 3.389341 ETOT(band)= -1.604486 trlgG= -2.276880 logG= -0.667026 TDE= -4.412302 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030036 tlogG= -0.633746 logG= -0.663782 Density= 3.399262 ETOT(band)= -1.593757 trlgG= -2.263228 logG= -0.663782 TDE= -4.410097 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.030300 tlogG= -0.638552 logG= -0.668852 Density= 3.410012 ETOT(band)= -1.588824 trlgG= -2.264349 logG= -0.668852 TDE= -4.415036 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.029780 tlogG= -0.632059 logG= -0.661838 Density= 3.391681 ETOT(band)= -1.598630 trlgG= -2.265713 logG= -0.661838 TDE= -4.408257 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.029623 tlogG= -0.639552 logG= -0.669176 Density= 3.386888 ETOT(band)= -1.608174 trlgG= -2.282648 logG= -0.669176 TDE= -4.413892 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.029999 tlogG= -0.630636 logG= -0.660636 Density= 3.404388 ETOT(band)= -1.587130 trlgG= -2.253564 logG= -0.660636 TDE= -4.407817 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.029990 tlogG= -0.633917 logG= -0.663907 Density= 3.398187 ETOT(band)= -1.594864 trlgG= -2.264483 logG= -0.663907 TDE= -4.410339 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030215 tlogG= -0.633501 logG= -0.663716 Density= 3.399967 ETOT(band)= -1.593181 trlgG= -2.262844 logG= -0.663716 TDE= -4.410363 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.030716 tlogG= -0.625203 logG= -0.655919 Density= 3.419926 ETOT(band)= -1.570751 trlgG= -2.233616 logG= -0.655919 TDE= -4.405434 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.029657 tlogG= -0.639419 logG= -0.669076 Density= 3.388258 ETOT(band)= -1.606865 trlgG= -2.281245 logG= -0.669076 TDE= -4.413722 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030297 tlogG= -0.631047 logG= -0.661344 Density= 3.412754 ETOT(band)= -1.580675 trlgG= -2.248441 logG= -0.661344 TDE= -4.408904 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.029786 tlogG= -0.634122 logG= -0.663909 Density= 3.392151 ETOT(band)= -1.599609 trlgG= -2.268738 logG= -0.663909 TDE= -4.409601 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030058 tlogG= -0.640874 logG= -0.670932 Density= 3.408058 ETOT(band)= -1.592020 trlgG= -2.269396 logG= -0.670932 TDE= -4.416387 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.030235 tlogG= -0.636489 logG= -0.666724 Density= 3.404181 ETOT(band)= -1.591981 trlgG= -2.265066 logG= -0.666724 TDE= -4.413060 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.030201 tlogG= -0.631315 logG= -0.661516 Density= 3.405875 ETOT(band)= -1.586624 trlgG= -2.254330 logG= -0.661516 TDE= -4.408933 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.029794 tlogG= -0.634104 logG= -0.663898 Density= 3.393139 ETOT(band)= -1.598878 trlgG= -2.268067 logG= -0.663898 TDE= -4.409757 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.029624 tlogG= -0.636795 logG= -0.666419 Density= 3.384767 ETOT(band)= -1.607952 trlgG= -2.279570 logG= -0.666419 TDE= -4.411817 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=133 logGD-logG0= -0.031704 tlogG= -0.623776 logG= -0.655479 Density= 3.441733 ETOT(band)= -1.552475 trlgG= -2.216409 logG= -0.655479 TDE= -4.406698 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030037 tlogG= -0.635905 logG= -0.665943 Density= 3.404330 ETOT(band)= -1.591210 trlgG= -2.263235 logG= -0.665943 TDE= -4.412134 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.029992 tlogG= -0.631700 logG= -0.661691 Density= 3.401123 ETOT(band)= -1.590709 trlgG= -2.258184 logG= -0.661691 TDE= -4.408683 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.030969 tlogG= -0.626987 logG= -0.657956 Density= 3.431215 ETOT(band)= -1.563035 trlgG= -2.228641 logG= -0.657956 TDE= -4.407756 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.029731 tlogG= -0.634314 logG= -0.664045 Density= 3.387252 ETOT(band)= -1.603811 trlgG= -2.272875 logG= -0.664045 TDE= -4.409551 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.030241 tlogG= -0.633352 logG= -0.663593 Density= 3.401044 ETOT(band)= -1.592087 trlgG= -2.261610 logG= -0.663593 TDE= -4.410142 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.029911 tlogG= -0.631740 logG= -0.661651 Density= 3.399893 ETOT(band)= -1.591533 trlgG= -2.258670 logG= -0.661651 TDE= -4.408192 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.030098 tlogG= -0.631401 logG= -0.661499 Density= 3.406055 ETOT(band)= -1.586315 trlgG= -2.253834 logG= -0.661499 TDE= -4.408602 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.030344 tlogG= -0.627977 logG= -0.658322 Density= 3.414308 ETOT(band)= -1.577211 trlgG= -2.241804 logG= -0.658322 TDE= -4.406574 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030708 tlogG= -0.627422 logG= -0.658130 Density= 3.428332 ETOT(band)= -1.565532 trlgG= -2.230906 logG= -0.658130 TDE= -4.407463 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.029713 tlogG= -0.634510 logG= -0.664223 Density= 3.389185 ETOT(band)= -1.602604 trlgG= -2.272089 logG= -0.664223 TDE= -4.410186 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 Sum of eigenvalues= -1038.20001566663 eV TrLogG= -1468.88087819730 eV Ratio to renormalize= 1.003671314495 rho-rho_expected=-0.599893180684 nargs= 1 argi=dmft2.def 43) Finished k-point number 44 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 29) Finished k-point number 30 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 25) Finished k-point number 26 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 14) Finished k-point number 15 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.805152685370522 0.804492920778466 0.804280745479902 0.804774895451372 0.804983020515958 0.804250166498159 0.805430896410590 0.804367950162222 0.804383991957132 0.805361144796216 0.804545250918551 0.804288550300186 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.031212 tlogG= -0.631131 logG= -0.662343 Density= 3.413549 ETOT(band)= -1.587518 trlgG= -2.256765 logG= -0.662343 TDE= -4.416886 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030907 tlogG= -0.623124 logG= -0.654031 Density= 3.417917 ETOT(band)= -1.577487 trlgG= -2.237822 logG= -0.654031 TDE= -4.409867 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.030428 tlogG= -0.629049 logG= -0.659477 Density= 3.397136 ETOT(band)= -1.598614 trlgG= -2.263222 logG= -0.659477 TDE= -4.412637 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.031132 tlogG= -0.628968 logG= -0.660100 Density= 3.412115 ETOT(band)= -1.586893 trlgG= -2.253574 logG= -0.660100 TDE= -4.414753 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.031723 tlogG= -0.619988 logG= -0.651711 Density= 3.439552 ETOT(band)= -1.558108 trlgG= -2.217648 logG= -0.651711 TDE= -4.409902 logGD-logG0= -0.030413 tlogG= -0.633933 logG= -0.664346 Density= 3.402601 ETOT(band)= -1.597866 trlgG= -2.267930 logG= -0.664346 TDE= -4.416996 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=126 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.030570 tlogG= -0.624592 logG= -0.655162 Density= 3.405266 ETOT(band)= -1.588796 trlgG= -2.249586 logG= -0.655162 TDE= -4.410040 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.030927 tlogG= -0.628414 logG= -0.659341 Density= 3.412205 ETOT(band)= -1.586194 trlgG= -2.251820 logG= -0.659341 TDE= -4.413832 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.031417 tlogG= -0.632773 logG= -0.664190 Density= 3.414280 ETOT(band)= -1.588203 trlgG= -2.259615 logG= -0.664190 TDE= -4.418494 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.030585 tlogG= -0.626638 logG= -0.657223 Density= 3.404451 ETOT(band)= -1.590911 trlgG= -2.253610 logG= -0.657223 TDE= -4.411329 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030886 tlogG= -0.628657 logG= -0.659544 Density= 3.410917 ETOT(band)= -1.587602 trlgG= -2.253452 logG= -0.659544 TDE= -4.414196 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030980 tlogG= -0.633373 logG= -0.664353 Density= 3.412734 ETOT(band)= -1.589652 trlgG= -2.260677 logG= -0.664353 TDE= -4.418115 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.030502 tlogG= -0.626834 logG= -0.657336 Density= 3.400756 ETOT(band)= -1.594158 trlgG= -2.256889 logG= -0.657336 TDE= -4.411439 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030683 tlogG= -0.628753 logG= -0.659436 Density= 3.407905 ETOT(band)= -1.589781 trlgG= -2.255069 logG= -0.659436 TDE= -4.413431 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.031103 tlogG= -0.625823 logG= -0.656926 Density= 3.411210 ETOT(band)= -1.585066 trlgG= -2.248378 logG= -0.656926 TDE= -4.411983 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.030329 tlogG= -0.629370 logG= -0.659699 Density= 3.391997 ETOT(band)= -1.603250 trlgG= -2.268070 logG= -0.659699 TDE= -4.413015 logGD-logG0= -0.030448 tlogG= -0.629882 logG= -0.660330 Density= 3.398865 ETOT(band)= -1.597961 trlgG= -2.263650 logG= -0.660330 TDE= -4.413643 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.030467 tlogG= -0.627068 logG= -0.657534 Density= 3.398479 ETOT(band)= -1.596266 trlgG= -2.259054 logG= -0.657534 TDE= -4.411523 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030824 tlogG= -0.631639 logG= -0.662463 Density= 3.411353 ETOT(band)= -1.589437 trlgG= -2.258287 logG= -0.662463 TDE= -4.416472 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.030871 tlogG= -0.626250 logG= -0.657121 Density= 3.407785 ETOT(band)= -1.588089 trlgG= -2.251197 logG= -0.657121 TDE= -4.411775 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.032441 tlogG= -0.616874 logG= -0.649316 Density= 3.445463 ETOT(band)= -1.551404 trlgG= -2.209305 logG= -0.649316 TDE= -4.408841 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.030632 tlogG= -0.626798 logG= -0.657430 Density= 3.403763 ETOT(band)= -1.591809 trlgG= -2.254804 logG= -0.657430 TDE= -4.411746 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.031336 tlogG= -0.620427 logG= -0.651763 Density= 3.426394 ETOT(band)= -1.568791 trlgG= -2.227569 logG= -0.651763 TDE= -4.408890 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.031277 tlogG= -0.623512 logG= -0.654789 Density= 3.426054 ETOT(band)= -1.571307 trlgG= -2.232997 logG= -0.654789 TDE= -4.411011 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.030413 tlogG= -0.631970 logG= -0.662383 Density= 3.399958 ETOT(band)= -1.598545 trlgG= -2.266421 logG= -0.662383 TDE= -4.415265 logGD-logG0= -0.031217 tlogG= -0.620580 logG= -0.651796 Density= 3.425696 ETOT(band)= -1.569456 trlgG= -2.228205 logG= -0.651796 TDE= -4.408916 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030862 tlogG= -0.631516 logG= -0.662378 Density= 3.412011 ETOT(band)= -1.588747 trlgG= -2.257516 logG= -0.662378 TDE= -4.416331 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.030600 tlogG= -0.629037 logG= -0.659637 Density= 3.405360 ETOT(band)= -1.592234 trlgG= -2.257711 logG= -0.659637 TDE= -4.413766 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.030815 tlogG= -0.626426 logG= -0.657241 Density= 3.405529 ETOT(band)= -1.590162 trlgG= -2.253275 logG= -0.657241 TDE= -4.411866 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030866 tlogG= -0.624204 logG= -0.655070 Density= 3.415151 ETOT(band)= -1.580617 trlgG= -2.242085 logG= -0.655070 TDE= -4.410804 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=131 logGD-logG0= -0.031629 tlogG= -0.622080 logG= -0.653709 Density= 3.431955 ETOT(band)= -1.565705 trlgG= -2.227018 logG= -0.653709 TDE= -4.410992 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.030326 tlogG= -0.627325 logG= -0.657652 Density= 3.389450 ETOT(band)= -1.603839 trlgG= -2.266402 logG= -0.657652 TDE= -4.411288 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=130 logGD-logG0= -0.031833 tlogG= -0.619836 logG= -0.651669 Density= 3.440158 ETOT(band)= -1.557512 trlgG= -2.217073 logG= -0.651669 TDE= -4.409870 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.031294 tlogG= -0.622605 logG= -0.653899 Density= 3.428289 ETOT(band)= -1.568891 trlgG= -2.229976 logG= -0.653899 TDE= -4.410729 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.031019 tlogG= -0.623897 logG= -0.654917 Density= 3.421748 ETOT(band)= -1.574936 trlgG= -2.236380 logG= -0.654917 TDE= -4.410707 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030811 tlogG= -0.629434 logG= -0.660245 Density= 3.406948 ETOT(band)= -1.591262 trlgG= -2.257606 logG= -0.660245 TDE= -4.414367 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.031236 tlogG= -0.631034 logG= -0.662270 Density= 3.413966 ETOT(band)= -1.587042 trlgG= -2.256213 logG= -0.662270 TDE= -4.416753 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.032240 tlogG= -0.619227 logG= -0.651467 Density= 3.442699 ETOT(band)= -1.555224 trlgG= -2.215046 logG= -0.651467 TDE= -4.410145 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.030366 tlogG= -0.632107 logG= -0.662473 Density= 3.397621 ETOT(band)= -1.600631 trlgG= -2.268556 logG= -0.662473 TDE= -4.415378 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.031788 tlogG= -0.617593 logG= -0.649381 Density= 3.434618 ETOT(band)= -1.560254 trlgG= -2.217317 logG= -0.649381 TDE= -4.407820 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.030762 tlogG= -0.624264 logG= -0.655026 Density= 3.412669 ETOT(band)= -1.582458 trlgG= -2.243251 logG= -0.655026 TDE= -4.409961 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.030558 tlogG= -0.626671 logG= -0.657229 Density= 3.401955 ETOT(band)= -1.592863 trlgG= -2.255289 logG= -0.657229 TDE= -4.410938 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.031064 tlogG= -0.625976 logG= -0.657040 Density= 3.408485 ETOT(band)= -1.587500 trlgG= -2.250775 logG= -0.657040 TDE= -4.412013 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.031124 tlogG= -0.623786 logG= -0.654911 Density= 3.419650 ETOT(band)= -1.576785 trlgG= -2.238482 logG= -0.654911 TDE= -4.411080 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.032942 tlogG= -0.616080 logG= -0.649022 Density= 3.447689 ETOT(band)= -1.549263 trlgG= -2.207363 logG= -0.649022 TDE= -4.409033 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.032124 tlogG= -0.619366 logG= -0.651490 Density= 3.442113 ETOT(band)= -1.555782 trlgG= -2.215555 logG= -0.651490 TDE= -4.410147 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030453 tlogG= -0.626886 logG= -0.657339 Density= 3.396181 ETOT(band)= -1.597718 trlgG= -2.259962 logG= -0.657339 TDE= -4.410726 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.030659 tlogG= -0.626447 logG= -0.657107 Density= 3.406028 ETOT(band)= -1.589395 trlgG= -2.252098 logG= -0.657107 TDE= -4.411238 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 Sum of eigenvalues= -1033.78748375705 eV TrLogG= -1465.74456941058 eV Ratio to renormalize= 1.000740340084 rho-rho_expected=-0.121325951269 nargs= 1 argi=dmft2.def 39) Finished k-point number 40 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 29) Finished k-point number 30 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 33) Finished k-point number 34 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 8) Finished k-point number 9 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 28) Finished k-point number 29 1 with #bands= 107 11) Finished k-point number 12 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.804861621176520 0.804232725904566 0.804023930724458 0.804481768198950 0.804724585650491 0.803993616929288 0.805140649599991 0.804106908020009 0.804127137352551 0.805070794318930 0.804284408887797 0.804032347522033 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.031144 tlogG= -0.620148 logG= -0.651292 Density= 3.424570 ETOT(band)= -1.569097 trlgG= -2.227300 logG= -0.651292 TDE= -4.407584 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.030373 tlogG= -0.628617 logG= -0.658990 Density= 3.396220 ETOT(band)= -1.598111 trlgG= -2.262242 logG= -0.658990 TDE= -4.411387 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.030839 tlogG= -0.622693 logG= -0.653532 Density= 3.416940 ETOT(band)= -1.577014 trlgG= -2.236819 logG= -0.653532 TDE= -4.408555 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.031641 tlogG= -0.619557 logG= -0.651198 Density= 3.438855 ETOT(band)= -1.557385 trlgG= -2.216381 logG= -0.651198 TDE= -4.408571 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.030621 tlogG= -0.628323 logG= -0.658943 Density= 3.407199 ETOT(band)= -1.589096 trlgG= -2.253889 logG= -0.658943 TDE= -4.412159 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.030500 tlogG= -0.626238 logG= -0.656738 Density= 3.401147 ETOT(band)= -1.592266 trlgG= -2.254208 logG= -0.656738 TDE= -4.409679 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.030822 tlogG= -0.628229 logG= -0.659051 Density= 3.410445 ETOT(band)= -1.586724 trlgG= -2.252078 logG= -0.659051 TDE= -4.412924 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030353 tlogG= -0.633508 logG= -0.663861 Density= 3.401554 ETOT(band)= -1.597469 trlgG= -2.267044 logG= -0.663861 TDE= -4.415730 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.030862 tlogG= -0.627985 logG= -0.658847 Density= 3.411738 ETOT(band)= -1.585311 trlgG= -2.250441 logG= -0.658847 TDE= -4.412560 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.031710 tlogG= -0.617162 logG= -0.648872 Density= 3.433475 ETOT(band)= -1.559899 trlgG= -2.216418 logG= -0.648872 TDE= -4.406486 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.031147 tlogG= -0.630705 logG= -0.661852 Density= 3.413291 ETOT(band)= -1.586467 trlgG= -2.255218 logG= -0.661852 TDE= -4.415617 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.030277 tlogG= -0.628940 logG= -0.659217 Density= 3.391254 ETOT(band)= -1.602611 trlgG= -2.266959 logG= -0.659217 TDE= -4.411772 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.030915 tlogG= -0.632948 logG= -0.663862 Density= 3.412453 ETOT(band)= -1.588621 trlgG= -2.259152 logG= -0.663862 TDE= -4.416847 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.031067 tlogG= -0.628541 logG= -0.659608 Density= 3.411622 ETOT(band)= -1.586032 trlgG= -2.252219 logG= -0.659608 TDE= -4.413483 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.031055 tlogG= -0.623356 logG= -0.654411 Density= 3.418604 ETOT(band)= -1.576366 trlgG= -2.237522 logG= -0.654411 TDE= -4.409755 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030571 tlogG= -0.626369 logG= -0.656940 Density= 3.402996 ETOT(band)= -1.591179 trlgG= -2.253667 logG= -0.656940 TDE= -4.410466 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030809 tlogG= -0.625820 logG= -0.656629 Density= 3.406925 ETOT(band)= -1.587533 trlgG= -2.250120 logG= -0.656629 TDE= -4.410478 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.031039 tlogG= -0.625394 logG= -0.656433 Density= 3.410165 ETOT(band)= -1.584660 trlgG= -2.247436 logG= -0.656433 TDE= -4.410670 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.030356 tlogG= -0.631542 logG= -0.661898 Density= 3.398946 ETOT(band)= -1.598121 trlgG= -2.265506 logG= -0.661898 TDE= -4.413998 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.031752 tlogG= -0.619404 logG= -0.651156 Density= 3.439465 ETOT(band)= -1.556785 trlgG= -2.215802 logG= -0.651156 TDE= -4.408538 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.030275 tlogG= -0.626893 logG= -0.657169 Density= 3.388894 ETOT(band)= -1.603046 trlgG= -2.265155 logG= -0.657169 TDE= -4.410065 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=130 logGD-logG0= -0.030444 tlogG= -0.626404 logG= -0.656848 Density= 3.399873 ETOT(band)= -1.593625 trlgG= -2.255861 logG= -0.656848 TDE= -4.410169 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.031351 tlogG= -0.632349 logG= -0.663700 Density= 3.414048 ETOT(band)= -1.587132 trlgG= -2.258050 logG= -0.663700 TDE= -4.417228 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.030539 tlogG= -0.628608 logG= -0.659147 Density= 3.404628 ETOT(band)= -1.591573 trlgG= -2.256554 logG= -0.659147 TDE= -4.412495 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030410 tlogG= -0.626637 logG= -0.657047 Density= 3.397716 ETOT(band)= -1.595636 trlgG= -2.257949 logG= -0.657047 TDE= -4.410275 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.030754 tlogG= -0.625997 logG= -0.656751 Density= 3.404790 ETOT(band)= -1.589509 trlgG= -2.252114 logG= -0.656751 TDE= -4.410585 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030309 tlogG= -0.631680 logG= -0.661989 Density= 3.396644 ETOT(band)= -1.600181 trlgG= -2.267615 logG= -0.661989 TDE= -4.414113 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.032041 tlogG= -0.618936 logG= -0.650976 Density= 3.441535 ETOT(band)= -1.554961 trlgG= -2.214188 logG= -0.650976 TDE= -4.408816 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030797 tlogG= -0.631089 logG= -0.661886 Density= 3.411641 ETOT(band)= -1.587786 trlgG= -2.256061 logG= -0.661886 TDE= -4.415062 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.030759 tlogG= -0.631212 logG= -0.661971 Density= 3.410966 ETOT(band)= -1.588491 trlgG= -2.256847 logG= -0.661971 TDE= -4.415203 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.031552 tlogG= -0.621651 logG= -0.653202 Density= 3.431036 ETOT(band)= -1.565172 trlgG= -2.225942 logG= -0.653202 TDE= -4.409662 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.030525 tlogG= -0.626206 logG= -0.656732 Density= 3.403540 ETOT(band)= -1.590396 trlgG= -2.252592 logG= -0.656732 TDE= -4.410048 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.032356 tlogG= -0.616443 logG= -0.648800 Density= 3.445070 ETOT(band)= -1.550429 trlgG= -2.207781 logG= -0.648800 TDE= -4.407508 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.031220 tlogG= -0.622174 logG= -0.653394 Density= 3.427240 ETOT(band)= -1.568465 trlgG= -2.229009 logG= -0.653394 TDE= -4.409399 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.031263 tlogG= -0.619995 logG= -0.651258 Density= 3.425318 ETOT(band)= -1.568391 trlgG= -2.226622 logG= -0.651258 TDE= -4.407559 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.031205 tlogG= -0.623080 logG= -0.654285 Density= 3.425238 ETOT(band)= -1.570694 trlgG= -2.231845 logG= -0.654285 TDE= -4.409689 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030510 tlogG= -0.624160 logG= -0.654670 Density= 3.404151 ETOT(band)= -1.588446 trlgG= -2.248720 logG= -0.654670 TDE= -4.408744 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.032856 tlogG= -0.615649 logG= -0.648505 Density= 3.447359 ETOT(band)= -1.548236 trlgG= -2.205788 logG= -0.648505 TDE= -4.407702 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030800 tlogG= -0.623773 logG= -0.654573 Density= 3.413978 ETOT(band)= -1.580305 trlgG= -2.241234 logG= -0.654573 TDE= -4.409481 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.030749 tlogG= -0.629006 logG= -0.659755 Density= 3.406274 ETOT(band)= -1.590554 trlgG= -2.256403 logG= -0.659755 TDE= -4.413097 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.030950 tlogG= -0.623465 logG= -0.654415 Density= 3.420689 ETOT(band)= -1.574524 trlgG= -2.235433 logG= -0.654415 TDE= -4.409387 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030399 tlogG= -0.626451 logG= -0.656850 Density= 3.395321 ETOT(band)= -1.597170 trlgG= -2.258937 logG= -0.656850 TDE= -4.409479 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.030598 tlogG= -0.626016 logG= -0.656614 Density= 3.405100 ETOT(band)= -1.588895 trlgG= -2.251080 logG= -0.656614 TDE= -4.409944 logGD-logG0= -0.031170 tlogG= -0.630608 logG= -0.661778 Density= 3.413709 ETOT(band)= -1.585989 trlgG= -2.254665 logG= -0.661778 TDE= -4.415484 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030699 tlogG= -0.623831 logG= -0.654529 Density= 3.411816 ETOT(band)= -1.581888 trlgG= -2.242163 logG= -0.654529 TDE= -4.408665 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.030392 tlogG= -0.629453 logG= -0.659845 Density= 3.398113 ETOT(band)= -1.597323 trlgG= -2.262541 logG= -0.659845 TDE= -4.412398 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.031001 tlogG= -0.625547 logG= -0.656549 Density= 3.407583 ETOT(band)= -1.586980 trlgG= -2.249726 logG= -0.656549 TDE= -4.410709 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.032157 tlogG= -0.618796 logG= -0.650953 Density= 3.442111 ETOT(band)= -1.554411 trlgG= -2.213687 logG= -0.650953 TDE= -4.408814 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 Sum of eigenvalues= -1033.36531262475 eV TrLogG= -1464.57851671231 eV Ratio to renormalize= 1.000962852686 rho-rho_expected=-0.157755944843 nargs= 1 argi=dmft2.def 46) Finished k-point number 47 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 2) Finished k-point number 3 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 34) Finished k-point number 35 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 19) Finished k-point number 20 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 15) Finished k-point number 16 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.804475537948018 0.804059546100881 0.803876705053281 0.804085396461685 0.804556161447140 0.803837287177063 0.804759419177443 0.803929434076782 0.803975609073527 0.804689103508034 0.804109823487592 0.803883468132729 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.031075 tlogG= -0.626711 logG= -0.657786 Density= 3.412987 ETOT(band)= -1.580780 trlgG= -2.245509 logG= -0.657786 TDE= -4.409722 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030287 tlogG= -0.627554 logG= -0.657841 Density= 3.397509 ETOT(band)= -1.593377 trlgG= -2.256743 logG= -0.657841 TDE= -4.408103 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030438 tlogG= -0.620151 logG= -0.650590 Density= 3.402711 ETOT(band)= -1.583672 trlgG= -2.239888 logG= -0.650590 TDE= -4.402801 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.031283 tlogG= -0.628355 logG= -0.659638 Density= 3.413793 ETOT(band)= -1.581410 trlgG= -2.248312 logG= -0.659638 TDE= -4.411340 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.030214 tlogG= -0.624950 logG= -0.655164 Density= 3.390116 ETOT(band)= -1.597629 trlgG= -2.257983 logG= -0.655164 TDE= -4.405908 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=120 logGD-logG0= -0.030282 tlogG= -0.629527 logG= -0.659809 Density= 3.400096 ETOT(band)= -1.592746 trlgG= -2.258310 logG= -0.659809 TDE= -4.409842 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=129 logGD-logG0= -0.030334 tlogG= -0.622440 logG= -0.652774 Density= 3.394045 ETOT(band)= -1.592274 trlgG= -2.250025 logG= -0.652774 TDE= -4.403588 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.031064 tlogG= -0.616119 logG= -0.647183 Density= 3.423168 ETOT(band)= -1.564254 trlgG= -2.218337 logG= -0.647183 TDE= -4.401571 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030375 tlogG= -0.622403 logG= -0.652778 Density= 3.398637 ETOT(band)= -1.588698 trlgG= -2.246904 logG= -0.652778 TDE= -4.404261 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030737 tlogG= -0.621809 logG= -0.652546 Density= 3.405850 ETOT(band)= -1.582461 trlgG= -2.240978 logG= -0.652546 TDE= -4.404529 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.030214 tlogG= -0.622896 logG= -0.653111 Density= 3.388008 ETOT(band)= -1.597851 trlgG= -2.255988 logG= -0.653111 TDE= -4.404223 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.030746 tlogG= -0.624234 logG= -0.654979 Density= 3.409797 ETOT(band)= -1.581309 trlgG= -2.242632 logG= -0.654979 TDE= -4.407015 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030870 tlogG= -0.619443 logG= -0.650313 Density= 3.419554 ETOT(band)= -1.569470 trlgG= -2.226288 logG= -0.650313 TDE= -4.403404 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030842 tlogG= -0.628960 logG= -0.659802 Density= 3.412127 ETOT(band)= -1.582960 trlgG= -2.249475 logG= -0.659802 TDE= -4.410961 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.031136 tlogG= -0.618150 logG= -0.649285 Density= 3.426045 ETOT(band)= -1.563450 trlgG= -2.219883 logG= -0.649285 TDE= -4.403394 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030497 tlogG= -0.622370 logG= -0.652867 Density= 3.401844 ETOT(band)= -1.586179 trlgG= -2.244619 logG= -0.652867 TDE= -4.404538 logGD-logG0= -0.031551 tlogG= -0.615522 logG= -0.647073 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Density= 3.438044 ETOT(band)= -1.552033 trlgG= -2.206909 logG= -0.647073 TDE= -4.402554 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030307 tlogG= -0.624617 logG= -0.654924 Density= 3.394879 ETOT(band)= -1.593280 trlgG= -2.253404 logG= -0.654924 TDE= -4.405506 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.030324 tlogG= -0.625460 logG= -0.655784 Density= 3.397009 ETOT(band)= -1.592301 trlgG= -2.253523 logG= -0.655784 TDE= -4.406528 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030547 tlogG= -0.624321 logG= -0.654868 Density= 3.406217 ETOT(band)= -1.583953 trlgG= -2.244712 logG= -0.654868 TDE= -4.406245 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030454 tlogG= -0.622199 logG= -0.652653 Density= 3.402329 ETOT(band)= -1.585439 trlgG= -2.243590 logG= -0.652653 TDE= -4.404124 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.031466 tlogG= -0.617621 logG= -0.649087 Density= 3.430002 ETOT(band)= -1.560017 trlgG= -2.216671 logG= -0.649087 TDE= -4.403653 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.030994 tlogG= -0.624539 logG= -0.655533 Density= 3.410980 ETOT(band)= -1.580611 trlgG= -2.242769 logG= -0.655533 TDE= -4.407575 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.030762 tlogG= -0.618673 logG= -0.649435 Density= 3.415781 ETOT(band)= -1.571987 trlgG= -2.227709 logG= -0.649435 TDE= -4.402584 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030787 tlogG= -0.623980 logG= -0.654768 Density= 3.411133 ETOT(band)= -1.579853 trlgG= -2.240948 logG= -0.654768 TDE= -4.406647 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.032069 tlogG= -0.614750 logG= -0.646819 Density= 3.441466 ETOT(band)= -1.548914 trlgG= -2.204063 logG= -0.646819 TDE= -4.402792 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030973 tlogG= -0.619341 logG= -0.650314 Density= 3.417337 ETOT(band)= -1.571426 trlgG= -2.228481 logG= -0.650314 TDE= -4.403763 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030524 tlogG= -0.622004 logG= -0.652529 Density= 3.403852 ETOT(band)= -1.583962 trlgG= -2.242077 logG= -0.652529 TDE= -4.403995 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.030340 tlogG= -0.622639 logG= -0.652980 Density= 3.396512 ETOT(band)= -1.590686 trlgG= -2.248993 logG= -0.652980 TDE= -4.404391 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030928 tlogG= -0.621538 logG= -0.652466 Density= 3.406377 ETOT(band)= -1.582017 trlgG= -2.240682 logG= -0.652466 TDE= -4.404750 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.032768 tlogG= -0.611586 logG= -0.644354 Density= 3.446990 ETOT(band)= -1.542495 trlgG= -2.195903 logG= -0.644354 TDE= -4.401664 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.031123 tlogG= -0.619055 logG= -0.650178 Density= 3.424346 ETOT(band)= -1.565436 trlgG= -2.222486 logG= -0.650178 TDE= -4.403699 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.031664 tlogG= -0.615364 logG= -0.647028 Density= 3.438650 ETOT(band)= -1.551434 trlgG= -2.206329 logG= -0.647028 TDE= -4.402520 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030625 tlogG= -0.619811 logG= -0.650436 Density= 3.410803 ETOT(band)= -1.576747 trlgG= -2.232957 logG= -0.650436 TDE= -4.402715 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.030685 tlogG= -0.627224 logG= -0.657909 Density= 3.410473 ETOT(band)= -1.582961 trlgG= -2.247298 logG= -0.657909 TDE= -4.409309 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030966 tlogG= -0.621379 logG= -0.652345 Density= 3.408851 ETOT(band)= -1.579778 trlgG= -2.238463 logG= -0.652345 TDE= -4.404697 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.030242 tlogG= -0.627696 logG= -0.657938 Density= 3.395233 ETOT(band)= -1.595424 trlgG= -2.258844 logG= -0.657938 TDE= -4.408225 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030683 tlogG= -0.621992 logG= -0.652674 Density= 3.403807 ETOT(band)= -1.584369 trlgG= -2.242925 logG= -0.652674 TDE= -4.404659 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030466 tlogG= -0.624616 logG= -0.655081 Density= 3.403568 ETOT(band)= -1.586504 trlgG= -2.247457 logG= -0.655081 TDE= -4.406586 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.032267 tlogG= -0.612389 logG= -0.644656 Density= 3.444598 ETOT(band)= -1.544780 trlgG= -2.197994 logG= -0.644656 TDE= -4.401476 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030720 tlogG= -0.619761 logG= -0.650482 Density= 3.412573 ETOT(band)= -1.575486 trlgG= -2.232320 logG= -0.650482 TDE= -4.403496 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.030677 tlogG= -0.625009 logG= -0.655686 Density= 3.405344 ETOT(band)= -1.585378 trlgG= -2.247198 logG= -0.655686 TDE= -4.407191 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.031099 tlogG= -0.626611 logG= -0.657709 Density= 3.413414 ETOT(band)= -1.580292 trlgG= -2.244944 logG= -0.657709 TDE= -4.409587 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.031185 tlogG= -0.615961 logG= -0.647145 Density= 3.423988 ETOT(band)= -1.563486 trlgG= -2.217595 logG= -0.647145 TDE= -4.401545 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.031950 tlogG= -0.614894 logG= -0.646844 Density= 3.440915 ETOT(band)= -1.549445 trlgG= -2.204546 logG= -0.646844 TDE= -4.402794 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.030429 tlogG= -0.622227 logG= -0.652656 Density= 3.399957 ETOT(band)= -1.587290 trlgG= -2.245205 logG= -0.652656 TDE= -4.403775 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.030723 tlogG= -0.627097 logG= -0.657820 Density= 3.411183 ETOT(band)= -1.582225 trlgG= -2.246477 logG= -0.657820 TDE= -4.409165 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.031628 tlogG= -0.613116 logG= -0.644743 Density= 3.431931 ETOT(band)= -1.555145 trlgG= -2.207537 logG= -0.644743 TDE= -4.400457 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 Sum of eigenvalues= -1030.00084346701 eV TrLogG= -1458.03003447910 eV Ratio to renormalize= 1.001252610819 rho-rho_expected=-0.205171174636 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 2) Finished k-point number 3 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 11) Finished k-point number 12 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.804416671221816 0.804075307430493 0.803908277765347 0.804020972346925 0.804578258079032 0.803867918622053 0.804706790885101 0.803949707520862 0.804007720874220 0.804635011642763 0.804133010180403 0.803914222722160 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.031145 tlogG= -0.618328 logG= -0.649472 Density= 3.426114 ETOT(band)= -1.563140 trlgG= -2.219771 logG= -0.649472 TDE= -4.403152 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.030222 tlogG= -0.623073 logG= -0.653294 Density= 3.387967 ETOT(band)= -1.597626 trlgG= -2.255947 logG= -0.653294 TDE= -4.403965 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=130 logGD-logG0= -0.031290 tlogG= -0.628530 logG= -0.659820 Density= 3.413752 ETOT(band)= -1.581182 trlgG= -2.248270 logG= -0.659820 TDE= -4.411082 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.030770 tlogG= -0.618851 logG= -0.649620 Density= 3.415800 ETOT(band)= -1.571717 trlgG= -2.227633 logG= -0.649620 TDE= -4.402338 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.031105 tlogG= -0.626787 logG= -0.657892 Density= 3.413373 ETOT(band)= -1.580065 trlgG= -2.244903 logG= -0.657892 TDE= -4.409330 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.031074 tlogG= -0.616297 logG= -0.647371 Density= 3.423203 ETOT(band)= -1.563973 trlgG= -2.218254 logG= -0.647371 TDE= -4.401329 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.030553 tlogG= -0.624498 logG= -0.655051 Density= 3.406116 ETOT(band)= -1.583776 trlgG= -2.244717 logG= -0.655051 TDE= -4.405985 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.030289 tlogG= -0.629701 logG= -0.659990 Density= 3.400003 ETOT(band)= -1.592559 trlgG= -2.258305 logG= -0.659990 TDE= -4.409579 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.030330 tlogG= -0.625636 logG= -0.655966 Density= 3.396937 ETOT(band)= -1.592099 trlgG= -2.253505 logG= -0.655966 TDE= -4.406268 logGD-logG0= -0.030752 tlogG= -0.624410 logG= -0.655161 Density= 3.409743 ETOT(band)= -1.581093 trlgG= -2.242600 logG= -0.655161 TDE= -4.406756 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.030935 tlogG= -0.621715 logG= -0.652650 Density= 3.406371 ETOT(band)= -1.581763 trlgG= -2.240618 logG= -0.652650 TDE= -4.404497 logGD-logG0= -0.030347 tlogG= -0.622815 logG= -0.653162 Density= 3.396420 ETOT(band)= -1.590502 trlgG= -2.248991 logG= -0.653162 TDE= -4.404130 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.031194 tlogG= -0.616139 logG= -0.647333 Density= 3.424003 ETOT(band)= -1.563222 trlgG= -2.217529 logG= -0.647333 TDE= -4.401303 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030294 tlogG= -0.627730 logG= -0.658023 Density= 3.397395 ETOT(band)= -1.593209 trlgG= -2.256756 logG= -0.658023 TDE= -4.407840 logGD-logG0= -0.030974 tlogG= -0.621557 logG= -0.652530 Density= 3.408856 ETOT(band)= -1.579516 trlgG= -2.238392 logG= -0.652530 TDE= -4.404446 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.031562 tlogG= -0.615700 logG= -0.647262 Density= 3.438056 ETOT(band)= -1.551773 trlgG= -2.206848 logG= -0.647262 TDE= -4.402314 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.030382 tlogG= -0.622579 logG= -0.652961 Density= 3.398584 ETOT(band)= -1.588482 trlgG= -2.246874 logG= -0.652961 TDE= -4.404003 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030981 tlogG= -0.619518 logG= -0.650499 Density= 3.417409 ETOT(band)= -1.571111 trlgG= -2.228361 logG= -0.650499 TDE= -4.403518 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.031132 tlogG= -0.619234 logG= -0.650366 Density= 3.424378 ETOT(band)= -1.565156 trlgG= -2.222402 logG= -0.650366 TDE= -4.403455 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030631 tlogG= -0.619989 logG= -0.650620 Density= 3.410747 ETOT(band)= -1.576536 trlgG= -2.232937 logG= -0.650620 TDE= -4.402464 logGD-logG0= -0.030503 tlogG= -0.622546 logG= -0.653049 Density= 3.401770 ETOT(band)= -1.585980 trlgG= -2.244602 logG= -0.653049 TDE= -4.404277 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030691 tlogG= -0.627399 logG= -0.658090 Density= 3.410421 ETOT(band)= -1.582741 trlgG= -2.247262 logG= -0.658090 TDE= -4.409050 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.030744 tlogG= -0.621987 logG= -0.652730 Density= 3.405838 ETOT(band)= -1.582212 trlgG= -2.240918 logG= -0.652730 TDE= -4.404276 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.031001 tlogG= -0.624716 logG= -0.655716 Density= 3.410927 ETOT(band)= -1.580394 trlgG= -2.242737 logG= -0.655716 TDE= -4.407317 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.032279 tlogG= -0.612568 logG= -0.644847 Density= 3.444564 ETOT(band)= -1.544560 trlgG= -2.197978 logG= -0.644847 TDE= -4.401239 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.030461 tlogG= -0.622376 logG= -0.652837 Density= 3.402248 ETOT(band)= -1.585247 trlgG= -2.243583 logG= -0.652837 TDE= -4.403866 logGD-logG0= -0.030435 tlogG= -0.622405 logG= -0.652840 Density= 3.399845 ETOT(band)= -1.587123 trlgG= -2.245222 logG= -0.652840 TDE= -4.403515 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.030313 tlogG= -0.624794 logG= -0.655107 Density= 3.394734 ETOT(band)= -1.593139 trlgG= -2.253445 logG= -0.655107 TDE= -4.405244 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.030472 tlogG= -0.624791 logG= -0.655263 Density= 3.403487 ETOT(band)= -1.586310 trlgG= -2.247444 logG= -0.655263 TDE= -4.406326 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.031961 tlogG= -0.615072 logG= -0.647034 Density= 3.440924 ETOT(band)= -1.549189 trlgG= -2.204491 logG= -0.647034 TDE= -4.402556 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.030878 tlogG= -0.619621 logG= -0.650499 Density= 3.419603 ETOT(band)= -1.569175 trlgG= -2.226186 logG= -0.650499 TDE= -4.403157 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.031081 tlogG= -0.626887 logG= -0.657968 Density= 3.412948 ETOT(band)= -1.580551 trlgG= -2.245466 logG= -0.657968 TDE= -4.409465 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030729 tlogG= -0.627273 logG= -0.658002 Density= 3.411127 ETOT(band)= -1.582009 trlgG= -2.246446 logG= -0.658002 TDE= -4.408906 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.030249 tlogG= -0.627871 logG= -0.658120 Density= 3.395154 ETOT(band)= -1.595227 trlgG= -2.258829 logG= -0.658120 TDE= -4.407963 logGD-logG0= -0.030446 tlogG= -0.620328 logG= -0.650774 Density= 3.402686 ETOT(band)= -1.583435 trlgG= -2.239841 logG= -0.650774 TDE= -4.402550 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.030848 tlogG= -0.629136 logG= -0.659984 Density= 3.412082 ETOT(band)= -1.582734 trlgG= -2.249434 logG= -0.659984 TDE= -4.410701 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.032080 tlogG= -0.614929 logG= -0.647009 Density= 3.441473 ETOT(band)= -1.548658 trlgG= -2.204010 logG= -0.647009 TDE= -4.402554 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030794 tlogG= -0.624158 logG= -0.654951 Density= 3.411078 ETOT(band)= -1.579638 trlgG= -2.240919 logG= -0.654951 TDE= -4.406389 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030690 tlogG= -0.622168 logG= -0.652858 Density= 3.403793 ETOT(band)= -1.584121 trlgG= -2.242864 logG= -0.652858 TDE= -4.404403 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030340 tlogG= -0.622618 logG= -0.652959 Density= 3.393874 ETOT(band)= -1.592156 trlgG= -2.250088 logG= -0.652959 TDE= -4.403326 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.031476 tlogG= -0.617799 logG= -0.649275 Density= 3.430067 ETOT(band)= -1.559711 trlgG= -2.216565 logG= -0.649275 TDE= -4.403412 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.030531 tlogG= -0.622182 logG= -0.652713 Density= 3.403804 ETOT(band)= -1.583743 trlgG= -2.242045 logG= -0.652713 TDE= -4.403739 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030684 tlogG= -0.625185 logG= -0.655869 Density= 3.405273 ETOT(band)= -1.585176 trlgG= -2.247179 logG= -0.655869 TDE= -4.406931 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.031639 tlogG= -0.613294 logG= -0.644933 Density= 3.431957 ETOT(band)= -1.554875 trlgG= -2.207467 logG= -0.644933 TDE= -4.400218 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.031674 tlogG= -0.615543 logG= -0.647217 Density= 3.438652 ETOT(band)= -1.551182 trlgG= -2.206277 logG= -0.647217 TDE= -4.402281 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.030726 tlogG= -0.619938 logG= -0.650664 Density= 3.412640 ETOT(band)= -1.575175 trlgG= -2.232200 logG= -0.650664 TDE= -4.403249 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.030221 tlogG= -0.625126 logG= -0.655346 Density= 3.390061 ETOT(band)= -1.597414 trlgG= -2.257951 logG= -0.655346 TDE= -4.405648 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.032780 tlogG= -0.611766 logG= -0.644546 Density= 3.446954 ETOT(band)= -1.542276 trlgG= -2.195889 logG= -0.644546 TDE= -4.401428 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 Sum of eigenvalues= -1029.85091339757 eV TrLogG= -1457.98557609802 eV Ratio to renormalize= 1.001262491755 rho-rho_expected=-0.206787580227 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 34) Finished k-point number 35 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 44) Finished k-point number 45 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.804393471633585 0.804169162573292 0.804019293634608 0.803997558379796 0.804674678722661 0.803979201175127 0.804682494881412 0.804043516790445 0.804119887865599 0.804608277962526 0.804230302252423 0.804025398501193 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.031091 tlogG= -0.626894 logG= -0.657985 Density= 3.412894 ETOT(band)= -1.579961 trlgG= -2.244899 logG= -0.657985 TDE= -4.408837 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.030392 tlogG= -0.622587 logG= -0.652979 Density= 3.398486 ETOT(band)= -1.587931 trlgG= -2.246345 logG= -0.652979 TDE= -4.403376 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.030299 tlogG= -0.629706 logG= -0.660005 Density= 3.399860 ETOT(band)= -1.592040 trlgG= -2.257805 logG= -0.660005 TDE= -4.408945 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.030456 tlogG= -0.620338 logG= -0.650793 Density= 3.402621 ETOT(band)= -1.582859 trlgG= -2.239297 logG= -0.650793 TDE= -4.401932 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.031299 tlogG= -0.628537 logG= -0.659836 Density= 3.413698 ETOT(band)= -1.580592 trlgG= -2.247704 logG= -0.659836 TDE= -4.410455 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.030984 tlogG= -0.621566 logG= -0.652550 Density= 3.408846 ETOT(band)= -1.578895 trlgG= -2.237802 logG= -0.652550 TDE= -4.403827 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.030470 tlogG= -0.622386 logG= -0.652856 Density= 3.402113 ETOT(band)= -1.584726 trlgG= -2.243086 logG= -0.652856 TDE= -4.403238 logGD-logG0= -0.030561 tlogG= -0.624508 logG= -0.655069 Density= 3.405961 ETOT(band)= -1.583270 trlgG= -2.244232 logG= -0.655069 TDE= -4.405354 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.030481 tlogG= -0.624799 logG= -0.655280 Density= 3.403359 ETOT(band)= -1.585782 trlgG= -2.246936 logG= -0.655280 TDE= -4.405694 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030340 tlogG= -0.625644 logG= -0.655984 Density= 3.396820 ETOT(band)= -1.591562 trlgG= -2.252989 logG= -0.655984 TDE= -4.405637 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.030512 tlogG= -0.622554 logG= -0.653066 Density= 3.401648 ETOT(band)= -1.585448 trlgG= -2.244087 logG= -0.653066 TDE= -4.403645 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030232 tlogG= -0.623082 logG= -0.653314 Density= 3.387891 ETOT(band)= -1.597059 trlgG= -2.255403 logG= -0.653314 TDE= -4.403338 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.032295 tlogG= -0.612580 logG= -0.644875 Density= 3.444503 ETOT(band)= -1.543991 trlgG= -2.197455 logG= -0.644875 TDE= -4.400637 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030754 tlogG= -0.621996 logG= -0.652750 Density= 3.405805 ETOT(band)= -1.581608 trlgG= -2.240343 logG= -0.652750 TDE= -4.403654 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030303 tlogG= -0.627737 logG= -0.658040 Density= 3.397218 ETOT(band)= -1.592720 trlgG= -2.256284 logG= -0.658040 TDE= -4.407206 logGD-logG0= -0.031143 tlogG= -0.619245 logG= -0.650389 Density= 3.424404 ETOT(band)= -1.564509 trlgG= -2.221792 logG= -0.650389 TDE= -4.402843 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030259 tlogG= -0.627877 logG= -0.658136 Density= 3.395025 ETOT(band)= -1.594698 trlgG= -2.258318 logG= -0.658136 TDE= -4.407329 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030540 tlogG= -0.622193 logG= -0.652733 Density= 3.403717 ETOT(band)= -1.583185 trlgG= -2.241512 logG= -0.652733 TDE= -4.403113 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.030738 tlogG= -0.627280 logG= -0.658018 Density= 3.411047 ETOT(band)= -1.581440 trlgG= -2.245899 logG= -0.658018 TDE= -4.408276 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.031576 tlogG= -0.615711 logG= -0.647287 Density= 3.438055 ETOT(band)= -1.551152 trlgG= -2.206269 logG= -0.647287 TDE= -4.401709 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.032094 tlogG= -0.614942 logG= -0.647036 Density= 3.441473 ETOT(band)= -1.548039 trlgG= -2.203434 logG= -0.647036 TDE= -4.401950 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.031157 tlogG= -0.618338 logG= -0.649495 Density= 3.426187 ETOT(band)= -1.562456 trlgG= -2.219124 logG= -0.649495 TDE= -4.402543 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.030946 tlogG= -0.621724 logG= -0.652669 Density= 3.406345 ETOT(band)= -1.581154 trlgG= -2.240037 logG= -0.652669 TDE= -4.403875 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.030781 tlogG= -0.618861 logG= -0.649642 Density= 3.415808 ETOT(band)= -1.571084 trlgG= -2.227036 logG= -0.649642 TDE= -4.401725 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030322 tlogG= -0.624804 logG= -0.655126 Density= 3.394508 ETOT(band)= -1.592693 trlgG= -2.253018 logG= -0.655126 TDE= -4.404612 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.030349 tlogG= -0.622631 logG= -0.652979 Density= 3.393607 ETOT(band)= -1.591747 trlgG= -2.249697 logG= -0.652979 TDE= -4.402693 logGD-logG0= -0.031688 tlogG= -0.615555 logG= -0.647243 Density= 3.438640 ETOT(band)= -1.550571 trlgG= -2.205709 logG= -0.647243 TDE= -4.401676 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030693 tlogG= -0.625193 logG= -0.655886 Density= 3.405164 ETOT(band)= -1.584632 trlgG= -2.246656 logG= -0.655886 TDE= -4.406300 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.031207 tlogG= -0.616151 logG= -0.647358 Density= 3.423993 ETOT(band)= -1.562607 trlgG= -2.216953 logG= -0.647358 TDE= -4.400695 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.031087 tlogG= -0.616307 logG= -0.647395 Density= 3.423217 ETOT(band)= -1.563339 trlgG= -2.217658 logG= -0.647395 TDE= -4.400721 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.030761 tlogG= -0.624417 logG= -0.655178 Density= 3.409661 ETOT(band)= -1.580527 trlgG= -2.242056 logG= -0.655178 TDE= -4.406127 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.031489 tlogG= -0.617810 logG= -0.649299 Density= 3.430143 ETOT(band)= -1.559026 trlgG= -2.215920 logG= -0.649299 TDE= -4.402805 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.030231 tlogG= -0.625133 logG= -0.655364 Density= 3.389963 ETOT(band)= -1.596862 trlgG= -2.257419 logG= -0.655364 TDE= -4.405018 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.030700 tlogG= -0.627406 logG= -0.658106 Density= 3.410347 ETOT(band)= -1.582168 trlgG= -2.246710 logG= -0.658106 TDE= -4.408420 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.030888 tlogG= -0.619633 logG= -0.650521 Density= 3.419647 ETOT(band)= -1.568513 trlgG= -2.225558 logG= -0.650521 TDE= -4.402543 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030356 tlogG= -0.622824 logG= -0.653180 Density= 3.396265 ETOT(band)= -1.589998 trlgG= -2.248506 logG= -0.653180 TDE= -4.403499 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030992 tlogG= -0.619528 logG= -0.650520 Density= 3.417481 ETOT(band)= -1.570424 trlgG= -2.227710 logG= -0.650520 TDE= -4.402905 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.031976 tlogG= -0.615084 logG= -0.647060 Density= 3.440926 ETOT(band)= -1.548566 trlgG= -2.203911 logG= -0.647060 TDE= -4.401952 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.030858 tlogG= -0.629142 logG= -0.660000 Density= 3.412021 ETOT(band)= -1.582149 trlgG= -2.248870 logG= -0.660000 TDE= -4.410071 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.030736 tlogG= -0.619948 logG= -0.650684 Density= 3.412698 ETOT(band)= -1.574499 trlgG= -2.231557 logG= -0.650684 TDE= -4.402634 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.032795 tlogG= -0.611779 logG= -0.644574 Density= 3.446894 ETOT(band)= -1.541708 trlgG= -2.195367 logG= -0.644574 TDE= -4.400828 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.030803 tlogG= -0.624167 logG= -0.654970 Density= 3.410996 ETOT(band)= -1.579074 trlgG= -2.240378 logG= -0.654970 TDE= -4.405762 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.031654 tlogG= -0.613306 logG= -0.644961 Density= 3.431949 ETOT(band)= -1.554262 trlgG= -2.206897 logG= -0.644961 TDE= -4.399615 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.030443 tlogG= -0.622417 logG= -0.652860 Density= 3.399662 ETOT(band)= -1.586642 trlgG= -2.244763 logG= -0.652860 TDE= -4.402885 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.031115 tlogG= -0.626794 logG= -0.657909 Density= 3.413316 ETOT(band)= -1.579478 trlgG= -2.244340 logG= -0.657909 TDE= -4.408702 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.031010 tlogG= -0.624724 logG= -0.655734 Density= 3.410849 ETOT(band)= -1.579824 trlgG= -2.242191 logG= -0.655734 TDE= -4.406689 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.030640 tlogG= -0.620001 logG= -0.650641 Density= 3.410649 ETOT(band)= -1.575987 trlgG= -2.232419 logG= -0.650641 TDE= -4.401844 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.030700 tlogG= -0.622177 logG= -0.652876 Density= 3.403756 ETOT(band)= -1.583520 trlgG= -2.242287 logG= -0.652876 TDE= -4.403777 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1029.47433809345 eV TrLogG= -1457.59287037506 eV Ratio to renormalize= 1.001281318476 rho-rho_expected=-0.209867323247 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 2) Finished k-point number 3 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 29) Finished k-point number 30 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 19) Finished k-point number 20 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.804535379060944 0.804307829119075 0.804157527947357 0.804140269621741 0.804811886617221 0.804117563281475 0.804824109480208 0.804182009751915 0.804257960350261 0.804750013587002 0.804368827720861 0.804163554983755 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.031579 tlogG= -0.615461 logG= -0.647040 Density= 3.438065 ETOT(band)= -1.551024 trlgG= -2.205892 logG= -0.647040 TDE= -4.401587 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.030304 tlogG= -0.629452 logG= -0.659756 Density= 3.399932 ETOT(band)= -1.591860 trlgG= -2.257376 logG= -0.659756 TDE= -4.408826 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.031096 tlogG= -0.626640 logG= -0.657735 Density= 3.412912 ETOT(band)= -1.579825 trlgG= -2.244514 logG= -0.657735 TDE= -4.408716 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030766 tlogG= -0.624164 logG= -0.654930 Density= 3.409690 ETOT(band)= -1.580383 trlgG= -2.241664 logG= -0.654930 TDE= -4.406007 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030236 tlogG= -0.622831 logG= -0.653067 Density= 3.387915 ETOT(band)= -1.596920 trlgG= -2.255016 logG= -0.653067 TDE= -4.403218 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.031691 tlogG= -0.615305 logG= -0.646996 Density= 3.438651 ETOT(band)= -1.550441 trlgG= -2.205331 logG= -0.646996 TDE= -4.401554 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.031304 tlogG= -0.628282 logG= -0.659586 Density= 3.413717 ETOT(band)= -1.580455 trlgG= -2.247316 logG= -0.659586 TDE= -4.410333 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.030785 tlogG= -0.618610 logG= -0.649395 Density= 3.415824 ETOT(band)= -1.570950 trlgG= -2.226655 logG= -0.649395 TDE= -4.401605 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030706 tlogG= -0.627152 logG= -0.657857 Density= 3.410374 ETOT(band)= -1.582025 trlgG= -2.246318 logG= -0.657857 TDE= -4.408300 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.030396 tlogG= -0.622336 logG= -0.652732 Density= 3.398520 ETOT(band)= -1.587784 trlgG= -2.245951 logG= -0.652732 TDE= -4.403256 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.031161 tlogG= -0.618087 logG= -0.649248 Density= 3.426189 ETOT(band)= -1.562334 trlgG= -2.218755 logG= -0.649248 TDE= -4.402422 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.030758 tlogG= -0.621745 logG= -0.652502 Density= 3.405826 ETOT(band)= -1.581472 trlgG= -2.239958 logG= -0.652502 TDE= -4.403534 logGD-logG0= -0.030704 tlogG= -0.621925 logG= -0.652629 Density= 3.403774 ETOT(band)= -1.583385 trlgG= -2.241903 logG= -0.652629 TDE= -4.403656 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.030545 tlogG= -0.621942 logG= -0.652486 Density= 3.403750 ETOT(band)= -1.583038 trlgG= -2.241118 logG= -0.652486 TDE= -4.402993 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030353 tlogG= -0.622380 logG= -0.652733 Density= 3.393643 ETOT(band)= -1.591598 trlgG= -2.249302 logG= -0.652733 TDE= -4.402574 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.030740 tlogG= -0.619696 logG= -0.650436 Density= 3.412690 ETOT(band)= -1.574385 trlgG= -2.231196 logG= -0.650436 TDE= -4.402514 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030743 tlogG= -0.627026 logG= -0.657769 Density= 3.411073 ETOT(band)= -1.581298 trlgG= -2.245508 logG= -0.657769 TDE= -4.408156 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.030807 tlogG= -0.623914 logG= -0.654722 Density= 3.411023 ETOT(band)= -1.578932 trlgG= -2.239988 logG= -0.654722 TDE= -4.405642 logGD-logG0= -0.030327 tlogG= -0.624552 logG= -0.654879 Density= 3.394559 ETOT(band)= -1.592532 trlgG= -2.252609 logG= -0.654879 TDE= -4.404492 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.030566 tlogG= -0.624255 logG= -0.654821 Density= 3.406003 ETOT(band)= -1.583116 trlgG= -2.243831 logG= -0.654821 TDE= -4.405235 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030235 tlogG= -0.624881 logG= -0.655116 Density= 3.390001 ETOT(band)= -1.596711 trlgG= -2.257020 logG= -0.655116 TDE= -4.404898 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.031147 tlogG= -0.618994 logG= -0.650141 Density= 3.424403 ETOT(band)= -1.564389 trlgG= -2.221425 logG= -0.650141 TDE= -4.402722 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030863 tlogG= -0.628886 logG= -0.659750 Density= 3.412043 ETOT(band)= -1.582009 trlgG= -2.248481 logG= -0.659750 TDE= -4.409950 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.030460 tlogG= -0.620087 logG= -0.650547 Density= 3.402641 ETOT(band)= -1.582723 trlgG= -2.238913 logG= -0.650547 TDE= -4.401812 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.030345 tlogG= -0.625391 logG= -0.655735 Density= 3.396863 ETOT(band)= -1.591406 trlgG= -2.252585 logG= -0.655735 TDE= -4.405517 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.031493 tlogG= -0.617558 logG= -0.649051 Density= 3.430150 ETOT(band)= -1.558899 trlgG= -2.215544 logG= -0.649051 TDE= -4.402684 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.031120 tlogG= -0.626540 logG= -0.657660 Density= 3.413334 ETOT(band)= -1.579342 trlgG= -2.243955 logG= -0.657660 TDE= -4.408581 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.031211 tlogG= -0.615901 logG= -0.647112 Density= 3.424007 ETOT(band)= -1.562475 trlgG= -2.216575 logG= -0.647112 TDE= -4.400575 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.030264 tlogG= -0.627623 logG= -0.657887 Density= 3.395084 ETOT(band)= -1.594529 trlgG= -2.257901 logG= -0.657887 TDE= -4.407210 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.031979 tlogG= -0.614833 logG= -0.646812 Density= 3.440936 ETOT(band)= -1.548437 trlgG= -2.203533 logG= -0.646812 TDE= -4.401830 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.030517 tlogG= -0.622303 logG= -0.652819 Density= 3.401690 ETOT(band)= -1.585294 trlgG= -2.243687 logG= -0.652819 TDE= -4.403526 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.032097 tlogG= -0.614691 logG= -0.646788 Density= 3.441484 ETOT(band)= -1.547909 trlgG= -2.203055 logG= -0.646788 TDE= -4.401828 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.030644 tlogG= -0.619751 logG= -0.650395 Density= 3.410665 ETOT(band)= -1.575855 trlgG= -2.232040 logG= -0.650395 TDE= -4.401724 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.030698 tlogG= -0.624940 logG= -0.655638 Density= 3.405205 ETOT(band)= -1.584478 trlgG= -2.246253 logG= -0.655638 TDE= -4.406181 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030950 tlogG= -0.621471 logG= -0.652421 Density= 3.406371 ETOT(band)= -1.581012 trlgG= -2.239646 logG= -0.652421 TDE= -4.403754 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.030892 tlogG= -0.619382 logG= -0.650274 Density= 3.419640 ETOT(band)= -1.568398 trlgG= -2.225196 logG= -0.650274 TDE= -4.402423 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.030447 tlogG= -0.622166 logG= -0.652613 Density= 3.399696 ETOT(band)= -1.586495 trlgG= -2.244369 logG= -0.652613 TDE= -4.402766 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.031091 tlogG= -0.616057 logG= -0.647148 Density= 3.423226 ETOT(band)= -1.563212 trlgG= -2.217284 logG= -0.647148 TDE= -4.400601 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.030474 tlogG= -0.622134 logG= -0.652609 Density= 3.402147 ETOT(band)= -1.584578 trlgG= -2.242692 logG= -0.652609 TDE= -4.403119 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.031015 tlogG= -0.624470 logG= -0.655485 Density= 3.410881 ETOT(band)= -1.579678 trlgG= -2.241796 logG= -0.655485 TDE= -4.406569 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.032298 tlogG= -0.612330 logG= -0.644628 Density= 3.444508 ETOT(band)= -1.543866 trlgG= -2.197081 logG= -0.644628 TDE= -4.400515 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030988 tlogG= -0.621314 logG= -0.652303 Density= 3.408871 ETOT(band)= -1.578753 trlgG= -2.237412 logG= -0.652303 TDE= -4.403706 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.030308 tlogG= -0.627483 logG= -0.657791 Density= 3.397283 ETOT(band)= -1.592546 trlgG= -2.255863 logG= -0.657791 TDE= -4.407086 logGD-logG0= -0.030996 tlogG= -0.619276 logG= -0.650272 Density= 3.417477 ETOT(band)= -1.570307 trlgG= -2.227345 logG= -0.650272 TDE= -4.402785 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.032798 tlogG= -0.611529 logG= -0.644327 Density= 3.446895 ETOT(band)= -1.541585 trlgG= -2.194995 logG= -0.644327 TDE= -4.400705 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.031658 tlogG= -0.613056 logG= -0.644714 Density= 3.431959 ETOT(band)= -1.554134 trlgG= -2.206522 logG= -0.644714 TDE= -4.399494 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.030486 tlogG= -0.624547 logG= -0.655032 Density= 3.403402 ETOT(band)= -1.585627 trlgG= -2.246534 logG= -0.655032 TDE= -4.405576 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030360 tlogG= -0.622573 logG= -0.652933 Density= 3.396304 ETOT(band)= -1.589846 trlgG= -2.248107 logG= -0.652933 TDE= -4.403379 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1029.38285271693 eV TrLogG= -1457.35251624226 eV Ratio to renormalize= 1.001274215802 rho-rho_expected=-0.208705455739 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 29) Finished k-point number 30 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 27) Finished k-point number 28 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 34) Finished k-point number 35 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.804568417404901 0.804335434657807 0.804182492974820 0.804170938286259 0.804842351446509 0.804149168300827 0.804857085888917 0.804212698464634 0.804289457294145 0.804783501816269 0.804389393804872 0.804183970647521 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.031091 tlogG= -0.626514 logG= -0.657604 Density= 3.412885 ETOT(band)= -1.579664 trlgG= -2.244220 logG= -0.657604 TDE= -4.408530 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.031572 tlogG= -0.615336 logG= -0.646908 Density= 3.437977 ETOT(band)= -1.550909 trlgG= -2.205640 logG= -0.646908 TDE= -4.401395 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=134 logGD-logG0= -0.030304 tlogG= -0.627357 logG= -0.657661 Density= 3.397192 ETOT(band)= -1.592439 trlgG= -2.255624 logG= -0.657661 TDE= -4.406902 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.031010 tlogG= -0.624345 logG= -0.655355 Density= 3.410828 ETOT(band)= -1.579537 trlgG= -2.241524 logG= -0.655355 TDE= -4.406384 logGD-logG0= -0.031299 tlogG= -0.628156 logG= -0.659455 Density= 3.413693 ETOT(band)= -1.580291 trlgG= -2.247019 logG= -0.659455 TDE= -4.410148 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.030356 tlogG= -0.622448 logG= -0.652804 Density= 3.396236 ETOT(band)= -1.589720 trlgG= -2.247853 logG= -0.652804 TDE= -4.403198 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.030233 tlogG= -0.622705 logG= -0.652938 Density= 3.387871 ETOT(band)= -1.596775 trlgG= -2.254744 logG= -0.652938 TDE= -4.403039 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.030470 tlogG= -0.622009 logG= -0.652479 Density= 3.402053 ETOT(band)= -1.584473 trlgG= -2.242455 logG= -0.652479 TDE= -4.402934 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030780 tlogG= -0.618485 logG= -0.649265 Density= 3.415714 ETOT(band)= -1.570857 trlgG= -2.226427 logG= -0.649265 TDE= -4.401416 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030392 tlogG= -0.622210 logG= -0.652603 Density= 3.398431 ETOT(band)= -1.587674 trlgG= -2.245711 logG= -0.652603 TDE= -4.403072 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.030321 tlogG= -0.624427 logG= -0.654748 Density= 3.394479 ETOT(band)= -1.592416 trlgG= -2.252362 logG= -0.654748 TDE= -4.404311 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030738 tlogG= -0.626900 logG= -0.657639 Density= 3.411033 ETOT(band)= -1.581147 trlgG= -2.245226 logG= -0.657639 TDE= -4.407971 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.030455 tlogG= -0.619962 logG= -0.650417 Density= 3.402518 ETOT(band)= -1.582642 trlgG= -2.238699 logG= -0.650417 TDE= -4.401624 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.030341 tlogG= -0.625265 logG= -0.655606 Density= 3.396793 ETOT(band)= -1.591281 trlgG= -2.252331 logG= -0.655606 TDE= -4.405335 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.030561 tlogG= -0.624130 logG= -0.654691 Density= 3.405931 ETOT(band)= -1.582992 trlgG= -2.243576 logG= -0.654691 TDE= -4.405050 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.030443 tlogG= -0.622041 logG= -0.652484 Density= 3.399618 ETOT(band)= -1.586377 trlgG= -2.244122 logG= -0.652484 TDE= -4.402584 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030512 tlogG= -0.622177 logG= -0.652690 Density= 3.401623 ETOT(band)= -1.585166 trlgG= -2.243429 logG= -0.652690 TDE= -4.403342 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.031114 tlogG= -0.626414 logG= -0.657529 Density= 3.413307 ETOT(band)= -1.579181 trlgG= -2.243661 logG= -0.657529 TDE= -4.408396 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.031684 tlogG= -0.615180 logG= -0.646864 Density= 3.438566 ETOT(band)= -1.550325 trlgG= -2.205077 logG= -0.646864 TDE= -4.401362 logGD-logG0= -0.032089 tlogG= -0.614567 logG= -0.646656 Density= 3.441410 ETOT(band)= -1.547782 trlgG= -2.202790 logG= -0.646656 TDE= -4.401636 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.031085 tlogG= -0.615933 logG= -0.647017 Density= 3.423101 ETOT(band)= -1.563130 trlgG= -2.217065 logG= -0.647017 TDE= -4.400410 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.030761 tlogG= -0.624039 logG= -0.654800 Density= 3.409640 ETOT(band)= -1.580240 trlgG= -2.241390 logG= -0.654800 TDE= -4.405822 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030300 tlogG= -0.629326 logG= -0.659626 Density= 3.399834 ETOT(band)= -1.591758 trlgG= -2.257143 logG= -0.659626 TDE= -4.408641 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.031971 tlogG= -0.614709 logG= -0.646679 Density= 3.440862 ETOT(band)= -1.548310 trlgG= -2.203269 logG= -0.646679 TDE= -4.401638 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.030735 tlogG= -0.619571 logG= -0.650306 Density= 3.412547 ETOT(band)= -1.574319 trlgG= -2.230993 logG= -0.650306 TDE= -4.402323 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030886 tlogG= -0.619257 logG= -0.650143 Density= 3.419501 ETOT(band)= -1.568328 trlgG= -2.224991 logG= -0.650143 TDE= -4.402233 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.030945 tlogG= -0.621346 logG= -0.652291 Density= 3.406287 ETOT(band)= -1.580898 trlgG= -2.239398 logG= -0.652291 TDE= -4.403567 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.030753 tlogG= -0.621620 logG= -0.652373 Density= 3.405739 ETOT(band)= -1.581360 trlgG= -2.239712 logG= -0.652373 TDE= -4.403346 logGD-logG0= -0.030540 tlogG= -0.621816 logG= -0.652357 Density= 3.403658 ETOT(band)= -1.582930 trlgG= -2.240878 logG= -0.652357 TDE= -4.402807 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030701 tlogG= -0.627026 logG= -0.657726 Density= 3.410332 ETOT(band)= -1.581876 trlgG= -2.246037 logG= -0.657726 TDE= -4.408115 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.030260 tlogG= -0.627498 logG= -0.657758 Density= 3.394998 ETOT(band)= -1.594417 trlgG= -2.257658 logG= -0.657758 TDE= -4.407026 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.031154 tlogG= -0.617962 logG= -0.649116 Density= 3.426058 ETOT(band)= -1.562255 trlgG= -2.218540 logG= -0.649116 TDE= -4.402230 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.030699 tlogG= -0.621800 logG= -0.652499 Density= 3.403703 ETOT(band)= -1.583261 trlgG= -2.241647 logG= -0.652499 TDE= -4.403471 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030802 tlogG= -0.623789 logG= -0.654591 Density= 3.410971 ETOT(band)= -1.578791 trlgG= -2.239716 logG= -0.654591 TDE= -4.405457 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.031486 tlogG= -0.617433 logG= -0.648919 Density= 3.430038 ETOT(band)= -1.558805 trlgG= -2.215313 logG= -0.648919 TDE= -4.402492 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.031651 tlogG= -0.612932 logG= -0.644583 Density= 3.431827 ETOT(band)= -1.554056 trlgG= -2.206308 logG= -0.644583 TDE= -4.399302 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030694 tlogG= -0.624814 logG= -0.655508 Density= 3.405143 ETOT(band)= -1.584346 trlgG= -2.245990 logG= -0.655508 TDE= -4.405996 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030858 tlogG= -0.628761 logG= -0.659619 Density= 3.412014 ETOT(band)= -1.581849 trlgG= -2.248189 logG= -0.659619 TDE= -4.409765 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.032789 tlogG= -0.611404 logG= -0.644193 Density= 3.446852 ETOT(band)= -1.541433 trlgG= -2.194706 logG= -0.644193 TDE= -4.400512 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.030349 tlogG= -0.622255 logG= -0.652604 Density= 3.393566 ETOT(band)= -1.591480 trlgG= -2.249055 logG= -0.652604 TDE= -4.402393 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.031141 tlogG= -0.618869 logG= -0.650010 Density= 3.424297 ETOT(band)= -1.564291 trlgG= -2.221191 logG= -0.650010 TDE= -4.402532 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.031204 tlogG= -0.615776 logG= -0.646981 Density= 3.423891 ETOT(band)= -1.562386 trlgG= -2.216349 logG= -0.646981 TDE= -4.400383 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.030983 tlogG= -0.621189 logG= -0.652172 Density= 3.408766 ETOT(band)= -1.578656 trlgG= -2.237180 logG= -0.652172 TDE= -4.403517 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.030232 tlogG= -0.624756 logG= -0.654987 Density= 3.389940 ETOT(band)= -1.596579 trlgG= -2.256760 logG= -0.654987 TDE= -4.404716 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.032289 tlogG= -0.612206 logG= -0.644495 Density= 3.444457 ETOT(band)= -1.543721 trlgG= -2.196798 logG= -0.644495 TDE= -4.400323 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030481 tlogG= -0.624421 logG= -0.654902 Density= 3.403332 ETOT(band)= -1.585502 trlgG= -2.246277 logG= -0.654902 TDE= -4.405391 logGD-logG0= -0.030639 tlogG= -0.619626 logG= -0.650265 Density= 3.410562 ETOT(band)= -1.575756 trlgG= -2.231807 logG= -0.650265 TDE= -4.401537 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030990 tlogG= -0.619151 logG= -0.650142 Density= 3.417350 ETOT(band)= -1.570226 trlgG= -2.227128 logG= -0.650142 TDE= -4.402594 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1029.30607303340 eV TrLogG= -1457.14532682873 eV Ratio to renormalize= 1.001297865650 rho-rho_expected=-0.212574074020 nargs= 1 argi=dmft2.def 31) Finished k-point number 32 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 33) Finished k-point number 34 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 12) Finished k-point number 13 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.804608943063488 0.804373078853643 0.804220403219321 0.804211773439177 0.804879776413230 0.804186947924127 0.804897613569130 0.804250454820207 0.804327399048864 0.804824024247957 0.804427074591639 0.804221859695798 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.030303 tlogG= -0.629240 logG= -0.659543 Density= 3.399829 ETOT(band)= -1.591602 trlgG= -2.256904 logG= -0.659543 TDE= -4.408481 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.030764 tlogG= -0.623953 logG= -0.654717 Density= 3.409636 ETOT(band)= -1.580084 trlgG= -2.241151 logG= -0.654717 TDE= -4.405663 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.031302 tlogG= -0.628070 logG= -0.659372 Density= 3.413684 ETOT(band)= -1.580137 trlgG= -2.246784 logG= -0.659372 TDE= -4.409988 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.030738 tlogG= -0.619486 logG= -0.650223 Density= 3.412548 ETOT(band)= -1.574158 trlgG= -2.230751 logG= -0.650223 TDE= -4.402164 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030343 tlogG= -0.625180 logG= -0.655523 Density= 3.396793 ETOT(band)= -1.591122 trlgG= -2.252088 logG= -0.655523 TDE= -4.405174 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.030307 tlogG= -0.627272 logG= -0.657579 Density= 3.397188 ETOT(band)= -1.592282 trlgG= -2.255385 logG= -0.657579 TDE= -4.406742 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.030564 tlogG= -0.624045 logG= -0.654609 Density= 3.405924 ETOT(band)= -1.582838 trlgG= -2.243340 logG= -0.654609 TDE= -4.404891 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030888 tlogG= -0.619172 logG= -0.650060 Density= 3.419492 ETOT(band)= -1.568175 trlgG= -2.224755 logG= -0.650060 TDE= -4.402073 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030756 tlogG= -0.621534 logG= -0.652290 Density= 3.405738 ETOT(band)= -1.581201 trlgG= -2.239471 logG= -0.652290 TDE= -4.403186 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.031088 tlogG= -0.615847 logG= -0.646934 Density= 3.423104 ETOT(band)= -1.562967 trlgG= -2.216821 logG= -0.646934 TDE= -4.400251 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.030948 tlogG= -0.621260 logG= -0.652208 Density= 3.406290 ETOT(band)= -1.580735 trlgG= -2.239153 logG= -0.652208 TDE= -4.403407 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.030458 tlogG= -0.619876 logG= -0.650335 Density= 3.402519 ETOT(band)= -1.582481 trlgG= -2.238455 logG= -0.650335 TDE= -4.401464 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.030861 tlogG= -0.628675 logG= -0.659536 Density= 3.412005 ETOT(band)= -1.581697 trlgG= -2.247954 logG= -0.659536 TDE= -4.409605 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.031575 tlogG= -0.615250 logG= -0.646824 Density= 3.437975 ETOT(band)= -1.550751 trlgG= -2.205400 logG= -0.646824 TDE= -4.401237 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.030515 tlogG= -0.622092 logG= -0.652607 Density= 3.401627 ETOT(band)= -1.585003 trlgG= -2.243183 logG= -0.652607 TDE= -4.403183 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030702 tlogG= -0.621714 logG= -0.652416 Density= 3.403704 ETOT(band)= -1.583100 trlgG= -2.241403 logG= -0.652416 TDE= -4.403311 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030395 tlogG= -0.622125 logG= -0.652520 Density= 3.398432 ETOT(band)= -1.587514 trlgG= -2.245467 logG= -0.652520 TDE= -4.402912 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.031093 tlogG= -0.626428 logG= -0.657522 Density= 3.412877 ETOT(band)= -1.579510 trlgG= -2.243984 logG= -0.657522 TDE= -4.408370 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030236 tlogG= -0.622620 logG= -0.652856 Density= 3.387879 ETOT(band)= -1.596609 trlgG= -2.254495 logG= -0.652856 TDE= -4.402879 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.030484 tlogG= -0.624336 logG= -0.654820 Density= 3.403331 ETOT(band)= -1.585342 trlgG= -2.246036 logG= -0.654820 TDE= -4.405231 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030473 tlogG= -0.621924 logG= -0.652397 Density= 3.402047 ETOT(band)= -1.584317 trlgG= -2.242216 logG= -0.652397 TDE= -4.402774 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030352 tlogG= -0.622170 logG= -0.652522 logGD-logG0= -0.030783 tlogG= -0.618400 logG= -0.649182 Density= 3.393563 ETOT(band)= -1.591324 trlgG= -2.248816 logG= -0.652522 TDE= -4.402233 Density= 3.415713 ETOT(band)= -1.570698 trlgG= -2.226186 logG= -0.649182 TDE= -4.401257 logGD-logG0= -0.031157 tlogG= -0.617876 logG= -0.649033 Density= 3.426057 ETOT(band)= -1.562096 trlgG= -2.218299 logG= -0.649033 TDE= -4.402071 logGD-logG0= -0.031974 tlogG= -0.614622 logG= -0.646596 Density= 3.440857 ETOT(band)= -1.548154 trlgG= -2.203031 logG= -0.646596 TDE= -4.401479 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.031013 tlogG= -0.624259 logG= -0.655272 Density= 3.410822 ETOT(band)= -1.579382 trlgG= -2.241286 logG= -0.655272 TDE= -4.406224 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.030324 tlogG= -0.624342 logG= -0.654665 Density= 3.394476 ETOT(band)= -1.592259 trlgG= -2.252122 logG= -0.654665 TDE= -4.404151 logGD-logG0= -0.031687 tlogG= -0.615094 logG= -0.646781 Density= 3.438563 ETOT(band)= -1.550167 trlgG= -2.204838 logG= -0.646781 TDE= -4.401204 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.031654 tlogG= -0.612846 logG= -0.644499 Density= 3.431832 ETOT(band)= -1.553891 trlgG= -2.206061 logG= -0.644499 TDE= -4.399144 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030741 tlogG= -0.626815 logG= -0.657556 Density= 3.411024 ETOT(band)= -1.580995 trlgG= -2.244991 logG= -0.657556 TDE= -4.407811 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.030696 tlogG= -0.624729 logG= -0.655425 Density= 3.405138 ETOT(band)= -1.584190 trlgG= -2.245751 logG= -0.655425 TDE= -4.405836 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030805 tlogG= -0.623703 logG= -0.654509 Density= 3.410963 ETOT(band)= -1.578637 trlgG= -2.239480 logG= -0.654509 TDE= -4.405297 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.031117 tlogG= -0.626329 logG= -0.657446 Density= 3.413298 ETOT(band)= -1.579027 trlgG= -2.243426 logG= -0.657446 TDE= -4.408236 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.030446 tlogG= -0.621956 logG= -0.652402 Density= 3.399616 ETOT(band)= -1.586219 trlgG= -2.243882 logG= -0.652402 TDE= -4.402424 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.031489 tlogG= -0.617347 logG= -0.648836 Density= 3.430038 ETOT(band)= -1.558644 trlgG= -2.215071 logG= -0.648836 TDE= -4.402333 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.030641 tlogG= -0.619541 logG= -0.650182 Density= 3.410553 ETOT(band)= -1.575604 trlgG= -2.231573 logG= -0.650182 TDE= -4.401377 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.030703 tlogG= -0.626940 logG= -0.657644 logGD-logG0= -0.031207 tlogG= -0.615690 logG= -0.646898 Density= 3.423892 ETOT(band)= -1.562225 trlgG= -2.216106 logG= -0.646898 TDE= -4.400225 Density= 3.410324 ETOT(band)= -1.581722 trlgG= -2.245801 logG= -0.657644 TDE= -4.407955 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030235 tlogG= -0.624670 logG= -0.654905 Density= 3.389947 ETOT(band)= -1.596414 trlgG= -2.256512 logG= -0.654905 TDE= -4.404556 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.032792 tlogG= -0.611317 logG= -0.644110 Density= 3.446843 ETOT(band)= -1.541280 trlgG= -2.194470 logG= -0.644110 TDE= -4.400354 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.031143 tlogG= -0.618783 logG= -0.649927 Density= 3.424291 ETOT(band)= -1.564136 trlgG= -2.220954 logG= -0.649927 TDE= -4.402373 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030543 tlogG= -0.621731 logG= -0.652274 Density= 3.403657 ETOT(band)= -1.582772 trlgG= -2.240637 logG= -0.652274 TDE= -4.402648 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.032292 tlogG= -0.612119 logG= -0.644412 Density= 3.444450 ETOT(band)= -1.543567 trlgG= -2.196562 logG= -0.644412 TDE= -4.400164 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.030986 tlogG= -0.621103 logG= -0.652089 Density= 3.408767 ETOT(band)= -1.578495 trlgG= -2.236937 logG= -0.652089 TDE= -4.403357 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.030359 tlogG= -0.622362 logG= -0.652721 Density= 3.396242 ETOT(band)= -1.589556 trlgG= -2.247605 logG= -0.652721 TDE= -4.403038 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.032092 tlogG= -0.614480 logG= -0.646572 Density= 3.441406 ETOT(band)= -1.547625 trlgG= -2.202552 logG= -0.646572 TDE= -4.401477 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.030993 tlogG= -0.619066 logG= -0.650059 Density= 3.417353 ETOT(band)= -1.570064 trlgG= -2.226884 logG= -0.650059 TDE= -4.402435 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.030263 tlogG= -0.627412 logG= -0.657675 Density= 3.394999 ETOT(band)= -1.594256 trlgG= -2.257414 logG= -0.657675 TDE= -4.406866 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1029.20288052604 eV TrLogG= -1456.98693567578 eV Ratio to renormalize= 1.001298619872 rho-rho_expected=-0.212697445890 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 44) Finished k-point number 45 1 with #bands= 107 15) Finished k-point number 16 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 11) Finished k-point number 12 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.804604038667034 0.804368389131616 0.804215736764716 0.804206820469421 0.804875102532220 0.804182295547623 0.804892715535481 0.804245747573347 0.804322721257535 0.804819132807401 0.804422379911740 0.804217191912047 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.034150 tlogG= -0.627756 logG= -0.661906 Density= 3.413519 ETOT(band)= -1.579155 trlgG= -2.249393 logG= -0.661906 TDE= -4.409926 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.033868 tlogG= -0.623641 logG= -0.657509 Density= 3.409296 ETOT(band)= -1.579468 trlgG= -2.244163 logG= -0.657509 TDE= -4.405601 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.034769 tlogG= -0.614196 logG= -0.648965 Density= 3.427984 ETOT(band)= -1.557297 trlgG= -2.215978 logG= -0.648965 TDE= -4.401413 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.033642 tlogG= -0.624865 logG= -0.658507 Density= 3.403646 ETOT(band)= -1.584789 trlgG= -2.249345 logG= -0.658507 TDE= -4.405114 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033825 tlogG= -0.621426 logG= -0.655251 Density= 3.407564 ETOT(band)= -1.578847 trlgG= -2.240321 logG= -0.655251 TDE= -4.402585 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.034090 tlogG= -0.620801 logG= -0.654891 Density= 3.411496 ETOT(band)= -1.575398 trlgG= -2.237419 logG= -0.654891 TDE= -4.403294 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.033766 tlogG= -0.619571 logG= -0.653337 Density= 3.406206 ETOT(band)= -1.578775 trlgG= -2.238346 logG= -0.653337 TDE= -4.401402 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033786 tlogG= -0.621616 logG= -0.655402 Density= 3.406589 ETOT(band)= -1.579905 trlgG= -2.241404 logG= -0.655402 TDE= -4.402712 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.033795 tlogG= -0.623734 logG= -0.657529 Density= 3.407754 ETOT(band)= -1.580558 trlgG= -2.244685 logG= -0.657529 TDE= -4.404829 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.033665 tlogG= -0.622050 logG= -0.655715 Density= 3.403566 ETOT(band)= -1.582859 trlgG= -2.244483 logG= -0.655715 TDE= -4.402977 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.034054 tlogG= -0.626017 logG= -0.660070 Density= 3.412787 ETOT(band)= -1.578394 trlgG= -2.246410 logG= -0.660070 TDE= -4.408174 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.033703 tlogG= -0.621815 logG= -0.655518 Density= 3.404608 ETOT(band)= -1.581756 trlgG= -2.243297 logG= -0.655518 TDE= -4.402850 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033765 tlogG= -0.621781 logG= -0.655546 Density= 3.406048 ETOT(band)= -1.580639 trlgG= -2.242405 logG= -0.655546 TDE= -4.403121 logGD-logG0= -0.033980 tlogG= -0.618099 logG= -0.652079 Density= 3.412219 ETOT(band)= -1.572733 trlgG= -2.231908 logG= -0.652079 TDE= -4.401194 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.034051 tlogG= -0.618872 logG= -0.652923 Density= 3.413708 ETOT(band)= -1.572059 trlgG= -2.232337 logG= -0.652923 TDE= -4.402010 logGD-logG0= -0.033943 tlogG= -0.621229 logG= -0.655172 Density= 3.409654 ETOT(band)= -1.577187 trlgG= -2.239052 logG= -0.655172 TDE= -4.403124 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.034426 tlogG= -0.614959 logG= -0.649385 Density= 3.423404 ETOT(band)= -1.561491 trlgG= -2.219944 logG= -0.649385 TDE= -4.401172 logGD-logG0= -0.033926 tlogG= -0.619182 logG= -0.653108 Density= 3.410506 ETOT(band)= -1.575026 trlgG= -2.235260 logG= -0.653108 TDE= -4.402100 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.033611 tlogG= -0.626954 logG= -0.660566 Density= 3.403564 ETOT(band)= -1.586363 trlgG= -2.253038 logG= -0.660566 TDE= -4.406681 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.034193 tlogG= -0.617579 logG= -0.651773 Density= 3.416795 ETOT(band)= -1.568702 trlgG= -2.228632 logG= -0.651773 TDE= -4.402007 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.033572 tlogG= -0.628920 logG= -0.662493 Density= 3.403810 ETOT(band)= -1.587618 trlgG= -2.256500 logG= -0.662493 TDE= -4.408419 logGD-logG0= -0.033705 tlogG= -0.624022 logG= -0.657726 Density= 3.405928 ETOT(band)= -1.582433 trlgG= -2.246733 logG= -0.657726 TDE= -4.405170 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=128 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033576 tlogG= -0.622307 logG= -0.655883 Density= 3.400509 ETOT(band)= -1.585566 trlgG= -2.247021 logG= -0.655883 TDE= -4.402819 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.034030 tlogG= -0.626115 logG= -0.660145 Density= 3.412296 ETOT(band)= -1.578937 trlgG= -2.247025 logG= -0.660145 TDE= -4.408309 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.033923 tlogG= -0.619239 logG= -0.653162 Density= 3.410278 ETOT(band)= -1.575098 trlgG= -2.234717 logG= -0.653162 TDE= -4.401315 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.033680 tlogG= -0.624029 logG= -0.657709 Density= 3.403690 ETOT(band)= -1.584052 trlgG= -2.247487 logG= -0.657709 TDE= -4.404090 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.034682 tlogG= -0.614335 logG= -0.649017 Density= 3.426594 ETOT(band)= -1.558529 trlgG= -2.217181 logG= -0.649017 TDE= -4.401414 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.034512 tlogG= -0.614806 logG= -0.649318 Density= 3.424765 ETOT(band)= -1.560261 trlgG= -2.218720 logG= -0.649318 TDE= -4.401139 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.033558 tlogG= -0.627094 logG= -0.660652 Density= 3.402419 ETOT(band)= -1.587473 trlgG= -2.254195 logG= -0.660652 TDE= -4.406804 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.033784 tlogG= -0.621649 logG= -0.655433 Density= 3.406036 ETOT(band)= -1.580286 trlgG= -2.241544 logG= -0.655433 TDE= -4.402363 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.033830 tlogG= -0.626500 logG= -0.660330 Density= 3.409879 ETOT(band)= -1.581005 trlgG= -2.248649 logG= -0.660330 TDE= -4.407749 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.035227 tlogG= -0.611043 logG= -0.646270 Density= 3.433732 ETOT(band)= -1.550494 trlgG= -2.207407 logG= -0.646270 TDE= -4.400289 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.033792 tlogG= -0.626624 logG= -0.660416 Density= 3.409155 ETOT(band)= -1.581755 trlgG= -2.249478 logG= -0.660416 TDE= -4.407893 logGD-logG0= -0.034161 tlogG= -0.615552 logG= -0.649713 Density= 3.416680 ETOT(band)= -1.567281 trlgG= -2.224847 logG= -0.649713 TDE= -4.400187 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.034184 tlogG= -0.618487 logG= -0.652671 Density= 3.416745 ETOT(band)= -1.569336 trlgG= -2.229873 logG= -0.652671 TDE= -4.402309 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.033917 tlogG= -0.623395 logG= -0.657312 Density= 3.410500 ETOT(band)= -1.578116 trlgG= -2.242605 logG= -0.657312 TDE= -4.405236 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.033866 tlogG= -0.628358 logG= -0.662224 Density= 3.410950 ETOT(band)= -1.581562 trlgG= -2.251453 logG= -0.662224 TDE= -4.409544 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.033882 tlogG= -0.621407 logG= -0.655289 Density= 3.408377 ETOT(band)= -1.578455 trlgG= -2.240351 logG= -0.655289 TDE= -4.403249 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.034256 tlogG= -0.615398 logG= -0.649654 Density= 3.418241 ETOT(band)= -1.565894 trlgG= -2.223471 logG= -0.649654 TDE= -4.400160 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.033746 tlogG= -0.621862 logG= -0.655608 Density= 3.404239 ETOT(band)= -1.581947 trlgG= -2.243013 logG= -0.655608 TDE= -4.402172 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.034401 tlogG= -0.617054 logG= -0.651455 Density= 3.419710 ETOT(band)= -1.566008 trlgG= -2.226165 logG= -0.651455 TDE= -4.402269 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.034036 tlogG= -0.623950 logG= -0.657986 Density= 3.410955 ETOT(band)= -1.578313 trlgG= -2.243829 logG= -0.657986 TDE= -4.406162 logGD-logG0= -0.034535 tlogG= -0.612561 logG= -0.647097 Density= 3.422628 ETOT(band)= -1.560322 trlgG= -2.216205 logG= -0.647097 TDE= -4.399079 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034082 tlogG= -0.618764 logG= -0.652846 Density= 3.413137 ETOT(band)= -1.572609 trlgG= -2.233093 logG= -0.652846 TDE= -4.402371 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.034050 tlogG= -0.620955 logG= -0.655005 Density= 3.410278 ETOT(band)= -1.576603 trlgG= -2.238590 logG= -0.655005 TDE= -4.403344 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.033841 tlogG= -0.624416 logG= -0.658258 Density= 3.408203 ETOT(band)= -1.580830 trlgG= -2.245988 logG= -0.658258 TDE= -4.405774 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.034890 tlogG= -0.611840 logG= -0.646729 Density= 3.430632 ETOT(band)= -1.553482 trlgG= -2.210240 logG= -0.646729 TDE= -4.400100 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033558 tlogG= -0.624355 logG= -0.657913 Density= 3.401000 ETOT(band)= -1.586662 trlgG= -2.250320 logG= -0.657913 TDE= -4.404496 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 Sum of eigenvalues= -1028.89408731735 eV TrLogG= -1458.77458695501 eV Ratio to renormalize= 1.001451611700 rho-rho_expected=-0.237719242840 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 8) Finished k-point number 9 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 33) Finished k-point number 34 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 1) Finished k-point number 2 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.804599151783021 0.804365783523691 0.804213357886532 0.804201861762249 0.804872524914995 0.804179888925478 0.804887860322980 0.804243080243257 0.804320302437259 0.804814253785566 0.804419769345402 0.804214809555969 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.033786 tlogG= -0.621614 logG= -0.655399 Density= 3.406598 ETOT(band)= -1.579922 trlgG= -2.241420 logG= -0.655399 TDE= -4.402738 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.034194 tlogG= -0.617577 logG= -0.651771 Density= 3.416808 ETOT(band)= -1.568716 trlgG= -2.228646 logG= -0.651771 TDE= -4.402034 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.035228 tlogG= -0.611040 logG= -0.646268 Density= 3.433743 ETOT(band)= -1.550511 trlgG= -2.207422 logG= -0.646268 TDE= -4.400315 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.034051 tlogG= -0.618870 logG= -0.652921 Density= 3.413721 ETOT(band)= -1.572074 trlgG= -2.232351 logG= -0.652921 TDE= -4.402036 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.033765 tlogG= -0.621779 logG= -0.655544 Density= 3.406055 ETOT(band)= -1.580659 trlgG= -2.242423 logG= -0.655544 TDE= -4.403147 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.034054 tlogG= -0.626014 logG= -0.660068 Density= 3.412796 ETOT(band)= -1.578413 trlgG= -2.246427 logG= -0.660068 TDE= -4.408200 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.033980 tlogG= -0.618097 logG= -0.652077 Density= 3.412231 ETOT(band)= -1.572749 trlgG= -2.231923 logG= -0.652077 TDE= -4.401220 logGD-logG0= -0.033868 tlogG= -0.623639 logG= -0.657507 Density= 3.409304 ETOT(band)= -1.579487 trlgG= -2.244180 logG= -0.657507 TDE= -4.405627 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034682 tlogG= -0.614333 logG= -0.649015 Density= 3.426607 ETOT(band)= -1.558544 trlgG= -2.217195 logG= -0.649015 TDE= -4.401441 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.033830 tlogG= -0.626497 logG= -0.660327 Density= 3.409888 ETOT(band)= -1.581023 trlgG= -2.248665 logG= -0.660327 TDE= -4.407775 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.034536 tlogG= -0.612559 logG= -0.647095 Density= 3.422640 ETOT(band)= -1.560337 trlgG= -2.216219 logG= -0.647095 TDE= -4.399106 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.034426 tlogG= -0.614956 logG= -0.649383 Density= 3.423418 ETOT(band)= -1.561505 trlgG= -2.219957 logG= -0.649383 TDE= -4.401199 logGD-logG0= -0.033767 tlogG= -0.619568 logG= -0.653335 Density= 3.406215 ETOT(band)= -1.578793 trlgG= -2.238363 logG= -0.653335 TDE= -4.401428 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.033703 tlogG= -0.621813 logG= -0.655516 Density= 3.404616 ETOT(band)= -1.581774 trlgG= -2.243314 logG= -0.655516 TDE= -4.402876 logGD-logG0= -0.033917 tlogG= -0.623392 logG= -0.657310 Density= 3.410509 ETOT(band)= -1.578134 trlgG= -2.242621 logG= -0.657310 TDE= -4.405261 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033795 tlogG= -0.623731 logG= -0.657527 Density= 3.407763 ETOT(band)= -1.580576 trlgG= -2.244701 logG= -0.657527 TDE= -4.404855 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.034090 tlogG= -0.620798 logG= -0.654889 Density= 3.411505 ETOT(band)= -1.575416 trlgG= -2.237435 logG= -0.654889 TDE= -4.403320 logGD-logG0= -0.033573 tlogG= -0.628918 logG= -0.662491 Density= 3.403818 ETOT(band)= -1.587636 trlgG= -2.256517 logG= -0.662491 TDE= -4.408445 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=128 logGD-logG0= -0.034162 tlogG= -0.615550 logG= -0.649711 Density= 3.416693 ETOT(band)= -1.567296 trlgG= -2.224861 logG= -0.649711 TDE= -4.400213 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.034151 tlogG= -0.627754 logG= -0.661904 Density= 3.413527 ETOT(band)= -1.579174 trlgG= -2.249410 logG= -0.661904 TDE= -4.409952 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.033883 tlogG= -0.621404 logG= -0.655287 Density= 3.408385 ETOT(band)= -1.578474 trlgG= -2.240368 logG= -0.655287 TDE= -4.403275 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.033612 tlogG= -0.626952 logG= -0.660564 Density= 3.403572 ETOT(band)= -1.586381 trlgG= -2.253055 logG= -0.660564 TDE= -4.406706 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033642 tlogG= -0.624863 logG= -0.658505 Density= 3.403654 ETOT(band)= -1.584808 trlgG= -2.249362 logG= -0.658505 TDE= -4.405139 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.033944 tlogG= -0.621226 logG= -0.655170 Density= 3.409663 ETOT(band)= -1.577204 trlgG= -2.239069 logG= -0.655170 TDE= -4.403150 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.034257 tlogG= -0.615396 logG= -0.649652 Density= 3.418253 ETOT(band)= -1.565909 trlgG= -2.223485 logG= -0.649652 TDE= -4.400187 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.034030 tlogG= -0.626113 logG= -0.660143 Density= 3.412304 ETOT(band)= -1.578955 trlgG= -2.247043 logG= -0.660143 TDE= -4.408335 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.033680 tlogG= -0.624026 logG= -0.657707 Density= 3.403698 ETOT(band)= -1.584071 trlgG= -2.247503 logG= -0.657707 TDE= -4.404115 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.033665 tlogG= -0.622048 logG= -0.655713 Density= 3.403572 ETOT(band)= -1.582879 trlgG= -2.244501 logG= -0.655713 TDE= -4.403002 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.033576 tlogG= -0.622305 logG= -0.655881 Density= 3.400513 ETOT(band)= -1.585587 trlgG= -2.247040 logG= -0.655881 TDE= -4.402844 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.033705 tlogG= -0.624019 logG= -0.657724 Density= 3.405936 ETOT(band)= -1.582452 trlgG= -2.246750 logG= -0.657724 TDE= -4.405195 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033825 tlogG= -0.621424 logG= -0.655249 Density= 3.407573 ETOT(band)= -1.578864 trlgG= -2.240337 logG= -0.655249 TDE= -4.402611 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.034770 tlogG= -0.614193 logG= -0.648963 Density= 3.427997 ETOT(band)= -1.557312 trlgG= -2.215992 logG= -0.648963 TDE= -4.401439 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.034050 tlogG= -0.620953 logG= -0.655003 Density= 3.410286 ETOT(band)= -1.576621 trlgG= -2.238607 logG= -0.655003 TDE= -4.403370 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.033792 tlogG= -0.626622 logG= -0.660414 Density= 3.409164 ETOT(band)= -1.581773 trlgG= -2.249495 logG= -0.660414 TDE= -4.407919 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.033924 tlogG= -0.619236 logG= -0.653160 Density= 3.410290 ETOT(band)= -1.575114 trlgG= -2.234732 logG= -0.653160 TDE= -4.401341 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.033784 tlogG= -0.621646 logG= -0.655430 Density= 3.406045 ETOT(band)= -1.580304 trlgG= -2.241560 logG= -0.655430 TDE= -4.402388 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.033558 tlogG= -0.627091 logG= -0.660650 Density= 3.402426 ETOT(band)= -1.587492 trlgG= -2.254213 logG= -0.660650 TDE= -4.406830 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.034037 tlogG= -0.623947 logG= -0.657984 Density= 3.410963 ETOT(band)= -1.578331 trlgG= -2.243846 logG= -0.657984 TDE= -4.406188 logGD-logG0= -0.033867 tlogG= -0.628355 logG= -0.662222 Density= 3.410959 ETOT(band)= -1.581580 trlgG= -2.251469 logG= -0.662222 TDE= -4.409570 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.033842 tlogG= -0.624414 logG= -0.658255 Density= 3.408211 ETOT(band)= -1.580849 trlgG= -2.246005 logG= -0.658255 TDE= -4.405800 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.034402 tlogG= -0.617051 logG= -0.651453 Density= 3.419723 ETOT(band)= -1.566023 trlgG= -2.226179 logG= -0.651453 TDE= -4.402295 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.034082 tlogG= -0.618761 logG= -0.652843 Density= 3.413148 ETOT(band)= -1.572625 trlgG= -2.233109 logG= -0.652843 TDE= -4.402397 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.034890 tlogG= -0.611837 logG= -0.646727 Density= 3.430644 ETOT(band)= -1.553498 trlgG= -2.210254 logG= -0.646727 TDE= -4.400126 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.033746 tlogG= -0.621859 logG= -0.655605 Density= 3.404247 ETOT(band)= -1.581965 trlgG= -2.243030 logG= -0.655605 TDE= -4.402198 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.034513 tlogG= -0.614803 logG= -0.649316 Density= 3.424779 ETOT(band)= -1.560275 trlgG= -2.218732 logG= -0.649316 TDE= -4.401166 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.033558 tlogG= -0.624352 logG= -0.657910 Density= 3.401005 ETOT(band)= -1.586683 trlgG= -2.250339 logG= -0.657910 TDE= -4.404521 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.033926 tlogG= -0.619179 logG= -0.653106 Density= 3.410516 ETOT(band)= -1.575043 trlgG= -2.235276 logG= -0.653106 TDE= -4.402127 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.034185 tlogG= -0.618484 logG= -0.652669 Density= 3.416758 ETOT(band)= -1.569350 trlgG= -2.229887 logG= -0.652669 TDE= -4.402335 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 Sum of eigenvalues= -1028.90543728983 eV TrLogG= -1458.79019586871 eV Ratio to renormalize= 1.001448822069 rho-rho_expected=-0.237263067354 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 42) Finished k-point number 43 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 7) Finished k-point number 8 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 44) Finished k-point number 45 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.804604933619965 0.804367813370709 0.804214793614698 0.804207731053521 0.804874500143608 0.804181377174093 0.804893592542345 0.804245181844425 0.804321779255770 0.804820031553815 0.804421789063221 0.804216250388720 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.033943 tlogG= -0.621230 logG= -0.655173 Density= 3.409650 ETOT(band)= -1.577188 trlgG= -2.239054 logG= -0.655173 TDE= -4.403121 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.033611 tlogG= -0.626955 logG= -0.660566 Density= 3.403561 ETOT(band)= -1.586363 trlgG= -2.253039 logG= -0.660566 TDE= -4.406678 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.033703 tlogG= -0.621816 logG= -0.655519 Density= 3.404604 ETOT(band)= -1.581757 trlgG= -2.243299 logG= -0.655519 TDE= -4.402848 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033572 tlogG= -0.628921 logG= -0.662493 Density= 3.403806 ETOT(band)= -1.587618 trlgG= -2.256501 logG= -0.662493 TDE= -4.408417 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=128 logGD-logG0= -0.034150 tlogG= -0.627757 logG= -0.661907 Density= 3.413517 ETOT(band)= -1.579154 trlgG= -2.249393 logG= -0.661907 TDE= -4.409924 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.033576 tlogG= -0.622308 logG= -0.655884 Density= 3.400506 ETOT(band)= -1.585566 trlgG= -2.247021 logG= -0.655884 TDE= -4.402817 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.033680 tlogG= -0.624030 logG= -0.657709 Density= 3.403687 ETOT(band)= -1.584053 trlgG= -2.247488 logG= -0.657709 TDE= -4.404088 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.033794 tlogG= -0.623735 logG= -0.657529 Density= 3.407750 ETOT(band)= -1.580559 trlgG= -2.244687 logG= -0.657529 TDE= -4.404827 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.033867 tlogG= -0.623642 logG= -0.657510 Density= 3.409293 ETOT(band)= -1.579469 trlgG= -2.244164 logG= -0.657510 TDE= -4.405599 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033642 tlogG= -0.624866 logG= -0.658508 Density= 3.403643 ETOT(band)= -1.584789 trlgG= -2.249346 logG= -0.658508 TDE= -4.405112 logGD-logG0= -0.034193 tlogG= -0.617581 logG= -0.651773 Density= 3.416789 ETOT(band)= -1.568705 trlgG= -2.228635 logG= -0.651773 TDE= -4.402004 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033979 tlogG= -0.618100 logG= -0.652080 Density= 3.412214 ETOT(band)= -1.572736 trlgG= -2.231911 logG= -0.652080 TDE= -4.401191 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.033841 tlogG= -0.624417 logG= -0.658258 Density= 3.408200 ETOT(band)= -1.580831 trlgG= -2.245989 logG= -0.658258 TDE= -4.405772 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.034161 tlogG= -0.615554 logG= -0.649714 Density= 3.416675 ETOT(band)= -1.567284 trlgG= -2.224850 logG= -0.649714 TDE= -4.400184 logGD-logG0= -0.033785 tlogG= -0.621617 logG= -0.655402 Density= 3.406585 ETOT(band)= -1.579906 trlgG= -2.241406 logG= -0.655402 TDE= -4.402710 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.033791 tlogG= -0.626625 logG= -0.660417 Density= 3.409152 ETOT(band)= -1.581756 trlgG= -2.249479 logG= -0.660417 TDE= -4.407891 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.034081 tlogG= -0.618765 logG= -0.652846 Density= 3.413132 ETOT(band)= -1.572611 trlgG= -2.233095 logG= -0.652846 TDE= -4.402368 logGD-logG0= -0.034535 tlogG= -0.612563 logG= -0.647097 Density= 3.422622 ETOT(band)= -1.560325 trlgG= -2.216208 logG= -0.647097 TDE= -4.399077 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033926 tlogG= -0.619183 logG= -0.653109 Density= 3.410501 ETOT(band)= -1.575028 trlgG= -2.235262 logG= -0.653109 TDE= -4.402098 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.033866 tlogG= -0.628359 logG= -0.662225 Density= 3.410947 ETOT(band)= -1.581562 trlgG= -2.251453 logG= -0.662225 TDE= -4.409541 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.033765 tlogG= -0.621782 logG= -0.655547 Density= 3.406045 ETOT(band)= -1.580640 trlgG= -2.242406 logG= -0.655547 TDE= -4.403119 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.034053 tlogG= -0.626018 logG= -0.660071 Density= 3.412785 ETOT(band)= -1.578394 trlgG= -2.246411 logG= -0.660071 TDE= -4.408172 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.034049 tlogG= -0.620957 logG= -0.655006 Density= 3.410274 ETOT(band)= -1.576604 trlgG= -2.238591 logG= -0.655006 TDE= -4.403342 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.034090 tlogG= -0.620802 logG= -0.654892 Density= 3.411492 ETOT(band)= -1.575400 trlgG= -2.237420 logG= -0.654892 TDE= -4.403292 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.034681 tlogG= -0.614336 logG= -0.649017 Density= 3.426588 ETOT(band)= -1.558532 trlgG= -2.217183 logG= -0.649017 TDE= -4.401412 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.033783 tlogG= -0.621650 logG= -0.655433 Density= 3.406033 ETOT(band)= -1.580287 trlgG= -2.241545 logG= -0.655433 TDE= -4.402361 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.034425 tlogG= -0.614960 logG= -0.649386 Density= 3.423398 ETOT(band)= -1.561495 trlgG= -2.219948 logG= -0.649386 TDE= -4.401170 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033882 tlogG= -0.621408 logG= -0.655290 Density= 3.408373 ETOT(band)= -1.578456 trlgG= -2.240352 logG= -0.655290 TDE= -4.403247 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.033704 tlogG= -0.624023 logG= -0.657727 Density= 3.405925 ETOT(band)= -1.582434 trlgG= -2.246734 logG= -0.657727 TDE= -4.405167 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034029 tlogG= -0.626116 logG= -0.660146 Density= 3.412294 ETOT(band)= -1.578937 trlgG= -2.247026 logG= -0.660146 TDE= -4.408307 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.033923 tlogG= -0.619240 logG= -0.653163 Density= 3.410274 ETOT(band)= -1.575100 trlgG= -2.234719 logG= -0.653163 TDE= -4.401313 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.033558 tlogG= -0.624356 logG= -0.657913 Density= 3.400997 ETOT(band)= -1.586663 trlgG= -2.250321 logG= -0.657913 TDE= -4.404494 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.033766 tlogG= -0.619572 logG= -0.653337 Density= 3.406202 ETOT(band)= -1.578777 trlgG= -2.238348 logG= -0.653337 TDE= -4.401399 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033829 tlogG= -0.626501 logG= -0.660330 Density= 3.409876 ETOT(band)= -1.581006 trlgG= -2.248650 logG= -0.660330 TDE= -4.407747 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.033746 tlogG= -0.621863 logG= -0.655608 Density= 3.404237 ETOT(band)= -1.581947 trlgG= -2.243015 logG= -0.655608 TDE= -4.402171 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.034889 tlogG= -0.611841 logG= -0.646730 Density= 3.430627 ETOT(band)= -1.553484 trlgG= -2.210242 logG= -0.646730 TDE= -4.400097 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034512 tlogG= -0.614807 logG= -0.649319 Density= 3.424758 ETOT(band)= -1.560264 trlgG= -2.218723 logG= -0.649319 TDE= -4.401137 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.033665 tlogG= -0.622051 logG= -0.655716 Density= 3.403563 ETOT(band)= -1.582860 trlgG= -2.244484 logG= -0.655716 TDE= -4.402975 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.034401 tlogG= -0.617055 logG= -0.651455 Density= 3.419704 ETOT(band)= -1.566011 trlgG= -2.226168 logG= -0.651455 TDE= -4.402266 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.034769 tlogG= -0.614197 logG= -0.648966 Density= 3.427979 ETOT(band)= -1.557300 trlgG= -2.215981 logG= -0.648966 TDE= -4.401410 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.033558 tlogG= -0.627095 logG= -0.660652 Density= 3.402416 ETOT(band)= -1.587473 trlgG= -2.254196 logG= -0.660652 TDE= -4.406802 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.034256 tlogG= -0.615399 logG= -0.649655 Density= 3.418236 ETOT(band)= -1.565896 trlgG= -2.223473 logG= -0.649655 TDE= -4.400158 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.035227 tlogG= -0.611044 logG= -0.646271 Density= 3.433727 ETOT(band)= -1.550496 trlgG= -2.207409 logG= -0.646271 TDE= -4.400286 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.034050 tlogG= -0.618873 logG= -0.652924 Density= 3.413702 ETOT(band)= -1.572062 trlgG= -2.232340 logG= -0.652924 TDE= -4.402007 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.034184 tlogG= -0.618488 logG= -0.652672 Density= 3.416739 ETOT(band)= -1.569339 trlgG= -2.229876 logG= -0.652672 TDE= -4.402306 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.033824 tlogG= -0.621427 logG= -0.655252 Density= 3.407560 ETOT(band)= -1.578848 trlgG= -2.240323 logG= -0.655252 TDE= -4.402583 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.034036 tlogG= -0.623951 logG= -0.657987 Density= 3.410952 ETOT(band)= -1.578314 trlgG= -2.243830 logG= -0.657987 TDE= -4.406160 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.033916 tlogG= -0.623396 logG= -0.657312 Density= 3.410496 ETOT(band)= -1.578117 trlgG= -2.242606 logG= -0.657312 TDE= -4.405234 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 Sum of eigenvalues= -1028.89501696983 eV TrLogG= -1458.77348239142 eV Ratio to renormalize= 1.001452803146 rho-rho_expected=-0.237914073610 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 6) Finished k-point number 7 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 41) Finished k-point number 42 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 19) Finished k-point number 20 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.804597416030839 0.804355517289802 0.804201463386605 0.804200244291633 0.804862241527058 0.804168185808422 0.804885984445322 0.804232977871394 0.804308528750310 0.804812475993365 0.804409507273671 0.804202944180236 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.034149 tlogG= -0.627828 logG= -0.661977 Density= 3.413513 ETOT(band)= -1.579230 trlgG= -2.249537 logG= -0.661977 TDE= -4.409995 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.034425 tlogG= -0.615031 logG= -0.649456 Density= 3.423389 ETOT(band)= -1.561575 trlgG= -2.220096 logG= -0.649456 TDE= -4.401241 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033764 tlogG= -0.621853 logG= -0.655617 Density= 3.406043 ETOT(band)= -1.580715 trlgG= -2.242549 logG= -0.655617 TDE= -4.403191 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.033979 tlogG= -0.618171 logG= -0.652150 Density= 3.412208 ETOT(band)= -1.572813 trlgG= -2.232057 logG= -0.652150 TDE= -4.401263 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.033867 tlogG= -0.623713 logG= -0.657580 Density= 3.409289 ETOT(band)= -1.579544 trlgG= -2.244308 logG= -0.657580 TDE= -4.405670 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034160 tlogG= -0.615624 logG= -0.649784 Density= 3.416668 ETOT(band)= -1.567362 trlgG= -2.224997 logG= -0.649784 TDE= -4.400255 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.033829 tlogG= -0.626571 logG= -0.660400 Density= 3.409872 ETOT(band)= -1.581081 trlgG= -2.248794 logG= -0.660400 TDE= -4.407818 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.033571 tlogG= -0.628991 logG= -0.662563 Density= 3.403804 ETOT(band)= -1.587693 trlgG= -2.256645 logG= -0.662563 TDE= -4.408488 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=128 logGD-logG0= -0.033702 tlogG= -0.621887 logG= -0.655589 Density= 3.404602 ETOT(band)= -1.581831 trlgG= -2.243442 logG= -0.655589 TDE= -4.402920 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034029 tlogG= -0.626186 logG= -0.660215 Density= 3.412290 ETOT(band)= -1.579012 trlgG= -2.247170 logG= -0.660215 TDE= -4.408378 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.033942 tlogG= -0.621300 logG= -0.655243 Density= 3.409646 ETOT(band)= -1.577264 trlgG= -2.239198 logG= -0.655243 TDE= -4.403193 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.033794 tlogG= -0.623805 logG= -0.657599 Density= 3.407747 ETOT(band)= -1.580634 trlgG= -2.244830 logG= -0.657599 TDE= -4.404898 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.033610 tlogG= -0.627025 logG= -0.660636 Density= 3.403559 ETOT(band)= -1.586438 trlgG= -2.253182 logG= -0.660636 TDE= -4.406750 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033575 tlogG= -0.622378 logG= -0.655954 Density= 3.400506 ETOT(band)= -1.585639 trlgG= -2.247164 logG= -0.655954 TDE= -4.402889 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.034192 tlogG= -0.617651 logG= -0.651843 Density= 3.416781 ETOT(band)= -1.568784 trlgG= -2.228782 logG= -0.651843 TDE= -4.402076 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033679 tlogG= -0.624100 logG= -0.657779 Density= 3.403685 ETOT(band)= -1.584127 trlgG= -2.247631 logG= -0.657779 TDE= -4.404160 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.034768 tlogG= -0.614268 logG= -0.649036 Density= 3.427971 ETOT(band)= -1.557379 trlgG= -2.216129 logG= -0.649036 TDE= -4.401482 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.033791 tlogG= -0.626695 logG= -0.660486 Density= 3.409148 ETOT(band)= -1.581831 trlgG= -2.249623 logG= -0.660486 TDE= -4.407962 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.033784 tlogG= -0.621687 logG= -0.655472 Density= 3.406582 ETOT(band)= -1.579981 trlgG= -2.241550 logG= -0.655472 TDE= -4.402782 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.033765 tlogG= -0.619642 logG= -0.653407 Density= 3.406199 ETOT(band)= -1.578853 trlgG= -2.238491 logG= -0.653407 TDE= -4.401471 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.033641 tlogG= -0.624936 logG= -0.658577 Density= 3.403641 ETOT(band)= -1.584864 trlgG= -2.249489 logG= -0.658577 TDE= -4.405184 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033865 tlogG= -0.628429 logG= -0.662294 Density= 3.410943 ETOT(band)= -1.581638 trlgG= -2.251598 logG= -0.662294 TDE= -4.409612 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.034511 tlogG= -0.614878 logG= -0.649389 Density= 3.424750 ETOT(band)= -1.560344 trlgG= -2.218871 logG= -0.649389 TDE= -4.401208 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.033881 tlogG= -0.621478 logG= -0.655359 Density= 3.408370 ETOT(band)= -1.578532 trlgG= -2.240496 logG= -0.655359 TDE= -4.403319 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035226 tlogG= -0.611116 logG= -0.646341 Density= 3.433721 ETOT(band)= -1.550575 trlgG= -2.207557 logG= -0.646341 TDE= -4.400358 logGD-logG0= -0.034400 tlogG= -0.617126 logG= -0.651525 Density= 3.419697 ETOT(band)= -1.566090 trlgG= -2.226316 logG= -0.651525 TDE= -4.402337 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.034052 tlogG= -0.626088 logG= -0.660141 Density= 3.412781 ETOT(band)= -1.578470 trlgG= -2.246555 logG= -0.660141 TDE= -4.408243 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.033664 tlogG= -0.622122 logG= -0.655786 Density= 3.403561 ETOT(band)= -1.582934 trlgG= -2.244627 logG= -0.655786 TDE= -4.403047 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.034534 tlogG= -0.612634 logG= -0.647168 Density= 3.422616 ETOT(band)= -1.560403 trlgG= -2.216355 logG= -0.647168 TDE= -4.399148 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033840 tlogG= -0.624488 logG= -0.658328 Density= 3.408197 ETOT(band)= -1.580906 trlgG= -2.246133 logG= -0.658328 TDE= -4.405844 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034680 tlogG= -0.614407 logG= -0.649088 Density= 3.426580 ETOT(band)= -1.558611 trlgG= -2.217332 logG= -0.649088 TDE= -4.401483 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.033925 tlogG= -0.619254 logG= -0.653178 Density= 3.410496 ETOT(band)= -1.575105 trlgG= -2.235407 logG= -0.653178 TDE= -4.402169 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.033557 tlogG= -0.624426 logG= -0.657983 Density= 3.400996 ETOT(band)= -1.586736 trlgG= -2.250463 logG= -0.657983 TDE= -4.404565 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.034048 tlogG= -0.621027 logG= -0.655076 Density= 3.410271 ETOT(band)= -1.576680 trlgG= -2.238735 logG= -0.655076 TDE= -4.403413 logGD-logG0= -0.034035 tlogG= -0.624021 logG= -0.658056 Density= 3.410948 ETOT(band)= -1.578389 trlgG= -2.243974 logG= -0.658056 TDE= -4.406231 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.033557 tlogG= -0.627165 logG= -0.660722 Density= 3.402414 ETOT(band)= -1.587547 trlgG= -2.254338 logG= -0.660722 TDE= -4.406874 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.034888 tlogG= -0.611912 logG= -0.646800 Density= 3.430620 ETOT(band)= -1.553564 trlgG= -2.210390 logG= -0.646800 TDE= -4.400169 logGD-logG0= -0.034089 tlogG= -0.620873 logG= -0.654962 Density= 3.411487 ETOT(band)= -1.575476 trlgG= -2.237565 logG= -0.654962 TDE= -4.403363 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034080 tlogG= -0.618836 logG= -0.652916 Density= 3.413126 ETOT(band)= -1.572689 trlgG= -2.233241 logG= -0.652916 TDE= -4.402439 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.033783 tlogG= -0.621720 logG= -0.655503 Density= 3.406030 ETOT(band)= -1.580362 trlgG= -2.241689 logG= -0.655503 TDE= -4.402433 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.033745 tlogG= -0.621933 logG= -0.655678 Density= 3.404235 ETOT(band)= -1.582021 trlgG= -2.243158 logG= -0.655678 TDE= -4.402243 logGD-logG0= -0.033916 tlogG= -0.623466 logG= -0.657382 Density= 3.410492 ETOT(band)= -1.578193 trlgG= -2.242750 logG= -0.657382 TDE= -4.405305 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.034183 tlogG= -0.618559 logG= -0.652742 Density= 3.416731 ETOT(band)= -1.569418 trlgG= -2.230024 logG= -0.652742 TDE= -4.402377 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.034050 tlogG= -0.618944 logG= -0.652994 Density= 3.413695 ETOT(band)= -1.572141 trlgG= -2.232487 logG= -0.652994 TDE= -4.402078 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.033703 tlogG= -0.624093 logG= -0.657796 Density= 3.405922 ETOT(band)= -1.582508 trlgG= -2.246877 logG= -0.657796 TDE= -4.405239 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.033922 tlogG= -0.619310 logG= -0.653233 Density= 3.410269 ETOT(band)= -1.575176 trlgG= -2.234865 logG= -0.653233 TDE= -4.401384 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.033824 tlogG= -0.621498 logG= -0.655322 Density= 3.407556 ETOT(band)= -1.578924 trlgG= -2.240467 logG= -0.655322 TDE= -4.402655 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034255 tlogG= -0.615470 logG= -0.649725 Density= 3.418229 ETOT(band)= -1.565975 trlgG= -2.223620 logG= -0.649725 TDE= -4.400229 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 Sum of eigenvalues= -1028.94486463972 eV TrLogG= -1458.86574026089 eV Ratio to renormalize= 1.001454092609 rho-rho_expected=-0.238124932124 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 36) Finished k-point number 37 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 37) Finished k-point number 38 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 16) Finished k-point number 17 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.804594766936089 0.804356418954348 0.804203195445659 0.804197537628659 0.804863192434014 0.804169843856311 0.804883392722422 0.804233835752538 0.804310229570646 0.804809839947968 0.804410427014852 0.804204664761538 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.033641 tlogG= -0.624902 logG= -0.658543 Density= 3.403635 ETOT(band)= -1.584817 trlgG= -2.249409 logG= -0.658543 TDE= -4.405133 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033866 tlogG= -0.623679 logG= -0.657545 Density= 3.409285 ETOT(band)= -1.579496 trlgG= -2.244226 logG= -0.657545 TDE= -4.405619 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034148 tlogG= -0.627794 logG= -0.661942 Density= 3.413510 ETOT(band)= -1.579181 trlgG= -2.249454 logG= -0.661942 TDE= -4.409944 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.033571 tlogG= -0.628957 logG= -0.662528 Density= 3.403797 ETOT(band)= -1.587647 trlgG= -2.256565 logG= -0.662528 TDE= -4.408437 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=128 logGD-logG0= -0.033764 tlogG= -0.621818 logG= -0.655582 Density= 3.406037 ETOT(band)= -1.580668 trlgG= -2.242469 logG= -0.655582 TDE= -4.403139 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.034028 tlogG= -0.626152 logG= -0.660181 Density= 3.412287 ETOT(band)= -1.578963 trlgG= -2.247087 logG= -0.660181 TDE= -4.408327 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.034680 tlogG= -0.614373 logG= -0.649053 Density= 3.426578 ETOT(band)= -1.558562 trlgG= -2.217248 logG= -0.649053 TDE= -4.401432 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.033703 tlogG= -0.624059 logG= -0.657762 Density= 3.405917 ETOT(band)= -1.582462 trlgG= -2.246797 logG= -0.657762 TDE= -4.405188 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.033978 tlogG= -0.618137 logG= -0.652115 Density= 3.412203 ETOT(band)= -1.572766 trlgG= -2.231975 logG= -0.652115 TDE= -4.401211 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.033679 tlogG= -0.624066 logG= -0.657745 Density= 3.403679 ETOT(band)= -1.584081 trlgG= -2.247551 logG= -0.657745 TDE= -4.404109 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.034888 tlogG= -0.611878 logG= -0.646765 Density= 3.430617 ETOT(band)= -1.553514 trlgG= -2.210306 logG= -0.646765 TDE= -4.400118 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033575 tlogG= -0.622344 logG= -0.655919 Density= 3.400500 ETOT(band)= -1.585592 trlgG= -2.247083 logG= -0.655919 TDE= -4.402839 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.033793 tlogG= -0.623771 logG= -0.657564 Density= 3.407741 ETOT(band)= -1.580587 trlgG= -2.244750 logG= -0.657564 TDE= -4.404847 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.034035 tlogG= -0.623987 logG= -0.658022 Density= 3.410944 ETOT(band)= -1.578341 trlgG= -2.243892 logG= -0.658022 TDE= -4.406180 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.033790 tlogG= -0.626662 logG= -0.660452 Density= 3.409144 ETOT(band)= -1.581784 trlgG= -2.249541 logG= -0.660452 TDE= -4.407911 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.034159 tlogG= -0.615590 logG= -0.649749 Density= 3.416663 ETOT(band)= -1.567314 trlgG= -2.224914 logG= -0.649749 TDE= -4.400204 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.033840 tlogG= -0.624454 logG= -0.658293 Density= 3.408192 ETOT(band)= -1.580858 trlgG= -2.246051 logG= -0.658293 TDE= -4.405793 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.033765 tlogG= -0.619608 logG= -0.653373 Density= 3.406193 ETOT(band)= -1.578806 trlgG= -2.238411 logG= -0.653373 TDE= -4.401420 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.033942 tlogG= -0.621266 logG= -0.655208 Density= 3.409642 ETOT(band)= -1.577216 trlgG= -2.239116 logG= -0.655208 TDE= -4.403142 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.033610 tlogG= -0.626992 logG= -0.660602 Density= 3.403552 ETOT(band)= -1.586392 trlgG= -2.253102 logG= -0.660602 TDE= -4.406699 logGD-logG0= -0.034088 tlogG= -0.620839 logG= -0.654927 Density= 3.411483 ETOT(band)= -1.575428 trlgG= -2.237483 logG= -0.654927 TDE= -4.403312 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.033828 tlogG= -0.626537 logG= -0.660365 Density= 3.409867 ETOT(band)= -1.581034 trlgG= -2.248713 logG= -0.660365 TDE= -4.407767 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.033664 tlogG= -0.622088 logG= -0.655751 Density= 3.403555 ETOT(band)= -1.582887 trlgG= -2.244547 logG= -0.655751 TDE= -4.402996 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.034424 tlogG= -0.614997 logG= -0.649421 Density= 3.423386 ETOT(band)= -1.561525 trlgG= -2.220013 logG= -0.649421 TDE= -4.401190 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034052 tlogG= -0.626054 logG= -0.660106 Density= 3.412778 ETOT(band)= -1.578421 trlgG= -2.246472 logG= -0.660106 TDE= -4.408193 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.034192 tlogG= -0.617617 logG= -0.651809 Density= 3.416778 ETOT(band)= -1.568735 trlgG= -2.228699 logG= -0.651809 TDE= -4.402024 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.033924 tlogG= -0.619219 logG= -0.653144 Density= 3.410491 ETOT(band)= -1.575058 trlgG= -2.235325 logG= -0.653144 TDE= -4.402118 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.034399 tlogG= -0.617091 logG= -0.651491 Density= 3.419693 ETOT(band)= -1.566041 trlgG= -2.226232 logG= -0.651491 TDE= -4.402286 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.034510 tlogG= -0.614844 logG= -0.649354 Density= 3.424747 ETOT(band)= -1.560295 trlgG= -2.218787 logG= -0.649354 TDE= -4.401157 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.033784 tlogG= -0.621653 logG= -0.655437 Density= 3.406576 ETOT(band)= -1.579935 trlgG= -2.241469 logG= -0.655437 TDE= -4.402730 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.033881 tlogG= -0.621444 logG= -0.655325 Density= 3.408366 ETOT(band)= -1.578484 trlgG= -2.240414 logG= -0.655325 TDE= -4.403268 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.034254 tlogG= -0.615436 logG= -0.649690 Density= 3.418225 ETOT(band)= -1.565927 trlgG= -2.223538 logG= -0.649690 TDE= -4.400178 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.033702 tlogG= -0.621853 logG= -0.655554 Density= 3.404596 ETOT(band)= -1.581785 trlgG= -2.243361 logG= -0.655554 TDE= -4.402869 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034767 tlogG= -0.614234 logG= -0.649001 Density= 3.427969 ETOT(band)= -1.557329 trlgG= -2.216044 logG= -0.649001 TDE= -4.401430 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.034534 tlogG= -0.612599 logG= -0.647133 Density= 3.422611 ETOT(band)= -1.560355 trlgG= -2.216272 logG= -0.647133 TDE= -4.399097 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.034183 tlogG= -0.618524 logG= -0.652707 Density= 3.416728 ETOT(band)= -1.569369 trlgG= -2.229941 logG= -0.652707 TDE= -4.402326 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.033915 tlogG= -0.623432 logG= -0.657348 Density= 3.410488 ETOT(band)= -1.578145 trlgG= -2.242669 logG= -0.657348 TDE= -4.405254 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.033865 tlogG= -0.628395 logG= -0.662260 Density= 3.410939 ETOT(band)= -1.581590 trlgG= -2.251516 logG= -0.662260 TDE= -4.409562 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.033922 tlogG= -0.619276 logG= -0.653198 Density= 3.410264 ETOT(band)= -1.575129 trlgG= -2.234783 logG= -0.653198 TDE= -4.401333 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035225 tlogG= -0.611081 logG= -0.646306 Density= 3.433718 ETOT(band)= -1.550525 trlgG= -2.207472 logG= -0.646306 TDE= -4.400307 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.034080 tlogG= -0.618801 logG= -0.652881 Density= 3.413122 ETOT(band)= -1.572641 trlgG= -2.233159 logG= -0.652881 TDE= -4.402388 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.034049 tlogG= -0.618910 logG= -0.652959 Density= 3.413691 ETOT(band)= -1.572092 trlgG= -2.232404 logG= -0.652959 TDE= -4.402027 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.033557 tlogG= -0.627131 logG= -0.660688 Density= 3.402408 ETOT(band)= -1.587501 trlgG= -2.254258 logG= -0.660688 TDE= -4.406823 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.033745 tlogG= -0.621899 logG= -0.655643 Density= 3.404228 ETOT(band)= -1.581975 trlgG= -2.243078 logG= -0.655643 TDE= -4.402192 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.033557 tlogG= -0.624392 logG= -0.657948 Density= 3.400991 ETOT(band)= -1.586689 trlgG= -2.250383 logG= -0.657948 TDE= -4.404515 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.034048 tlogG= -0.620993 logG= -0.655041 Density= 3.410267 ETOT(band)= -1.576632 trlgG= -2.238653 logG= -0.655041 TDE= -4.403362 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.033782 tlogG= -0.621686 logG= -0.655469 Density= 3.406024 ETOT(band)= -1.580316 trlgG= -2.241608 logG= -0.655469 TDE= -4.402382 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.033823 tlogG= -0.621464 logG= -0.655287 Density= 3.407550 ETOT(band)= -1.578877 trlgG= -2.240386 logG= -0.655287 TDE= -4.402604 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1028.91366622440 eV TrLogG= -1458.80979355234 eV Ratio to renormalize= 1.001455439685 rho-rho_expected=-0.238345211224 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 45) Finished k-point number 46 1 with #bands= 107 24) Finished k-point number 25 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 40) Finished k-point number 41 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.804586173458365 0.804351388943314 0.804199150728804 0.804188847443657 0.804858250442744 0.804165754630177 0.804874845814508 0.804228771313019 0.804306164535504 0.804801255406181 0.804405421123300 0.804200608361015 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.033763 tlogG= -0.619580 logG= -0.653343 Density= 3.406174 ETOT(band)= -1.578763 trlgG= -2.238338 logG= -0.653343 TDE= -4.401361 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.034146 tlogG= -0.627766 logG= -0.661912 Density= 3.413500 ETOT(band)= -1.579131 trlgG= -2.249375 logG= -0.661912 TDE= -4.409886 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.033700 tlogG= -0.621825 logG= -0.655524 Density= 3.404578 ETOT(band)= -1.581742 trlgG= -2.243289 logG= -0.655524 TDE= -4.402811 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034422 tlogG= -0.614969 logG= -0.649391 Density= 3.423367 ETOT(band)= -1.561482 trlgG= -2.219938 logG= -0.649391 TDE= -4.401130 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.033569 tlogG= -0.628930 logG= -0.662499 Density= 3.403778 ETOT(band)= -1.587605 trlgG= -2.256493 logG= -0.662499 TDE= -4.408379 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=127 logGD-logG0= -0.034026 tlogG= -0.626125 logG= -0.660151 Density= 3.412275 ETOT(band)= -1.578915 trlgG= -2.247009 logG= -0.660151 TDE= -4.408269 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.033677 tlogG= -0.624038 logG= -0.657715 Density= 3.403661 ETOT(band)= -1.584038 trlgG= -2.247479 logG= -0.657715 TDE= -4.404052 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.034157 tlogG= -0.615562 logG= -0.649719 Density= 3.416644 ETOT(band)= -1.567272 trlgG= -2.224840 logG= -0.649719 TDE= -4.400144 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.034677 tlogG= -0.614345 logG= -0.649022 Density= 3.426561 ETOT(band)= -1.558517 trlgG= -2.217171 logG= -0.649022 TDE= -4.401372 logGD-logG0= -0.033608 tlogG= -0.626964 logG= -0.660572 Density= 3.403534 ETOT(band)= -1.586349 trlgG= -2.253030 logG= -0.660572 TDE= -4.406641 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033940 tlogG= -0.621238 logG= -0.655178 Density= 3.409626 ETOT(band)= -1.577172 trlgG= -2.239041 logG= -0.655178 TDE= -4.403083 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.035223 tlogG= -0.611053 logG= -0.646276 Density= 3.433705 ETOT(band)= -1.550477 trlgG= -2.207393 logG= -0.646276 TDE= -4.400247 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.033555 tlogG= -0.627103 logG= -0.660658 Density= 3.402390 ETOT(band)= -1.587458 trlgG= -2.254186 logG= -0.660658 TDE= -4.406765 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.033573 tlogG= -0.622317 logG= -0.655890 Density= 3.400486 ETOT(band)= -1.585546 trlgG= -2.247009 logG= -0.655890 TDE= -4.402782 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.034189 tlogG= -0.617589 logG= -0.651778 Density= 3.416759 ETOT(band)= -1.568693 trlgG= -2.228625 logG= -0.651778 TDE= -4.401965 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033762 tlogG= -0.621791 logG= -0.655552 Density= 3.406020 ETOT(band)= -1.580624 trlgG= -2.242395 logG= -0.655552 TDE= -4.403081 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.033782 tlogG= -0.621626 logG= -0.655408 Density= 3.406558 ETOT(band)= -1.579892 trlgG= -2.241397 logG= -0.655408 TDE= -4.402672 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.033791 tlogG= -0.623743 logG= -0.657535 Density= 3.407724 ETOT(band)= -1.580544 trlgG= -2.244676 logG= -0.657535 TDE= -4.404789 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.033639 tlogG= -0.624875 logG= -0.658513 Density= 3.403618 ETOT(band)= -1.584774 trlgG= -2.249337 logG= -0.658513 TDE= -4.405076 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.034086 tlogG= -0.620811 logG= -0.654897 Density= 3.411467 ETOT(band)= -1.575384 trlgG= -2.237408 logG= -0.654897 TDE= -4.403253 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.034050 tlogG= -0.626027 logG= -0.660076 Density= 3.412766 ETOT(band)= -1.578373 trlgG= -2.246394 logG= -0.660076 TDE= -4.408135 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.033976 tlogG= -0.618109 logG= -0.652085 Density= 3.412183 ETOT(band)= -1.572724 trlgG= -2.231903 logG= -0.652085 TDE= -4.401152 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.034252 tlogG= -0.615408 logG= -0.649660 Density= 3.418206 ETOT(band)= -1.565883 trlgG= -2.223463 logG= -0.649660 TDE= -4.400118 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.033863 tlogG= -0.628368 logG= -0.662230 Density= 3.410926 ETOT(band)= -1.581543 trlgG= -2.251439 logG= -0.662230 TDE= -4.409504 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.033879 tlogG= -0.621416 logG= -0.655295 Density= 3.408350 ETOT(band)= -1.578439 trlgG= -2.240339 logG= -0.655295 TDE= -4.403210 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.034397 tlogG= -0.617063 logG= -0.651461 Density= 3.419675 ETOT(band)= -1.565998 trlgG= -2.226158 logG= -0.651461 TDE= -4.402226 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.034765 tlogG= -0.614206 logG= -0.648971 Density= 3.427953 ETOT(band)= -1.557283 trlgG= -2.215967 logG= -0.648971 TDE= -4.401370 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.033701 tlogG= -0.624031 logG= -0.657732 Density= 3.405900 ETOT(band)= -1.582418 trlgG= -2.246723 logG= -0.657732 TDE= -4.405130 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.033826 tlogG= -0.626510 logG= -0.660336 Density= 3.409852 ETOT(band)= -1.580988 trlgG= -2.248638 logG= -0.660336 TDE= -4.407709 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.034046 tlogG= -0.620965 logG= -0.655011 Density= 3.410251 ETOT(band)= -1.576587 trlgG= -2.238578 logG= -0.655011 TDE= -4.403304 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.034047 tlogG= -0.618882 logG= -0.652929 Density= 3.413673 ETOT(band)= -1.572049 trlgG= -2.232331 logG= -0.652929 TDE= -4.401968 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.033922 tlogG= -0.619191 logG= -0.653114 Density= 3.410473 ETOT(band)= -1.575015 trlgG= -2.235252 logG= -0.653114 TDE= -4.402058 logGD-logG0= -0.033864 tlogG= -0.623651 logG= -0.657515 Density= 3.409269 ETOT(band)= -1.579451 trlgG= -2.244151 logG= -0.657515 TDE= -4.405561 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034508 tlogG= -0.614815 logG= -0.649324 Density= 3.424729 ETOT(band)= -1.560251 trlgG= -2.218712 logG= -0.649324 TDE= -4.401097 logGD-logG0= -0.033788 tlogG= -0.626634 logG= -0.660422 Density= 3.409129 ETOT(band)= -1.581739 trlgG= -2.249467 logG= -0.660422 TDE= -4.407854 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.033662 tlogG= -0.622060 logG= -0.655722 Density= 3.403538 ETOT(band)= -1.582844 trlgG= -2.244474 logG= -0.655722 TDE= -4.402939 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.033743 tlogG= -0.621871 logG= -0.655614 Density= 3.404211 ETOT(band)= -1.581932 trlgG= -2.243005 logG= -0.655614 TDE= -4.402134 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.033838 tlogG= -0.624426 logG= -0.658264 Density= 3.408177 ETOT(band)= -1.580813 trlgG= -2.245976 logG= -0.658264 TDE= -4.405735 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.034885 tlogG= -0.611849 logG= -0.646735 Density= 3.430601 ETOT(band)= -1.553468 trlgG= -2.210229 logG= -0.646735 TDE= -4.400058 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.034033 tlogG= -0.623959 logG= -0.657992 Density= 3.410930 ETOT(band)= -1.578295 trlgG= -2.243816 logG= -0.657992 TDE= -4.406122 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.033913 tlogG= -0.623405 logG= -0.657318 Density= 3.410472 ETOT(band)= -1.578100 trlgG= -2.242594 logG= -0.657318 TDE= -4.405196 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.034078 tlogG= -0.618773 logG= -0.652851 Density= 3.413104 ETOT(band)= -1.572597 trlgG= -2.233084 logG= -0.652851 TDE= -4.402329 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.033780 tlogG= -0.621658 logG= -0.655439 Density= 3.406006 ETOT(band)= -1.580272 trlgG= -2.241536 logG= -0.655439 TDE= -4.402324 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.033555 tlogG= -0.624364 logG= -0.657919 Density= 3.400975 ETOT(band)= -1.586645 trlgG= -2.250309 logG= -0.657919 TDE= -4.404458 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.034181 tlogG= -0.618496 logG= -0.652677 Density= 3.416710 ETOT(band)= -1.569326 trlgG= -2.229866 logG= -0.652677 TDE= -4.402267 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.033920 tlogG= -0.619248 logG= -0.653168 Density= 3.410244 ETOT(band)= -1.575087 trlgG= -2.234711 logG= -0.653168 TDE= -4.401274 logGD-logG0= -0.033821 tlogG= -0.621436 logG= -0.655257 Density= 3.407532 ETOT(band)= -1.578834 trlgG= -2.240313 logG= -0.655257 TDE= -4.402545 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034531 tlogG= -0.612571 logG= -0.647102 Density= 3.422593 ETOT(band)= -1.560312 trlgG= -2.216197 logG= -0.647102 TDE= -4.399037 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Sum of eigenvalues= -1028.88476775725 eV TrLogG= -1458.75212979703 eV Ratio to renormalize= 1.001460371204 rho-rho_expected=-0.239151627302 nargs= 1 argi=dmft2.def 15) Finished k-point number 16 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 11) Finished k-point number 12 1 with #bands= 107 21) Finished k-point number 22 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 29) Finished k-point number 30 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.804590359221028 0.804356312873105 0.804204430282408 0.804193023440157 0.804863134379352 0.804170980353793 0.804879069159709 0.804233662537895 0.804311400331572 0.804805477113172 0.804410317572228 0.804205873112221 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.033864 tlogG= -0.623615 logG= -0.657479 Density= 3.409267 ETOT(band)= -1.579414 trlgG= -2.244078 logG= -0.657479 TDE= -4.405523 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033862 tlogG= -0.628332 logG= -0.662194 Density= 3.410925 ETOT(band)= -1.581505 trlgG= -2.251366 logG= -0.662194 TDE= -4.409466 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.033940 tlogG= -0.621203 logG= -0.655142 Density= 3.409623 ETOT(band)= -1.577135 trlgG= -2.238969 logG= -0.655142 TDE= -4.403044 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.033761 tlogG= -0.621755 logG= -0.655516 Density= 3.406017 ETOT(band)= -1.580588 trlgG= -2.242323 logG= -0.655516 TDE= -4.403043 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.034508 tlogG= -0.614779 logG= -0.649287 Density= 3.424727 ETOT(band)= -1.560214 trlgG= -2.218639 logG= -0.649287 TDE= -4.401058 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.033782 tlogG= -0.621590 logG= -0.655372 Density= 3.406555 ETOT(band)= -1.579856 trlgG= -2.241324 logG= -0.655372 TDE= -4.402634 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.034032 tlogG= -0.623924 logG= -0.657956 Density= 3.410928 ETOT(band)= -1.578258 trlgG= -2.243743 logG= -0.657956 TDE= -4.406084 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.033569 tlogG= -0.628894 logG= -0.662463 Density= 3.403775 ETOT(band)= -1.587569 trlgG= -2.256421 logG= -0.662463 TDE= -4.408341 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=127 logGD-logG0= -0.033573 tlogG= -0.622281 logG= -0.655854 Density= 3.400483 ETOT(band)= -1.585510 trlgG= -2.246937 logG= -0.655854 TDE= -4.402744 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.033763 tlogG= -0.619544 logG= -0.653307 Density= 3.406171 ETOT(band)= -1.578727 trlgG= -2.238266 logG= -0.653307 TDE= -4.401323 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.034047 tlogG= -0.618846 logG= -0.652893 Density= 3.413670 ETOT(band)= -1.572013 trlgG= -2.232258 logG= -0.652893 TDE= -4.401929 logGD-logG0= -0.034422 tlogG= -0.614933 logG= -0.649354 Density= 3.423364 ETOT(band)= -1.561445 trlgG= -2.219866 logG= -0.649354 TDE= -4.401091 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.034146 tlogG= -0.627730 logG= -0.661876 Density= 3.413500 ETOT(band)= -1.579093 trlgG= -2.249301 logG= -0.661876 TDE= -4.409848 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.033608 tlogG= -0.626928 logG= -0.660536 Density= 3.403531 ETOT(band)= -1.586313 trlgG= -2.252958 logG= -0.660536 TDE= -4.406603 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.033791 tlogG= -0.623708 logG= -0.657499 Density= 3.407722 ETOT(band)= -1.580507 trlgG= -2.244604 logG= -0.657499 TDE= -4.404751 logGD-logG0= -0.033677 tlogG= -0.624002 logG= -0.657679 Density= 3.403658 ETOT(band)= -1.584001 trlgG= -2.247407 logG= -0.657679 TDE= -4.404013 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.033638 tlogG= -0.624839 logG= -0.658478 Density= 3.403615 ETOT(band)= -1.584738 trlgG= -2.249265 logG= -0.658478 TDE= -4.405038 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.034026 tlogG= -0.626089 logG= -0.660115 Density= 3.412274 ETOT(band)= -1.578877 trlgG= -2.246936 logG= -0.660115 TDE= -4.408231 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.033555 tlogG= -0.624328 logG= -0.657883 Density= 3.400972 ETOT(band)= -1.586609 trlgG= -2.250237 logG= -0.657883 TDE= -4.404419 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.034157 tlogG= -0.615526 logG= -0.649683 Density= 3.416641 ETOT(band)= -1.567235 trlgG= -2.224768 logG= -0.649683 TDE= -4.400105 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.033976 tlogG= -0.618073 logG= -0.652049 Density= 3.412180 ETOT(band)= -1.572688 trlgG= -2.231830 logG= -0.652049 TDE= -4.401114 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.033879 tlogG= -0.621380 logG= -0.655259 Density= 3.408347 ETOT(band)= -1.578402 trlgG= -2.240267 logG= -0.655259 TDE= -4.403171 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.033788 tlogG= -0.626598 logG= -0.660386 Density= 3.409127 ETOT(band)= -1.581701 trlgG= -2.249394 logG= -0.660386 TDE= -4.407815 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.034189 tlogG= -0.617553 logG= -0.651742 Density= 3.416755 ETOT(band)= -1.568656 trlgG= -2.228553 logG= -0.651742 TDE= -4.401926 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033920 tlogG= -0.619212 logG= -0.653132 Density= 3.410242 ETOT(band)= -1.575050 trlgG= -2.234638 logG= -0.653132 TDE= -4.401236 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.033699 tlogG= -0.621789 logG= -0.655488 Density= 3.404575 ETOT(band)= -1.581705 trlgG= -2.243217 logG= -0.655488 TDE= -4.402772 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033913 tlogG= -0.623369 logG= -0.657282 Density= 3.410471 ETOT(band)= -1.578063 trlgG= -2.242521 logG= -0.657282 TDE= -4.405158 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.033662 tlogG= -0.622024 logG= -0.655686 Density= 3.403535 ETOT(band)= -1.582807 trlgG= -2.244402 logG= -0.655686 TDE= -4.402901 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.033555 tlogG= -0.627068 logG= -0.660622 Density= 3.402387 ETOT(band)= -1.587422 trlgG= -2.254114 logG= -0.660622 TDE= -4.406727 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.034531 tlogG= -0.612535 logG= -0.647066 Density= 3.422590 ETOT(band)= -1.560275 trlgG= -2.216124 logG= -0.647066 TDE= -4.398998 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.034397 tlogG= -0.617027 logG= -0.651424 Density= 3.419672 ETOT(band)= -1.565962 trlgG= -2.226085 logG= -0.651424 TDE= -4.402187 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.033701 tlogG= -0.623996 logG= -0.657696 Density= 3.405897 ETOT(band)= -1.582381 trlgG= -2.246651 logG= -0.657696 TDE= -4.405092 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.035223 tlogG= -0.611017 logG= -0.646239 Density= 3.433703 ETOT(band)= -1.550439 trlgG= -2.207318 logG= -0.646239 TDE= -4.400208 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.034252 tlogG= -0.615372 logG= -0.649624 Density= 3.418204 ETOT(band)= -1.565846 trlgG= -2.223390 logG= -0.649624 TDE= -4.400079 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.033826 tlogG= -0.626474 logG= -0.660300 Density= 3.409850 ETOT(band)= -1.580951 trlgG= -2.248565 logG= -0.660300 TDE= -4.407671 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.034050 tlogG= -0.625991 logG= -0.660040 Density= 3.412765 ETOT(band)= -1.578335 trlgG= -2.246321 logG= -0.660040 TDE= -4.408096 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.034885 tlogG= -0.611813 logG= -0.646698 Density= 3.430599 ETOT(band)= -1.553430 trlgG= -2.210155 logG= -0.646698 TDE= -4.400019 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.034180 tlogG= -0.618460 logG= -0.652641 Density= 3.416707 ETOT(band)= -1.569289 trlgG= -2.229794 logG= -0.652641 TDE= -4.402228 logGD-logG0= -0.034677 tlogG= -0.614309 logG= -0.648986 Density= 3.426559 ETOT(band)= -1.558480 trlgG= -2.217098 logG= -0.648986 TDE= -4.401333 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.034046 tlogG= -0.620929 logG= -0.654975 Density= 3.410248 ETOT(band)= -1.576550 trlgG= -2.238505 logG= -0.654975 TDE= -4.403265 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.033922 tlogG= -0.619156 logG= -0.653078 Density= 3.410470 ETOT(band)= -1.574979 trlgG= -2.235179 logG= -0.653078 TDE= -4.402019 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.033837 tlogG= -0.624390 logG= -0.658228 Density= 3.408175 ETOT(band)= -1.580776 trlgG= -2.245903 logG= -0.658228 TDE= -4.405696 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.034078 tlogG= -0.618738 logG= -0.652815 Density= 3.413100 ETOT(band)= -1.572561 trlgG= -2.233012 logG= -0.652815 TDE= -4.402290 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.033780 tlogG= -0.621623 logG= -0.655403 Density= 3.406003 ETOT(band)= -1.580236 trlgG= -2.241464 logG= -0.655403 TDE= -4.402286 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.034086 tlogG= -0.620775 logG= -0.654861 Density= 3.411464 ETOT(band)= -1.575347 trlgG= -2.237335 logG= -0.654861 TDE= -4.403214 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.033742 tlogG= -0.621835 logG= -0.655578 Density= 3.404208 ETOT(band)= -1.581895 trlgG= -2.242933 logG= -0.655578 TDE= -4.402096 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.034765 tlogG= -0.614170 logG= -0.648934 Density= 3.427951 ETOT(band)= -1.557246 trlgG= -2.215893 logG= -0.648934 TDE= -4.401331 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.033821 tlogG= -0.621400 logG= -0.655221 Density= 3.407529 ETOT(band)= -1.578798 trlgG= -2.240241 logG= -0.655221 TDE= -4.402507 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Sum of eigenvalues= -1028.86073958561 eV TrLogG= -1458.70339673794 eV Ratio to renormalize= 1.001461076475 rho-rho_expected=-0.239266954515 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 4) Finished k-point number 5 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 44) Finished k-point number 45 1 with #bands= 107 19) Finished k-point number 20 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.804590214041265 0.804356287566260 0.804204398417581 0.804192884541812 0.804863108644386 0.804170961129833 0.804878917091126 0.804233639143908 0.804311376798891 0.804805323541099 0.804410298943007 0.804205843813580 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.034026 tlogG= -0.626088 logG= -0.660113 Density= 3.412271 ETOT(band)= -1.578871 trlgG= -2.246927 logG= -0.660113 TDE= -4.408222 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.034146 tlogG= -0.627729 logG= -0.661875 Density= 3.413497 ETOT(band)= -1.579086 trlgG= -2.249292 logG= -0.661875 TDE= -4.409839 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.033781 tlogG= -0.621588 logG= -0.655370 Density= 3.406551 ETOT(band)= -1.579850 trlgG= -2.241317 logG= -0.655370 TDE= -4.402625 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.033572 tlogG= -0.622280 logG= -0.655852 Density= 3.400480 ETOT(band)= -1.585503 trlgG= -2.246929 logG= -0.655852 TDE= -4.402735 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.033939 tlogG= -0.621201 logG= -0.655141 Density= 3.409619 ETOT(band)= -1.577129 trlgG= -2.238961 logG= -0.655141 TDE= -4.403035 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.033864 tlogG= -0.623614 logG= -0.657478 Density= 3.409264 ETOT(band)= -1.579408 trlgG= -2.244070 logG= -0.657478 TDE= -4.405513 logGD-logG0= -0.033638 tlogG= -0.624838 logG= -0.658476 Density= 3.403611 ETOT(band)= -1.584731 trlgG= -2.249257 logG= -0.658476 TDE= -4.405028 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033976 tlogG= -0.618072 logG= -0.652047 Density= 3.412176 ETOT(band)= -1.572682 trlgG= -2.231823 logG= -0.652047 TDE= -4.401104 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.034764 tlogG= -0.614168 logG= -0.648933 Density= 3.427946 ETOT(band)= -1.557240 trlgG= -2.215886 logG= -0.648933 TDE= -4.401322 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.033661 tlogG= -0.622023 logG= -0.655684 Density= 3.403532 ETOT(band)= -1.582801 trlgG= -2.244394 logG= -0.655684 TDE= -4.402892 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.034884 tlogG= -0.611812 logG= -0.646697 Density= 3.430595 ETOT(band)= -1.553425 trlgG= -2.210147 logG= -0.646697 TDE= -4.400009 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.033761 tlogG= -0.621754 logG= -0.655515 Density= 3.406014 ETOT(band)= -1.580582 trlgG= -2.242315 logG= -0.655515 TDE= -4.403034 logGD-logG0= -0.034531 tlogG= -0.612534 logG= -0.647064 Density= 3.422585 ETOT(band)= -1.560270 trlgG= -2.216117 logG= -0.647064 TDE= -4.398988 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.033676 tlogG= -0.624001 logG= -0.657677 Density= 3.403654 ETOT(band)= -1.583995 trlgG= -2.247399 logG= -0.657677 TDE= -4.404004 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.033699 tlogG= -0.621788 logG= -0.655487 Density= 3.404571 ETOT(band)= -1.581699 trlgG= -2.243209 logG= -0.655487 TDE= -4.402763 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033569 tlogG= -0.628893 logG= -0.662461 Density= 3.403772 ETOT(band)= -1.587563 trlgG= -2.256414 logG= -0.662461 TDE= -4.408332 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=127 logGD-logG0= -0.033919 tlogG= -0.619211 logG= -0.653130 Density= 3.410237 ETOT(band)= -1.575045 trlgG= -2.234631 logG= -0.653130 TDE= -4.401226 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.033700 tlogG= -0.623994 logG= -0.657695 Density= 3.405894 ETOT(band)= -1.582375 trlgG= -2.246643 logG= -0.657695 TDE= -4.405082 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034032 tlogG= -0.623922 logG= -0.657954 Density= 3.410925 ETOT(band)= -1.578251 trlgG= -2.243735 logG= -0.657954 TDE= -4.406075 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.033607 tlogG= -0.626927 logG= -0.660534 Density= 3.403527 ETOT(band)= -1.586307 trlgG= -2.252950 logG= -0.660534 TDE= -4.406593 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033554 tlogG= -0.627066 logG= -0.660620 Density= 3.402384 ETOT(band)= -1.587416 trlgG= -2.254106 logG= -0.660620 TDE= -4.406718 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.033825 tlogG= -0.626473 logG= -0.660298 Density= 3.409847 ETOT(band)= -1.580945 trlgG= -2.248557 logG= -0.660298 TDE= -4.407662 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.033762 tlogG= -0.619543 logG= -0.653305 Density= 3.406166 ETOT(band)= -1.578722 trlgG= -2.238258 logG= -0.653305 TDE= -4.401313 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035222 tlogG= -0.611015 logG= -0.646238 Density= 3.433699 ETOT(band)= -1.550433 trlgG= -2.207310 logG= -0.646238 TDE= -4.400198 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.033878 tlogG= -0.621379 logG= -0.655257 Density= 3.408344 ETOT(band)= -1.578396 trlgG= -2.240259 logG= -0.655257 TDE= -4.403162 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.034507 tlogG= -0.614778 logG= -0.649286 Density= 3.424722 ETOT(band)= -1.560209 trlgG= -2.218632 logG= -0.649286 TDE= -4.401048 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.034421 tlogG= -0.614932 logG= -0.649353 Density= 3.423359 ETOT(band)= -1.561441 trlgG= -2.219859 logG= -0.649353 TDE= -4.401081 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.034049 tlogG= -0.625990 logG= -0.660039 Density= 3.412762 ETOT(band)= -1.578328 trlgG= -2.246312 logG= -0.660039 TDE= -4.408087 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.033791 tlogG= -0.623706 logG= -0.657497 Density= 3.407718 ETOT(band)= -1.580501 trlgG= -2.244596 logG= -0.657497 TDE= -4.404742 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.033837 tlogG= -0.624389 logG= -0.658226 Density= 3.408171 ETOT(band)= -1.580770 trlgG= -2.245895 logG= -0.658226 TDE= -4.405687 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.034157 tlogG= -0.615525 logG= -0.649682 Density= 3.416636 ETOT(band)= -1.567230 trlgG= -2.224761 logG= -0.649682 TDE= -4.400095 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.034189 tlogG= -0.617552 logG= -0.651741 Density= 3.416750 ETOT(band)= -1.568651 trlgG= -2.228546 logG= -0.651741 TDE= -4.401916 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034045 tlogG= -0.620928 logG= -0.654973 Density= 3.410245 ETOT(band)= -1.576544 trlgG= -2.238497 logG= -0.654973 TDE= -4.403255 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.034677 tlogG= -0.614308 logG= -0.648984 Density= 3.426554 ETOT(band)= -1.558474 trlgG= -2.217091 logG= -0.648984 TDE= -4.401323 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.033780 tlogG= -0.621621 logG= -0.655401 Density= 3.405999 ETOT(band)= -1.580230 trlgG= -2.241457 logG= -0.655401 TDE= -4.402277 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.034077 tlogG= -0.618736 logG= -0.652814 Density= 3.413096 ETOT(band)= -1.572556 trlgG= -2.233005 logG= -0.652814 TDE= -4.402280 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.033554 tlogG= -0.624327 logG= -0.657881 Density= 3.400969 ETOT(band)= -1.586602 trlgG= -2.250229 logG= -0.657881 TDE= -4.404410 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.033821 tlogG= -0.621399 logG= -0.655219 Density= 3.407525 ETOT(band)= -1.578792 trlgG= -2.240234 logG= -0.655219 TDE= -4.402497 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034252 tlogG= -0.615371 logG= -0.649622 Density= 3.418199 ETOT(band)= -1.565841 trlgG= -2.223383 logG= -0.649622 TDE= -4.400069 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.033862 tlogG= -0.628331 logG= -0.662193 Density= 3.410921 ETOT(band)= -1.581498 trlgG= -2.251357 logG= -0.662193 TDE= -4.409456 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.034397 tlogG= -0.617026 logG= -0.651423 Density= 3.419667 ETOT(band)= -1.565957 trlgG= -2.226078 logG= -0.651423 TDE= -4.402178 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.033922 tlogG= -0.619154 logG= -0.653076 Density= 3.410465 ETOT(band)= -1.574973 trlgG= -2.235172 logG= -0.653076 TDE= -4.402010 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.034046 tlogG= -0.618845 logG= -0.652891 Density= 3.413665 ETOT(band)= -1.572008 trlgG= -2.232251 logG= -0.652891 TDE= -4.401920 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.034180 tlogG= -0.618459 logG= -0.652639 Density= 3.416702 ETOT(band)= -1.569284 trlgG= -2.229786 logG= -0.652639 TDE= -4.402218 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.033913 tlogG= -0.623368 logG= -0.657280 Density= 3.410467 ETOT(band)= -1.578057 trlgG= -2.242513 logG= -0.657280 TDE= -4.405148 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.033742 tlogG= -0.621834 logG= -0.655576 Density= 3.404204 ETOT(band)= -1.581889 trlgG= -2.242926 logG= -0.655576 TDE= -4.402087 logGD-logG0= -0.034086 tlogG= -0.620774 logG= -0.654859 Density= 3.411460 ETOT(band)= -1.575341 trlgG= -2.237327 logG= -0.654859 TDE= -4.403204 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.033788 tlogG= -0.626597 logG= -0.660385 Density= 3.409123 ETOT(band)= -1.581695 trlgG= -2.249386 logG= -0.660385 TDE= -4.407806 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Sum of eigenvalues= -1028.85690575745 eV TrLogG= -1458.69617990865 eV Ratio to renormalize= 1.001462257543 rho-rho_expected=-0.239460084795 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 1) Finished k-point number 2 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 29) Finished k-point number 30 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 28) Finished k-point number 29 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 24) Finished k-point number 25 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.804603610102159 0.804367778926434 0.804215464515127 0.804206368799833 0.804874466296654 0.804182006377863 0.804892318515773 0.804245108978548 0.804322406563374 0.804818745519194 0.804421743916282 0.804216910742413 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.033701 tlogG= -0.621761 logG= -0.655462 Density= 3.404584 ETOT(band)= -1.581681 trlgG= -2.243166 logG= -0.655462 TDE= -4.402756 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034158 tlogG= -0.615498 logG= -0.649657 Density= 3.416650 ETOT(band)= -1.567210 trlgG= -2.224717 logG= -0.649657 TDE= -4.400089 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.033783 tlogG= -0.621562 logG= -0.655345 Density= 3.406564 ETOT(band)= -1.579831 trlgG= -2.241273 logG= -0.655345 TDE= -4.402617 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.034079 tlogG= -0.618710 logG= -0.652789 Density= 3.413109 ETOT(band)= -1.572537 trlgG= -2.232962 logG= -0.652789 TDE= -4.402273 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.033678 tlogG= -0.623975 logG= -0.657652 Density= 3.403667 ETOT(band)= -1.583976 trlgG= -2.247355 logG= -0.657652 TDE= -4.403996 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.033640 tlogG= -0.624811 logG= -0.658451 Density= 3.403624 ETOT(band)= -1.584713 trlgG= -2.249213 logG= -0.658451 TDE= -4.405020 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034047 tlogG= -0.620901 logG= -0.654948 Density= 3.410256 ETOT(band)= -1.576526 trlgG= -2.238455 logG= -0.654948 TDE= -4.403248 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.033570 tlogG= -0.628866 logG= -0.662436 Density= 3.403786 ETOT(band)= -1.587543 trlgG= -2.256369 logG= -0.662436 TDE= -4.408324 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=128 logGD-logG0= -0.033609 tlogG= -0.626900 logG= -0.660509 Density= 3.403541 ETOT(band)= -1.586287 trlgG= -2.252906 logG= -0.660509 TDE= -4.406586 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034423 tlogG= -0.614905 logG= -0.649328 Density= 3.423373 ETOT(band)= -1.561421 trlgG= -2.219816 logG= -0.649328 TDE= -4.401074 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033865 tlogG= -0.623587 logG= -0.657453 Density= 3.409276 ETOT(band)= -1.579390 trlgG= -2.244028 logG= -0.657453 TDE= -4.405506 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033702 tlogG= -0.623968 logG= -0.657670 Density= 3.405906 ETOT(band)= -1.582357 trlgG= -2.246600 logG= -0.657670 TDE= -4.405075 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034027 tlogG= -0.626061 logG= -0.660088 Density= 3.412281 ETOT(band)= -1.578854 trlgG= -2.246886 logG= -0.660088 TDE= -4.408214 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.033574 tlogG= -0.622253 logG= -0.655827 Density= 3.400490 ETOT(band)= -1.585487 trlgG= -2.246887 logG= -0.655827 TDE= -4.402727 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.034147 tlogG= -0.627702 logG= -0.661850 Density= 3.413506 ETOT(band)= -1.579071 trlgG= -2.249252 logG= -0.661850 TDE= -4.409831 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.033914 tlogG= -0.623341 logG= -0.657255 Density= 3.410479 ETOT(band)= -1.578039 trlgG= -2.242470 logG= -0.657255 TDE= -4.405141 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.034034 tlogG= -0.623896 logG= -0.657929 Density= 3.410936 ETOT(band)= -1.578234 trlgG= -2.243693 logG= -0.657929 TDE= -4.406067 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.033880 tlogG= -0.621353 logG= -0.655232 Density= 3.408355 ETOT(band)= -1.578379 trlgG= -2.240217 logG= -0.655232 TDE= -4.403154 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.034087 tlogG= -0.620747 logG= -0.654834 Density= 3.411472 ETOT(band)= -1.575323 trlgG= -2.237285 logG= -0.654834 TDE= -4.403197 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.033763 tlogG= -0.621727 logG= -0.655490 Density= 3.406026 ETOT(band)= -1.580563 trlgG= -2.242272 logG= -0.655490 TDE= -4.403026 logGD-logG0= -0.033792 tlogG= -0.623680 logG= -0.657472 Density= 3.407731 ETOT(band)= -1.580482 trlgG= -2.244553 logG= -0.657472 TDE= -4.404734 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.035224 tlogG= -0.610989 logG= -0.646213 Density= 3.433710 ETOT(band)= -1.550416 trlgG= -2.207270 logG= -0.646213 TDE= -4.400191 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.033781 tlogG= -0.621595 logG= -0.655376 Density= 3.406012 ETOT(band)= -1.580211 trlgG= -2.241413 logG= -0.655376 TDE= -4.402269 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.034182 tlogG= -0.618433 logG= -0.652614 Density= 3.416716 ETOT(band)= -1.569265 trlgG= -2.229743 logG= -0.652614 TDE= -4.402212 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.033822 tlogG= -0.621372 logG= -0.655194 Density= 3.407538 ETOT(band)= -1.578773 trlgG= -2.240190 logG= -0.655194 TDE= -4.402490 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.033977 tlogG= -0.618045 logG= -0.652022 Density= 3.412190 ETOT(band)= -1.572662 trlgG= -2.231779 logG= -0.652022 TDE= -4.401097 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.033663 tlogG= -0.621996 logG= -0.655659 Density= 3.403544 ETOT(band)= -1.582783 trlgG= -2.244351 logG= -0.655659 TDE= -4.402883 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.034051 tlogG= -0.625963 logG= -0.660014 Density= 3.412772 ETOT(band)= -1.578312 trlgG= -2.246271 logG= -0.660014 TDE= -4.408079 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.034190 tlogG= -0.617525 logG= -0.651716 Density= 3.416764 ETOT(band)= -1.568631 trlgG= -2.228503 logG= -0.651716 TDE= -4.401909 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033789 tlogG= -0.626570 logG= -0.660360 Density= 3.409136 ETOT(band)= -1.581677 trlgG= -2.249343 logG= -0.660360 TDE= -4.407798 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.033764 tlogG= -0.619517 logG= -0.653280 Density= 3.406180 ETOT(band)= -1.578702 trlgG= -2.238215 logG= -0.653280 TDE= -4.401306 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.033921 tlogG= -0.619185 logG= -0.653106 Density= 3.410251 ETOT(band)= -1.575025 trlgG= -2.234587 logG= -0.653106 TDE= -4.401219 logGD-logG0= -0.033556 tlogG= -0.624301 logG= -0.657856 Density= 3.400980 ETOT(band)= -1.586585 trlgG= -2.250187 logG= -0.657856 TDE= -4.404402 logGD-logG0= -0.033744 tlogG= -0.621808 logG= -0.655551 Density= 3.404217 ETOT(band)= -1.581871 trlgG= -2.242882 logG= -0.655551 TDE= -4.402079 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.033839 tlogG= -0.624362 logG= -0.658201 Density= 3.408183 ETOT(band)= -1.580752 trlgG= -2.245853 logG= -0.658201 TDE= -4.405679 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.033827 tlogG= -0.626446 logG= -0.660273 Density= 3.409859 ETOT(band)= -1.580927 trlgG= -2.248514 logG= -0.660273 TDE= -4.407654 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.034398 tlogG= -0.617000 logG= -0.651398 Density= 3.419680 ETOT(band)= -1.565937 trlgG= -2.226035 logG= -0.651398 TDE= -4.402171 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.034509 tlogG= -0.614752 logG= -0.649261 Density= 3.424735 ETOT(band)= -1.560190 trlgG= -2.218589 logG= -0.649261 TDE= -4.401041 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.034678 tlogG= -0.614281 logG= -0.648959 Density= 3.426566 ETOT(band)= -1.558456 trlgG= -2.217048 logG= -0.648959 TDE= -4.401316 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.033941 tlogG= -0.621175 logG= -0.655116 Density= 3.409631 ETOT(band)= -1.577111 trlgG= -2.238919 logG= -0.655116 TDE= -4.403028 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.033923 tlogG= -0.619128 logG= -0.653051 Density= 3.410478 ETOT(band)= -1.574954 trlgG= -2.235129 logG= -0.653051 TDE= -4.402003 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034532 tlogG= -0.612507 logG= -0.647040 Density= 3.422599 ETOT(band)= -1.560251 trlgG= -2.216074 logG= -0.647040 TDE= -4.398981 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.034253 tlogG= -0.615344 logG= -0.649597 Density= 3.418213 ETOT(band)= -1.565822 trlgG= -2.223340 logG= -0.649597 TDE= -4.400063 logGD-logG0= -0.033556 tlogG= -0.627040 logG= -0.660595 Density= 3.402397 ETOT(band)= -1.587397 trlgG= -2.254062 logG= -0.660595 TDE= -4.406710 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.034766 tlogG= -0.614142 logG= -0.648908 Density= 3.427958 ETOT(band)= -1.557223 trlgG= -2.215844 logG= -0.648908 TDE= -4.401315 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.034886 tlogG= -0.611786 logG= -0.646672 Density= 3.430606 ETOT(band)= -1.553407 trlgG= -2.210106 logG= -0.646672 TDE= -4.400002 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.034048 tlogG= -0.618818 logG= -0.652866 Density= 3.413679 ETOT(band)= -1.571988 trlgG= -2.232208 logG= -0.652866 TDE= -4.401913 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.033864 tlogG= -0.628304 logG= -0.662168 Density= 3.410933 ETOT(band)= -1.581481 trlgG= -2.251315 logG= -0.662168 TDE= -4.409449 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 Sum of eigenvalues= -1028.84488915616 eV TrLogG= -1458.67505808488 eV Ratio to renormalize= 1.001458576643 rho-rho_expected=-0.238858176446 nargs= 1 argi=dmft2.def 31) Finished k-point number 32 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 19) Finished k-point number 20 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 4) Finished k-point number 5 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.804446618010981 0.804441771092181 0.804346109118088 0.804044901916724 0.804951057352880 0.804308298232006 0.804739100510346 0.804315060746091 0.804451218953058 0.804662939146531 0.804496156039749 0.804346923390022 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.034051 tlogG= -0.618437 logG= -0.652488 Density= 3.411199 ETOT(band)= -1.572465 trlgG= -2.232101 logG= -0.652488 TDE= -4.400134 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.033727 tlogG= -0.617211 logG= -0.650938 Density= 3.405803 ETOT(band)= -1.575934 trlgG= -2.233135 logG= -0.650938 TDE= -4.398257 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033533 tlogG= -0.626578 logG= -0.660111 Density= 3.403385 ETOT(band)= -1.584816 trlgG= -2.251344 logG= -0.660111 TDE= -4.405293 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=129 logGD-logG0= -0.033603 tlogG= -0.622516 logG= -0.656119 Density= 3.403238 ETOT(band)= -1.581965 trlgG= -2.244175 logG= -0.656119 TDE= -4.401995 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.034145 tlogG= -0.616116 logG= -0.650261 Density= 3.416500 ETOT(band)= -1.566351 trlgG= -2.224500 logG= -0.650261 TDE= -4.399143 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.033641 tlogG= -0.621675 logG= -0.655316 Density= 3.403266 ETOT(band)= -1.581238 trlgG= -2.242319 logG= -0.655316 TDE= -4.400964 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.034153 tlogG= -0.615209 logG= -0.649362 Density= 3.416517 ETOT(band)= -1.565742 trlgG= -2.223281 logG= -0.649362 TDE= -4.398837 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.034010 tlogG= -0.618594 logG= -0.652604 Density= 3.409970 ETOT(band)= -1.573682 trlgG= -2.233289 logG= -0.652604 TDE= -4.400190 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.033991 tlogG= -0.623764 logG= -0.657755 Density= 3.412107 ETOT(band)= -1.575931 trlgG= -2.241661 logG= -0.657755 TDE= -4.405178 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034113 tlogG= -0.625405 logG= -0.659518 Density= 3.413376 ETOT(band)= -1.576114 trlgG= -2.243996 logG= -0.659518 TDE= -4.406800 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.033664 tlogG= -0.619460 logG= -0.653124 Density= 3.404201 ETOT(band)= -1.578923 trlgG= -2.238104 logG= -0.653124 TDE= -4.399715 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.033755 tlogG= -0.621379 logG= -0.655134 Density= 3.407391 ETOT(band)= -1.577688 trlgG= -2.239448 logG= -0.655134 TDE= -4.401686 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.034386 tlogG= -0.612582 logG= -0.646968 Density= 3.423168 ETOT(band)= -1.558489 trlgG= -2.214544 logG= -0.646968 TDE= -4.397994 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034122 tlogG= -0.613179 logG= -0.647301 Density= 3.416369 ETOT(band)= -1.564348 trlgG= -2.219516 logG= -0.647301 TDE= -4.397011 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.033828 tlogG= -0.621289 logG= -0.655116 Density= 3.408990 ETOT(band)= -1.576554 trlgG= -2.238883 logG= -0.655116 TDE= -4.402461 logGD-logG0= -0.033572 tlogG= -0.624608 logG= -0.658180 Density= 3.403139 ETOT(band)= -1.583557 trlgG= -2.247874 logG= -0.658180 TDE= -4.403551 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.034011 tlogG= -0.616504 logG= -0.650515 Density= 3.413422 ETOT(band)= -1.569110 trlgG= -2.227003 logG= -0.650515 TDE= -4.398848 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.034473 tlogG= -0.612426 logG= -0.646899 Density= 3.424555 ETOT(band)= -1.557236 trlgG= -2.213294 logG= -0.646899 TDE= -4.397960 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.033538 tlogG= -0.619955 logG= -0.653493 Density= 3.400137 ETOT(band)= -1.582711 trlgG= -2.241833 logG= -0.653493 TDE= -4.399714 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.033724 tlogG= -0.619426 logG= -0.653151 Density= 3.405647 ETOT(band)= -1.577800 trlgG= -2.237194 logG= -0.653151 TDE= -4.399974 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.033997 tlogG= -0.621593 logG= -0.655591 Density= 3.410689 ETOT(band)= -1.575364 trlgG= -2.238515 logG= -0.655591 TDE= -4.403023 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.033827 tlogG= -0.626011 logG= -0.659838 Density= 3.410728 ETOT(band)= -1.578588 trlgG= -2.246125 logG= -0.659838 TDE= -4.406418 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.033940 tlogG= -0.615733 logG= -0.649673 Density= 3.411872 ETOT(band)= -1.569836 trlgG= -2.226632 logG= -0.649673 TDE= -4.398037 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.033785 tlogG= -0.619064 logG= -0.652849 Density= 3.407174 ETOT(band)= -1.575991 trlgG= -2.235089 logG= -0.652849 TDE= -4.399432 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.033707 tlogG= -0.619501 logG= -0.653209 Density= 3.403819 ETOT(band)= -1.579122 trlgG= -2.237828 logG= -0.653209 TDE= -4.399038 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.033877 tlogG= -0.621037 logG= -0.654915 Density= 3.410213 ETOT(band)= -1.575181 trlgG= -2.237303 logG= -0.654915 TDE= -4.402094 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034015 tlogG= -0.623663 logG= -0.657679 Density= 3.412606 ETOT(band)= -1.575380 trlgG= -2.241037 logG= -0.657679 TDE= -4.405043 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.033904 tlogG= -0.618868 logG= -0.652771 Density= 3.409343 ETOT(band)= -1.574268 trlgG= -2.233758 logG= -0.652771 TDE= -4.399973 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.033790 tlogG= -0.624150 logG= -0.657940 Density= 3.409601 ETOT(band)= -1.578072 trlgG= -2.243358 logG= -0.657940 TDE= -4.404618 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.033802 tlogG= -0.622064 logG= -0.655865 Density= 3.407890 ETOT(band)= -1.577923 trlgG= -2.240717 logG= -0.655865 TDE= -4.402637 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034731 tlogG= -0.611811 logG= -0.646542 Density= 3.427811 ETOT(band)= -1.554238 trlgG= -2.210517 logG= -0.646542 TDE= -4.398231 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.033519 tlogG= -0.624750 logG= -0.658269 Density= 3.401999 ETOT(band)= -1.584666 trlgG= -2.249034 logG= -0.658269 TDE= -4.403680 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.033520 tlogG= -0.622007 logG= -0.655527 Density= 3.400604 ETOT(band)= -1.583833 trlgG= -2.245146 logG= -0.655527 TDE= -4.401380 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.033752 tlogG= -0.624277 logG= -0.658029 Density= 3.408866 ETOT(band)= -1.578835 trlgG= -2.244200 logG= -0.658029 TDE= -4.404764 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.033626 tlogG= -0.619697 logG= -0.653323 Density= 3.403149 ETOT(band)= -1.580038 trlgG= -2.239305 logG= -0.653323 TDE= -4.399848 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.034362 tlogG= -0.614680 logG= -0.649041 Density= 3.419454 ETOT(band)= -1.563028 trlgG= -2.220790 logG= -0.649041 TDE= -4.399095 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.035190 tlogG= -0.608647 logG= -0.643837 Density= 3.433583 ETOT(band)= -1.547403 trlgG= -2.201905 logG= -0.643837 TDE= -4.397097 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.033746 tlogG= -0.619257 logG= -0.653003 Density= 3.406187 ETOT(band)= -1.577064 trlgG= -2.236195 logG= -0.653003 TDE= -4.399568 22) Finished k-point 23 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.033885 tlogG= -0.616820 logG= -0.650705 Density= 3.410166 ETOT(band)= -1.572128 trlgG= -2.229977 logG= -0.650705 TDE= -4.398939 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.034041 tlogG= -0.616399 logG= -0.650440 Density= 3.412832 ETOT(band)= -1.569678 trlgG= -2.227775 logG= -0.650440 TDE= -4.399206 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.034217 tlogG= -0.613022 logG= -0.647239 Density= 3.417957 ETOT(band)= -1.562935 trlgG= -2.218114 logG= -0.647239 TDE= -4.396983 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.033884 tlogG= -0.616873 logG= -0.650757 Density= 3.409917 ETOT(band)= -1.572214 trlgG= -2.229459 logG= -0.650757 TDE= -4.398163 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.033843 tlogG= -0.619049 logG= -0.652891 Density= 3.408055 ETOT(band)= -1.575549 trlgG= -2.235076 logG= -0.652891 TDE= -4.400106 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.034498 tlogG= -0.610177 logG= -0.644675 Density= 3.422331 ETOT(band)= -1.557366 trlgG= -2.210842 logG= -0.644675 TDE= -4.395892 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.034642 tlogG= -0.611953 logG= -0.646595 Density= 3.426397 ETOT(band)= -1.555491 trlgG= -2.211741 logG= -0.646595 TDE= -4.398233 logGD-logG0= -0.033664 tlogG= -0.621672 logG= -0.655336 Density= 3.405549 ETOT(band)= -1.579583 trlgG= -2.241518 logG= -0.655336 TDE= -4.402031 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.034851 tlogG= -0.609450 logG= -0.644301 Density= 3.430441 ETOT(band)= -1.550431 trlgG= -2.204782 logG= -0.644301 TDE= -4.396911 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.033744 tlogG= -0.619288 logG= -0.653032 Density= 3.405622 ETOT(band)= -1.577453 trlgG= -2.236347 logG= -0.653032 TDE= -4.399224 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 Sum of eigenvalues= -1026.98905974206 eV TrLogG= -1455.15027498711 eV Ratio to renormalize= 1.001543632890 rho-rho_expected=-0.252765616583 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 47) Finished k-point number 48 1 with #bands= 104 30) Finished k-point number 31 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.804645117602701 0.804643146962736 0.804548288475015 0.804244368535684 0.805151592993049 0.804509760092656 0.804937007660522 0.804516911212123 0.804652852992082 0.804860725339777 0.804698047140285 0.804548822180871 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.036239 tlogG= -0.613199 logG= -0.649438 Density= 3.417346 ETOT(band)= -1.563902 trlgG= -2.221703 logG= -0.649438 TDE= -4.397869 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.035910 tlogG= -0.619432 logG= -0.655343 Density= 3.410709 ETOT(band)= -1.574111 trlgG= -2.236015 logG= -0.655343 TDE= -4.400787 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036061 tlogG= -0.623763 logG= -0.659824 Density= 3.413548 ETOT(band)= -1.575050 trlgG= -2.243354 logG= -0.659824 TDE= -4.405993 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.035864 tlogG= -0.619469 logG= -0.655333 Density= 3.410378 ETOT(band)= -1.574327 trlgG= -2.236018 logG= -0.655333 TDE= -4.400527 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.035774 tlogG= -0.624610 logG= -0.660384 Density= 3.409508 ETOT(band)= -1.578806 trlgG= -2.245625 logG= -0.660384 TDE= -4.404364 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.035755 tlogG= -0.619962 logG= -0.655717 Density= 3.408251 ETOT(band)= -1.576527 trlgG= -2.238126 logG= -0.655717 TDE= -4.400492 logGD-logG0= -0.036431 tlogG= -0.612601 logG= -0.649032 Density= 3.420599 ETOT(band)= -1.560849 trlgG= -2.219591 logG= -0.649032 TDE= -4.398853 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.035723 tlogG= -0.626575 logG= -0.662299 Density= 3.409206 ETOT(band)= -1.580503 trlgG= -2.249533 logG= -0.662299 TDE= -4.406108 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.035937 tlogG= -0.621387 logG= -0.657324 Density= 3.411786 ETOT(band)= -1.574528 trlgG= -2.238820 logG= -0.657324 TDE= -4.402503 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.036257 tlogG= -0.615225 logG= -0.651482 Density= 3.417087 ETOT(band)= -1.565625 trlgG= -2.225787 logG= -0.651482 TDE= -4.399695 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.035965 tlogG= -0.621292 logG= -0.657257 Density= 3.411960 ETOT(band)= -1.574509 trlgG= -2.239384 logG= -0.657257 TDE= -4.403277 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035803 tlogG= -0.622520 logG= -0.658323 Density= 3.409631 ETOT(band)= -1.577187 trlgG= -2.241889 logG= -0.658323 TDE= -4.402791 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036254 tlogG= -0.616132 logG= -0.652386 Density= 3.417036 ETOT(band)= -1.566263 trlgG= -2.227033 logG= -0.652386 TDE= -4.399994 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036165 tlogG= -0.616410 logG= -0.652575 Density= 3.414854 ETOT(band)= -1.568402 trlgG= -2.229092 logG= -0.652575 TDE= -4.400060 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036058 tlogG= -0.618879 logG= -0.654936 Density= 3.413340 ETOT(band)= -1.571402 trlgG= -2.233450 logG= -0.654936 TDE= -4.400805 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035930 tlogG= -0.626009 logG= -0.661938 Density= 3.412481 ETOT(band)= -1.577485 trlgG= -2.247590 logG= -0.661938 TDE= -4.407233 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.036103 tlogG= -0.615748 logG= -0.651851 Density= 3.414703 ETOT(band)= -1.567938 trlgG= -2.227312 logG= -0.651851 TDE= -4.398879 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036139 tlogG= -0.625402 logG= -0.661541 Density= 3.414505 ETOT(band)= -1.575440 trlgG= -2.245900 logG= -0.661541 TDE= -4.407614 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.037037 tlogG= -0.608672 logG= -0.645709 Density= 3.428665 ETOT(band)= -1.551460 trlgG= -2.208700 logG= -0.645709 TDE= -4.397954 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.036090 tlogG= -0.621597 logG= -0.657687 Density= 3.413448 ETOT(band)= -1.573445 trlgG= -2.239145 logG= -0.657687 TDE= -4.403839 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.036015 tlogG= -0.621045 logG= -0.657061 Density= 3.413022 ETOT(band)= -1.573265 trlgG= -2.237943 logG= -0.657061 TDE= -4.402910 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.035949 tlogG= -0.619269 logG= -0.655218 Density= 3.411743 ETOT(band)= -1.572982 trlgG= -2.234635 logG= -0.655218 TDE= -4.400388 logGD-logG0= -0.036414 tlogG= -0.614694 logG= -0.651108 Density= 3.418904 ETOT(band)= -1.563769 trlgG= -2.224169 logG= -0.651108 TDE= -4.399953 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036164 tlogG= -0.618447 logG= -0.654611 Density= 3.414571 ETOT(band)= -1.570074 trlgG= -2.232278 logG= -0.654611 TDE= -4.400976 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.035887 tlogG= -0.624277 logG= -0.660164 Density= 3.411564 ETOT(band)= -1.577004 trlgG= -2.244920 logG= -0.660164 TDE= -4.405579 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036525 tlogG= -0.610203 logG= -0.646728 Density= 3.421745 ETOT(band)= -1.558094 trlgG= -2.214239 logG= -0.646728 TDE= -4.396752 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036503 tlogG= -0.612447 logG= -0.648950 Density= 3.421774 ETOT(band)= -1.559748 trlgG= -2.218504 logG= -0.648950 TDE= -4.398819 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.035717 tlogG= -0.624750 logG= -0.660467 Density= 3.408663 ETOT(band)= -1.579667 trlgG= -2.246532 logG= -0.660467 TDE= -4.404490 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.035830 tlogG= -0.619704 logG= -0.655534 Density= 3.409610 ETOT(band)= -1.575215 trlgG= -2.236971 logG= -0.655534 TDE= -4.400645 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036690 tlogG= -0.611832 logG= -0.648523 Density= 3.424162 ETOT(band)= -1.557382 trlgG= -2.216372 logG= -0.648523 TDE= -4.399089 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.035945 tlogG= -0.622068 logG= -0.658013 Density= 3.411827 ETOT(band)= -1.575090 trlgG= -2.240425 logG= -0.658013 TDE= -4.403452 logGD-logG0= -0.035925 tlogG= -0.624152 logG= -0.660076 Density= 3.412158 ETOT(band)= -1.576354 trlgG= -2.244196 logG= -0.660076 TDE= -4.405433 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.035863 tlogG= -0.621684 logG= -0.657547 Density= 3.410332 ETOT(band)= -1.575933 trlgG= -2.239504 logG= -0.657547 TDE= -4.401761 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036621 tlogG= -0.611972 logG= -0.648593 Density= 3.422895 ETOT(band)= -1.558538 trlgG= -2.217493 logG= -0.648593 TDE= -4.399091 logGD-logG0= -0.035843 tlogG= -0.621675 logG= -0.657518 Density= 3.410315 ETOT(band)= -1.576118 trlgG= -2.240576 logG= -0.657518 TDE= -4.402847 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036078 tlogG= -0.616890 logG= -0.652968 Density= 3.414020 ETOT(band)= -1.569313 trlgG= -2.229110 logG= -0.652968 TDE= -4.398996 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.035982 tlogG= -0.619077 logG= -0.655059 Density= 3.412170 ETOT(band)= -1.572365 trlgG= -2.233991 logG= -0.655059 TDE= -4.400257 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036046 tlogG= -0.616831 logG= -0.652877 Density= 3.413420 ETOT(band)= -1.569888 trlgG= -2.230311 logG= -0.652877 TDE= -4.399791 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.035926 tlogG= -0.617222 logG= -0.653148 Density= 3.411421 ETOT(band)= -1.571799 trlgG= -2.231533 logG= -0.653148 TDE= -4.399089 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.035945 tlogG= -0.619515 logG= -0.655460 Density= 3.411257 ETOT(band)= -1.573527 trlgG= -2.234724 logG= -0.655460 TDE= -4.399832 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.036082 tlogG= -0.623665 logG= -0.659747 Density= 3.413993 ETOT(band)= -1.574539 trlgG= -2.242773 logG= -0.659747 TDE= -4.405858 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036125 tlogG= -0.618602 logG= -0.654727 Density= 3.413653 ETOT(band)= -1.571039 trlgG= -2.233198 logG= -0.654727 TDE= -4.401021 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.035729 tlogG= -0.622011 logG= -0.657739 Density= 3.408232 ETOT(band)= -1.578045 trlgG= -2.241845 logG= -0.657739 TDE= -4.402174 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.036780 tlogG= -0.609475 logG= -0.646255 Density= 3.425914 ETOT(band)= -1.554244 trlgG= -2.211337 logG= -0.646255 TDE= -4.397769 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.035961 tlogG= -0.619301 logG= -0.655262 Density= 3.411697 ETOT(band)= -1.572961 trlgG= -2.234355 logG= -0.655262 TDE= -4.400026 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036164 tlogG= -0.616521 logG= -0.652684 Density= 3.415576 ETOT(band)= -1.567757 trlgG= -2.228240 logG= -0.652684 TDE= -4.399696 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.036320 tlogG= -0.613044 logG= -0.649364 Density= 3.418622 ETOT(band)= -1.562726 trlgG= -2.220547 logG= -0.649364 TDE= -4.397842 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.035996 tlogG= -0.619057 logG= -0.655053 Density= 3.412317 ETOT(band)= -1.572464 trlgG= -2.234532 logG= -0.655053 TDE= -4.400924 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1025.70128696462 eV TrLogG= -1457.08687350090 eV Ratio to renormalize= 1.000704046604 rho-rho_expected=-0.115382408474 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 36) Finished k-point number 37 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.804515382330134 0.804548768602456 0.804457495286467 0.804113372513489 0.805058084571431 0.804418970362230 0.804807902984826 0.804422021538016 0.804562090718844 0.804731256364308 0.804603570357763 0.804458200823964 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.035811 tlogG= -0.621374 logG= -0.657185 Density= 3.410108 ETOT(band)= -1.575510 trlgG= -2.239632 logG= -0.657185 TDE= -4.402065 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.035771 tlogG= -0.622219 logG= -0.657991 Density= 3.409417 ETOT(band)= -1.576586 trlgG= -2.240966 logG= -0.657991 TDE= -4.402023 logGD-logG0= -0.036224 tlogG= -0.614921 logG= -0.651145 Density= 3.416850 ETOT(band)= -1.565036 trlgG= -2.224839 logG= -0.651145 TDE= -4.398888 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036106 tlogG= -0.625103 logG= -0.661209 Density= 3.414332 ETOT(band)= -1.574804 trlgG= -2.244932 logG= -0.661209 TDE= -4.406834 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.036025 tlogG= -0.618576 logG= -0.654601 Density= 3.413124 ETOT(band)= -1.570799 trlgG= -2.232502 logG= -0.654601 TDE= -4.400014 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.035905 tlogG= -0.621085 logG= -0.656990 Density= 3.411573 ETOT(band)= -1.573924 trlgG= -2.237880 logG= -0.656990 TDE= -4.401721 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.035914 tlogG= -0.619211 logG= -0.655125 Density= 3.411039 ETOT(band)= -1.572926 trlgG= -2.233800 logG= -0.655125 TDE= -4.399064 logGD-logG0= -0.035692 tlogG= -0.626277 logG= -0.661969 Density= 3.408988 ETOT(band)= -1.579907 trlgG= -2.248604 logG= -0.661969 TDE= -4.405329 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=126 logGD-logG0= -0.036014 tlogG= -0.616528 logG= -0.652542 Density= 3.413194 ETOT(band)= -1.569292 trlgG= -2.229359 logG= -0.652542 TDE= -4.398988 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036206 tlogG= -0.612894 logG= -0.649100 Density= 3.417100 ETOT(band)= -1.563319 trlgG= -2.220761 logG= -0.649100 TDE= -4.397061 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036131 tlogG= -0.618145 logG= -0.654276 Density= 3.414358 ETOT(band)= -1.569468 trlgG= -2.231321 logG= -0.654276 TDE= -4.400178 logGD-logG0= -0.036287 tlogG= -0.612739 logG= -0.649026 Density= 3.418381 ETOT(band)= -1.562139 trlgG= -2.219600 logG= -0.649026 TDE= -4.397034 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.035897 tlogG= -0.625710 logG= -0.661607 Density= 3.412286 ETOT(band)= -1.576868 trlgG= -2.246641 logG= -0.661607 TDE= -4.406454 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.035724 tlogG= -0.619659 logG= -0.655383 Density= 3.408051 ETOT(band)= -1.575914 trlgG= -2.237201 logG= -0.655383 TDE= -4.399736 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.035743 tlogG= -0.624310 logG= -0.660053 Density= 3.409291 ETOT(band)= -1.578207 trlgG= -2.244694 logG= -0.660053 TDE= -4.403585 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.035832 tlogG= -0.621381 logG= -0.657213 Density= 3.410115 ETOT(band)= -1.575332 trlgG= -2.238580 logG= -0.657213 TDE= -4.400992 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.035933 tlogG= -0.620991 logG= -0.656924 Density= 3.411760 ETOT(band)= -1.573894 trlgG= -2.238434 logG= -0.656924 TDE= -4.402496 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035855 tlogG= -0.623977 logG= -0.659832 Density= 3.411363 ETOT(band)= -1.576392 trlgG= -2.243975 logG= -0.659832 TDE= -4.404799 logGD-logG0= -0.035964 tlogG= -0.618755 logG= -0.654719 Density= 3.412105 ETOT(band)= -1.571859 trlgG= -2.233590 logG= -0.654719 TDE= -4.400141 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036070 tlogG= -0.615445 logG= -0.651515 Density= 3.414465 ETOT(band)= -1.567351 trlgG= -2.226376 logG= -0.651515 TDE= -4.398082 logGD-logG0= -0.036380 tlogG= -0.614391 logG= -0.650771 Density= 3.418671 ETOT(band)= -1.563176 trlgG= -2.223218 logG= -0.650771 TDE= -4.399146 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.035917 tlogG= -0.618966 logG= -0.654883 Density= 3.411520 ETOT(band)= -1.572385 trlgG= -2.233701 logG= -0.654883 TDE= -4.399604 22) Finished k-point 23 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035833 tlogG= -0.619166 logG= -0.654999 Density= 3.410160 ETOT(band)= -1.573728 trlgG= -2.235085 logG= -0.654999 TDE= -4.399748 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035878 tlogG= -0.619130 logG= -0.655009 Density= 3.410499 ETOT(band)= -1.573504 trlgG= -2.235072 logG= -0.655009 TDE= -4.400006 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.035929 tlogG= -0.618998 logG= -0.654927 Density= 3.411478 ETOT(band)= -1.572361 trlgG= -2.233427 logG= -0.654927 TDE= -4.399252 logGD-logG0= -0.035697 tlogG= -0.621709 logG= -0.657407 Density= 3.408028 ETOT(band)= -1.577437 trlgG= -2.240916 logG= -0.657407 TDE= -4.401408 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.036397 tlogG= -0.612296 logG= -0.648693 Density= 3.420352 ETOT(band)= -1.560264 trlgG= -2.218648 logG= -0.648693 TDE= -4.398044 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.036587 tlogG= -0.611667 logG= -0.648254 Density= 3.422658 ETOT(band)= -1.557944 trlgG= -2.216541 logG= -0.648254 TDE= -4.398283 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.036491 tlogG= -0.609897 logG= -0.646388 Density= 3.421502 ETOT(band)= -1.557506 trlgG= -2.213290 logG= -0.646388 TDE= -4.395942 logGD-logG0= -0.036028 tlogG= -0.623464 logG= -0.659492 Density= 3.413364 ETOT(band)= -1.574422 trlgG= -2.242393 logG= -0.659492 TDE= -4.405213 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036221 tlogG= -0.615828 logG= -0.652050 Density= 3.416803 ETOT(band)= -1.565670 trlgG= -2.226086 logG= -0.652050 TDE= -4.399191 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037002 tlogG= -0.608366 logG= -0.645368 Density= 3.428448 ETOT(band)= -1.550847 trlgG= -2.207729 logG= -0.645368 TDE= -4.397145 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036057 tlogG= -0.621297 logG= -0.657354 Density= 3.413253 ETOT(band)= -1.572826 trlgG= -2.238192 logG= -0.657354 TDE= -4.403058 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.036132 tlogG= -0.616107 logG= -0.652239 Density= 3.414629 ETOT(band)= -1.567805 trlgG= -2.228137 logG= -0.652239 TDE= -4.399256 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035950 tlogG= -0.618774 logG= -0.654724 Density= 3.411947 ETOT(band)= -1.571767 trlgG= -2.233052 logG= -0.654724 TDE= -4.399469 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036046 tlogG= -0.616585 logG= -0.652631 Density= 3.413791 ETOT(band)= -1.568719 trlgG= -2.228172 logG= -0.652631 TDE= -4.398204 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.035892 tlogG= -0.623852 logG= -0.659744 Density= 3.411955 ETOT(band)= -1.575743 trlgG= -2.243251 logG= -0.659744 TDE= -4.404653 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.035913 tlogG= -0.621767 logG= -0.657680 Density= 3.411624 ETOT(band)= -1.574479 trlgG= -2.239479 logG= -0.657680 TDE= -4.402671 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.035686 tlogG= -0.624450 logG= -0.660136 Density= 3.408451 ETOT(band)= -1.579066 trlgG= -2.245600 logG= -0.660136 TDE= -4.403713 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036131 tlogG= -0.616216 logG= -0.652348 Density= 3.415344 ETOT(band)= -1.567164 trlgG= -2.227294 logG= -0.652348 TDE= -4.398895 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.035894 tlogG= -0.616919 logG= -0.652813 Density= 3.411197 ETOT(band)= -1.571203 trlgG= -2.230592 logG= -0.652813 TDE= -4.398299 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036468 tlogG= -0.612142 logG= -0.648611 Density= 3.421531 ETOT(band)= -1.559160 trlgG= -2.217557 logG= -0.648611 TDE= -4.398010 logGD-logG0= -0.036050 tlogG= -0.623365 logG= -0.659415 Density= 3.413809 ETOT(band)= -1.573911 trlgG= -2.241813 logG= -0.659415 TDE= -4.405077 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035799 tlogG= -0.619401 logG= -0.655200 Density= 3.409402 ETOT(band)= -1.574607 trlgG= -2.236039 logG= -0.655200 TDE= -4.399875 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036656 tlogG= -0.611527 logG= -0.648183 Density= 3.423931 ETOT(band)= -1.556783 trlgG= -2.215415 logG= -0.648183 TDE= -4.398280 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.035983 tlogG= -0.620743 logG= -0.656727 Density= 3.412816 ETOT(band)= -1.572654 trlgG= -2.236997 logG= -0.656727 TDE= -4.402128 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036745 tlogG= -0.609170 logG= -0.645915 Density= 3.425679 ETOT(band)= -1.553647 trlgG= -2.210381 logG= -0.645915 TDE= -4.396960 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.036092 tlogG= -0.618300 logG= -0.654392 Density= 3.413445 ETOT(band)= -1.570429 trlgG= -2.232244 logG= -0.654392 TDE= -4.400229 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 Sum of eigenvalues= -1025.30768130008 eV TrLogG= -1456.35307710987 eV Ratio to renormalize= 1.000767726637 rho-rho_expected=-0.125810580349 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 35) Finished k-point number 36 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 11) Finished k-point number 12 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.804827876943715 0.804793175179514 0.804711381064013 0.804428195221496 0.805300849983786 0.804672305087155 0.805119076802743 0.804667258861677 0.804815660322213 0.805042899316989 0.804848567715665 0.804711631340209 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.035768 tlogG= -0.626709 logG= -0.662477 Density= 3.409508 ETOT(band)= -1.581005 trlgG= -2.250223 logG= -0.662477 TDE= -4.406869 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=128 logGD-logG0= -0.035874 tlogG= -0.619842 logG= -0.655716 Density= 3.409896 ETOT(band)= -1.575734 trlgG= -2.237664 logG= -0.655716 TDE= -4.401392 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.035818 tlogG= -0.624745 logG= -0.660564 Density= 3.409808 ETOT(band)= -1.579311 trlgG= -2.246318 logG= -0.660564 TDE= -4.405125 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036005 tlogG= -0.619440 logG= -0.655446 Density= 3.412002 ETOT(band)= -1.573467 trlgG= -2.235038 logG= -0.655446 TDE= -4.400777 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.035982 tlogG= -0.621524 logG= -0.657506 Density= 3.412083 ETOT(band)= -1.575039 trlgG= -2.239521 logG= -0.657506 TDE= -4.403267 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.035798 tlogG= -0.620101 logG= -0.655899 Density= 3.408524 ETOT(band)= -1.577056 trlgG= -2.238810 logG= -0.655899 TDE= -4.401221 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.036103 tlogG= -0.619016 logG= -0.655119 Density= 3.413644 ETOT(band)= -1.571909 trlgG= -2.234159 logG= -0.655119 TDE= -4.401583 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036479 tlogG= -0.612739 logG= -0.649218 Density= 3.420955 ETOT(band)= -1.561320 trlgG= -2.220283 logG= -0.649218 TDE= -4.399653 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.036010 tlogG= -0.621428 logG= -0.657438 Density= 3.412240 ETOT(band)= -1.575035 trlgG= -2.240098 logG= -0.657438 TDE= -4.404042 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.035847 tlogG= -0.622656 logG= -0.658503 Density= 3.409927 ETOT(band)= -1.577697 trlgG= -2.242570 logG= -0.658503 TDE= -4.403536 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035993 tlogG= -0.619407 logG= -0.655400 Density= 3.412052 ETOT(band)= -1.573483 trlgG= -2.235329 logG= -0.655400 TDE= -4.401155 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035976 tlogG= -0.626142 logG= -0.662117 Density= 3.412758 ETOT(band)= -1.578011 trlgG= -2.248302 logG= -0.662117 TDE= -4.407995 logGD-logG0= -0.035955 tlogG= -0.619570 logG= -0.655525 Density= 3.410999 ETOT(band)= -1.574628 trlgG= -2.236722 logG= -0.655525 TDE= -4.401552 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.035908 tlogG= -0.619606 logG= -0.655515 Density= 3.410679 ETOT(band)= -1.574834 trlgG= -2.236712 logG= -0.655515 TDE= -4.401288 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.036061 tlogG= -0.621182 logG= -0.657242 Density= 3.413313 ETOT(band)= -1.573782 trlgG= -2.238648 logG= -0.657242 TDE= -4.403674 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.035932 tlogG= -0.624411 logG= -0.660344 Density= 3.411847 ETOT(band)= -1.577525 trlgG= -2.245629 logG= -0.660344 TDE= -4.406342 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.036107 tlogG= -0.623897 logG= -0.660004 Density= 3.413809 ETOT(band)= -1.575590 trlgG= -2.244080 logG= -0.660004 TDE= -4.406756 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036136 tlogG= -0.621732 logG= -0.657868 Density= 3.413723 ETOT(band)= -1.573974 trlgG= -2.239861 logG= -0.657868 TDE= -4.404602 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.036128 tlogG= -0.623799 logG= -0.659927 Density= 3.414257 ETOT(band)= -1.575077 trlgG= -2.243498 logG= -0.659927 TDE= -4.406620 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035970 tlogG= -0.624287 logG= -0.660256 Density= 3.412443 ETOT(band)= -1.576874 trlgG= -2.244903 logG= -0.660256 TDE= -4.406196 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.036185 tlogG= -0.625534 logG= -0.661720 Density= 3.414754 ETOT(band)= -1.575990 trlgG= -2.246634 logG= -0.661720 TDE= -4.408375 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.036149 tlogG= -0.615887 logG= -0.652035 Density= 3.415040 ETOT(band)= -1.568420 trlgG= -2.228003 logG= -0.652035 TDE= -4.399664 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.035907 tlogG= -0.621822 logG= -0.657729 Density= 3.410631 ETOT(band)= -1.576441 trlgG= -2.240185 logG= -0.657729 TDE= -4.402508 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.036830 tlogG= -0.609613 logG= -0.646443 Density= 3.426256 ETOT(band)= -1.554731 trlgG= -2.212042 logG= -0.646443 TDE= -4.398569 logGD-logG0= -0.036092 tlogG= -0.616969 logG= -0.653061 Density= 3.413738 ETOT(band)= -1.570383 trlgG= -2.231027 logG= -0.653061 TDE= -4.400586 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036210 tlogG= -0.618584 logG= -0.654794 Density= 3.414873 ETOT(band)= -1.570583 trlgG= -2.232998 logG= -0.654794 TDE= -4.401763 logGD-logG0= -0.035772 tlogG= -0.622148 logG= -0.657920 Density= 3.408513 ETOT(band)= -1.578567 trlgG= -2.242537 logG= -0.657920 TDE= -4.402918 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=118 logGD-logG0= -0.035761 tlogG= -0.624885 logG= -0.660646 Density= 3.408956 ETOT(band)= -1.580177 trlgG= -2.247228 logG= -0.660646 TDE= -4.405248 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036461 tlogG= -0.614832 logG= -0.651293 Density= 3.419240 ETOT(band)= -1.564253 trlgG= -2.224875 logG= -0.651293 TDE= -4.400752 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.035990 tlogG= -0.622204 logG= -0.658194 Density= 3.412112 ETOT(band)= -1.575610 trlgG= -2.241133 logG= -0.658194 TDE= -4.404215 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036304 tlogG= -0.615362 logG= -0.651666 Density= 3.417425 ETOT(band)= -1.566108 trlgG= -2.226491 logG= -0.651666 TDE= -4.400494 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036170 tlogG= -0.618739 logG= -0.654909 Density= 3.413945 ETOT(band)= -1.571554 trlgG= -2.233918 logG= -0.654909 TDE= -4.401801 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.035989 tlogG= -0.619655 logG= -0.655644 Density= 3.411557 ETOT(band)= -1.574036 trlgG= -2.235403 logG= -0.655644 TDE= -4.400577 logGD-logG0= -0.035970 tlogG= -0.617361 logG= -0.653331 Density= 3.411733 ETOT(band)= -1.572299 trlgG= -2.232236 logG= -0.653331 TDE= -4.399867 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036286 tlogG= -0.613337 logG= -0.649623 Density= 3.417697 ETOT(band)= -1.564375 trlgG= -2.222399 logG= -0.649623 TDE= -4.398669 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036123 tlogG= -0.617029 logG= -0.653152 Density= 3.414343 ETOT(band)= -1.569806 trlgG= -2.229805 logG= -0.653152 TDE= -4.399773 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037088 tlogG= -0.608809 logG= -0.645898 Density= 3.428982 ETOT(band)= -1.551968 trlgG= -2.209426 logG= -0.645898 TDE= -4.398753 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.035887 tlogG= -0.621812 logG= -0.657699 Density= 3.410602 ETOT(band)= -1.576636 trlgG= -2.241284 logG= -0.657699 TDE= -4.403612 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036210 tlogG= -0.616659 logG= -0.652869 Density= 3.415907 ETOT(band)= -1.568245 trlgG= -2.228944 logG= -0.652869 TDE= -4.400488 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036670 tlogG= -0.612109 logG= -0.648779 Density= 3.423237 ETOT(band)= -1.559021 trlgG= -2.218195 logG= -0.648779 TDE= -4.399890 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.036041 tlogG= -0.619194 logG= -0.655235 Density= 3.412613 ETOT(band)= -1.572977 trlgG= -2.235236 logG= -0.655235 TDE= -4.401691 logGD-logG0= -0.036026 tlogG= -0.619215 logG= -0.655242 Density= 3.412483 ETOT(band)= -1.572864 trlgG= -2.234689 logG= -0.655242 TDE= -4.401030 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036740 tlogG= -0.611970 logG= -0.648710 Density= 3.424498 ETOT(band)= -1.557871 trlgG= -2.217080 logG= -0.648710 TDE= -4.399887 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.036211 tlogG= -0.616547 logG= -0.652758 Density= 3.415173 ETOT(band)= -1.568898 trlgG= -2.229808 logG= -0.652758 TDE= -4.400857 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036301 tlogG= -0.616270 logG= -0.652571 Density= 3.417371 ETOT(band)= -1.566748 trlgG= -2.227735 logG= -0.652571 TDE= -4.400788 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036551 tlogG= -0.612586 logG= -0.649136 Density= 3.422126 ETOT(band)= -1.560224 trlgG= -2.219199 logG= -0.649136 TDE= -4.399618 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036367 tlogG= -0.613183 logG= -0.649550 Density= 3.418968 ETOT(band)= -1.563204 trlgG= -2.221247 logG= -0.649550 TDE= -4.398641 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.036574 tlogG= -0.610341 logG= -0.646915 Density= 3.422094 ETOT(band)= -1.558571 trlgG= -2.214938 logG= -0.646915 TDE= -4.397553 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1026.03119259653 eV TrLogG= -1457.71143663565 eV Ratio to renormalize= 1.000614209516 rho-rho_expected=-0.100668528995 nargs= 1 argi=dmft2.def 4) Finished k-point number 5 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 15) Finished k-point number 16 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 3) Finished k-point number 4 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.804834781239178 0.804787853953657 0.804711629863859 0.804435227780511 0.805295531410524 0.804672509861822 0.805125984861184 0.804661982478380 0.804815828851979 0.805049863348070 0.804843270339705 0.804711833114763 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.036288 tlogG= -0.613352 logG= -0.649640 Density= 3.417708 ETOT(band)= -1.564389 trlgG= -2.222430 logG= -0.649640 TDE= -4.398693 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036012 tlogG= -0.621443 logG= -0.657455 Density= 3.412252 ETOT(band)= -1.575048 trlgG= -2.240129 logG= -0.657455 TDE= -4.404066 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.035820 tlogG= -0.624760 logG= -0.660580 Density= 3.409821 ETOT(band)= -1.579323 trlgG= -2.246347 logG= -0.660580 TDE= -4.405148 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.035770 tlogG= -0.626723 logG= -0.662493 Density= 3.409522 ETOT(band)= -1.581017 trlgG= -2.250251 logG= -0.662493 TDE= -4.406893 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=128 logGD-logG0= -0.035995 tlogG= -0.619421 logG= -0.655417 Density= 3.412065 ETOT(band)= -1.573496 trlgG= -2.235358 logG= -0.655417 TDE= -4.401178 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.035763 tlogG= -0.624899 logG= -0.660662 Density= 3.408970 ETOT(band)= -1.580189 trlgG= -2.247257 logG= -0.660662 TDE= -4.405272 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036007 tlogG= -0.619455 logG= -0.655462 Density= 3.412015 ETOT(band)= -1.573480 trlgG= -2.235068 logG= -0.655462 TDE= -4.400801 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036303 tlogG= -0.616285 logG= -0.652588 Density= 3.417382 ETOT(band)= -1.566762 trlgG= -2.227766 logG= -0.652588 TDE= -4.400812 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.035935 tlogG= -0.624426 logG= -0.660360 Density= 3.411859 ETOT(band)= -1.577538 trlgG= -2.245659 logG= -0.660360 TDE= -4.406366 logGD-logG0= -0.035800 tlogG= -0.620115 logG= -0.655916 Density= 3.408537 ETOT(band)= -1.577069 trlgG= -2.238839 logG= -0.655916 TDE= -4.401243 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036151 tlogG= -0.615901 logG= -0.652052 Density= 3.415052 ETOT(band)= -1.568434 trlgG= -2.228033 logG= -0.652052 TDE= -4.399688 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.035849 tlogG= -0.622671 logG= -0.658520 Density= 3.409940 ETOT(band)= -1.577709 trlgG= -2.242599 logG= -0.658520 TDE= -4.403559 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036172 tlogG= -0.618753 logG= -0.654925 Density= 3.413957 ETOT(band)= -1.571568 trlgG= -2.233949 logG= -0.654925 TDE= -4.401825 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.035973 tlogG= -0.617376 logG= -0.653348 Density= 3.411746 ETOT(band)= -1.572312 trlgG= -2.232265 logG= -0.653348 TDE= -4.399890 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.035972 tlogG= -0.624301 logG= -0.660273 Density= 3.412455 ETOT(band)= -1.576888 trlgG= -2.244933 logG= -0.660273 TDE= -4.406220 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.036306 tlogG= -0.615377 logG= -0.651683 Density= 3.417436 ETOT(band)= -1.566122 trlgG= -2.226523 logG= -0.651683 TDE= -4.400518 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036109 tlogG= -0.623911 logG= -0.660020 Density= 3.413820 ETOT(band)= -1.575605 trlgG= -2.244112 logG= -0.660020 TDE= -4.406780 logGD-logG0= -0.035910 tlogG= -0.619621 logG= -0.655531 Density= 3.410692 ETOT(band)= -1.574847 trlgG= -2.236741 logG= -0.655531 TDE= -4.401312 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.036212 tlogG= -0.616674 logG= -0.652886 Density= 3.415918 ETOT(band)= -1.568259 trlgG= -2.228975 logG= -0.652886 TDE= -4.400512 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.035909 tlogG= -0.621836 logG= -0.657745 Density= 3.410645 ETOT(band)= -1.576453 trlgG= -2.240214 logG= -0.657745 TDE= -4.402531 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.036212 tlogG= -0.618599 logG= -0.654811 Density= 3.414885 ETOT(band)= -1.570597 trlgG= -2.233029 logG= -0.654811 TDE= -4.401787 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.035984 tlogG= -0.621539 logG= -0.657523 Density= 3.412096 ETOT(band)= -1.575052 trlgG= -2.239551 logG= -0.657523 TDE= -4.403291 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.035978 tlogG= -0.626156 logG= -0.662134 Density= 3.412769 ETOT(band)= -1.578025 trlgG= -2.248333 logG= -0.662134 TDE= -4.408018 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.037091 tlogG= -0.608824 logG= -0.645915 Density= 3.428990 ETOT(band)= -1.551985 trlgG= -2.209460 logG= -0.645915 TDE= -4.398777 logGD-logG0= -0.036463 tlogG= -0.614846 logG= -0.651309 Density= 3.419251 ETOT(band)= -1.564268 trlgG= -2.224907 logG= -0.651309 TDE= -4.400776 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.036029 tlogG= -0.619230 logG= -0.655258 Density= 3.412496 ETOT(band)= -1.572877 trlgG= -2.234720 logG= -0.655258 TDE= -4.401055 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.035889 tlogG= -0.621827 logG= -0.657716 Density= 3.410615 ETOT(band)= -1.576649 trlgG= -2.241314 logG= -0.657716 TDE= -4.403636 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036188 tlogG= -0.625549 logG= -0.661736 Density= 3.414764 ETOT(band)= -1.576005 trlgG= -2.246666 logG= -0.661736 TDE= -4.408399 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.036043 tlogG= -0.619209 logG= -0.655252 Density= 3.412625 ETOT(band)= -1.572990 trlgG= -2.235266 logG= -0.655252 TDE= -4.401714 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036481 tlogG= -0.612753 logG= -0.649235 Density= 3.420965 ETOT(band)= -1.561335 trlgG= -2.220316 logG= -0.649235 TDE= -4.399677 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.036138 tlogG= -0.621747 logG= -0.657884 Density= 3.413734 ETOT(band)= -1.573988 trlgG= -2.239893 logG= -0.657884 TDE= -4.404626 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.035957 tlogG= -0.619585 logG= -0.655541 Density= 3.411011 ETOT(band)= -1.574641 trlgG= -2.236752 logG= -0.655541 TDE= -4.401577 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036063 tlogG= -0.621196 logG= -0.657259 Density= 3.413325 ETOT(band)= -1.573796 trlgG= -2.238679 logG= -0.657259 TDE= -4.403698 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036125 tlogG= -0.617044 logG= -0.653169 Density= 3.414356 ETOT(band)= -1.569819 trlgG= -2.229835 logG= -0.653169 TDE= -4.399796 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036369 tlogG= -0.613198 logG= -0.649567 Density= 3.418979 ETOT(band)= -1.563219 trlgG= -2.221278 logG= -0.649567 TDE= -4.398666 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.036131 tlogG= -0.623813 logG= -0.659944 Density= 3.414268 ETOT(band)= -1.575092 trlgG= -2.243529 logG= -0.659944 TDE= -4.406644 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036576 tlogG= -0.610356 logG= -0.646932 Density= 3.422105 ETOT(band)= -1.558586 trlgG= -2.214971 logG= -0.646932 TDE= -4.397577 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.036105 tlogG= -0.619031 logG= -0.655136 Density= 3.413656 ETOT(band)= -1.571923 trlgG= -2.234190 logG= -0.655136 TDE= -4.401606 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036742 tlogG= -0.611985 logG= -0.648726 Density= 3.424507 ETOT(band)= -1.557888 trlgG= -2.217114 logG= -0.648726 TDE= -4.399912 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.036672 tlogG= -0.612124 logG= -0.648796 Density= 3.423247 ETOT(band)= -1.559037 trlgG= -2.218228 logG= -0.648796 TDE= -4.399915 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.036832 tlogG= -0.609628 logG= -0.646460 Density= 3.426265 ETOT(band)= -1.554747 trlgG= -2.212076 logG= -0.646460 TDE= -4.398594 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.035774 tlogG= -0.622162 logG= -0.657936 Density= 3.408526 ETOT(band)= -1.578579 trlgG= -2.242566 logG= -0.657936 TDE= -4.402941 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=121 logGD-logG0= -0.035992 tlogG= -0.622218 logG= -0.658210 Density= 3.412124 ETOT(band)= -1.575624 trlgG= -2.241164 logG= -0.658210 TDE= -4.404239 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.035991 tlogG= -0.619669 logG= -0.655661 Density= 3.411571 ETOT(band)= -1.574048 trlgG= -2.235432 logG= -0.655661 TDE= -4.400600 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.036094 tlogG= -0.616984 logG= -0.653077 Density= 3.413750 ETOT(band)= -1.570397 trlgG= -2.231058 logG= -0.653077 TDE= -4.400610 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.035876 tlogG= -0.619856 logG= -0.655732 Density= 3.409909 ETOT(band)= -1.575747 trlgG= -2.237693 logG= -0.655732 TDE= -4.401415 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036213 tlogG= -0.616562 logG= -0.652775 Density= 3.415185 ETOT(band)= -1.568912 trlgG= -2.229839 logG= -0.652775 TDE= -4.400881 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036553 tlogG= -0.612600 logG= -0.649153 Density= 3.422136 ETOT(band)= -1.560239 trlgG= -2.219232 logG= -0.649153 TDE= -4.399643 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 Sum of eigenvalues= -1026.04026041475 eV TrLogG= -1457.73793790445 eV Ratio to renormalize= 1.000610725618 rho-rho_expected=-0.100097869055 nargs= 1 argi=dmft2.def 15) Finished k-point number 16 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 1) Finished k-point number 2 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 8) Finished k-point number 9 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.804581676372380 0.804751046544994 0.804597577023476 0.804178950313106 0.805259686719152 0.804559514717243 0.804873371916443 0.804624460689135 0.804702813885263 0.804795828084355 0.804806204248656 0.804598777363729 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.036120 tlogG= -0.625185 logG= -0.661305 Density= 3.414435 ETOT(band)= -1.575291 trlgG= -2.245514 logG= -0.661305 TDE= -4.407405 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.035845 tlogG= -0.621466 logG= -0.657311 Density= 3.410215 ETOT(band)= -1.575822 trlgG= -2.239163 logG= -0.657311 TDE= -4.401559 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.035931 tlogG= -0.619050 logG= -0.654981 Density= 3.411637 ETOT(band)= -1.572861 trlgG= -2.234283 logG= -0.654981 TDE= -4.400185 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.035846 tlogG= -0.619250 logG= -0.655096 Density= 3.410270 ETOT(band)= -1.574209 trlgG= -2.235668 logG= -0.655096 TDE= -4.400325 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.035892 tlogG= -0.619214 logG= -0.655105 Density= 3.410600 ETOT(band)= -1.573992 trlgG= -2.235655 logG= -0.655105 TDE= -4.400575 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035699 tlogG= -0.624534 logG= -0.660232 Density= 3.408547 ETOT(band)= -1.579557 trlgG= -2.246189 logG= -0.660232 TDE= -4.404285 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.035946 tlogG= -0.621074 logG= -0.657020 Density= 3.411862 ETOT(band)= -1.574382 trlgG= -2.239017 logG= -0.657020 TDE= -4.403066 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036508 tlogG= -0.609981 logG= -0.646489 Density= 3.421684 ETOT(band)= -1.557934 trlgG= -2.213844 logG= -0.646489 TDE= -4.396545 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.036413 tlogG= -0.612380 logG= -0.648793 Density= 3.420545 ETOT(band)= -1.560683 trlgG= -2.219193 logG= -0.648793 TDE= -4.398648 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.035705 tlogG= -0.626360 logG= -0.662065 Density= 3.409090 ETOT(band)= -1.580395 trlgG= -2.249190 logG= -0.662065 TDE= -4.405902 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.036222 tlogG= -0.612978 logG= -0.649199 Density= 3.417274 ETOT(band)= -1.563752 trlgG= -2.221320 logG= -0.649199 TDE= -4.397665 logGD-logG0= -0.035906 tlogG= -0.623935 logG= -0.659841 Density= 3.412061 ETOT(band)= -1.576227 trlgG= -2.243832 logG= -0.659841 TDE= -4.405225 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.036028 tlogG= -0.616611 logG= -0.652639 Density= 3.413330 ETOT(band)= -1.569753 trlgG= -2.229944 logG= -0.652639 TDE= -4.399588 logGD-logG0= -0.035785 tlogG= -0.622303 logG= -0.658088 Density= 3.409518 ETOT(band)= -1.577074 trlgG= -2.241547 logG= -0.658088 TDE= -4.402590 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.035908 tlogG= -0.617003 logG= -0.652911 Density= 3.411319 ETOT(band)= -1.571675 trlgG= -2.231179 logG= -0.652911 TDE= -4.398889 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036042 tlogG= -0.623546 logG= -0.659588 Density= 3.413467 ETOT(band)= -1.574909 trlgG= -2.242976 logG= -0.659588 TDE= -4.405784 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.035756 tlogG= -0.624394 logG= -0.660149 Density= 3.409392 ETOT(band)= -1.578696 trlgG= -2.245281 logG= -0.660149 TDE= -4.404158 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036085 tlogG= -0.615529 logG= -0.651614 Density= 3.414619 ETOT(band)= -1.567799 trlgG= -2.226944 logG= -0.651614 TDE= -4.398679 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.036071 tlogG= -0.621380 logG= -0.657451 Density= 3.413363 ETOT(band)= -1.573307 trlgG= -2.238769 logG= -0.657451 TDE= -4.403629 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.036039 tlogG= -0.618660 logG= -0.654699 Density= 3.413250 ETOT(band)= -1.571267 trlgG= -2.233083 logG= -0.654699 TDE= -4.400601 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036395 tlogG= -0.614474 logG= -0.650870 Density= 3.418845 ETOT(band)= -1.563607 trlgG= -2.223777 logG= -0.650870 TDE= -4.399751 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.036106 tlogG= -0.618383 logG= -0.654489 Density= 3.413568 ETOT(band)= -1.570899 trlgG= -2.232822 logG= -0.654489 TDE= -4.400813 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.035737 tlogG= -0.619744 logG= -0.655481 Density= 3.408138 ETOT(band)= -1.576414 trlgG= -2.237790 logG= -0.655481 TDE= -4.400299 logGD-logG0= -0.035911 tlogG= -0.625792 logG= -0.661703 Density= 3.412391 ETOT(band)= -1.577353 trlgG= -2.247222 logG= -0.661703 TDE= -4.407025 logGD-logG0= -0.037020 tlogG= -0.608450 logG= -0.645469 Density= 3.428635 ETOT(band)= -1.551274 trlgG= -2.208280 logG= -0.645469 TDE= -4.397748 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.035978 tlogG= -0.618838 logG= -0.654816 Density= 3.412223 ETOT(band)= -1.572333 trlgG= -2.234167 logG= -0.654816 TDE= -4.400719 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036239 tlogG= -0.615005 logG= -0.651244 Density= 3.417019 ETOT(band)= -1.565472 trlgG= -2.225403 logG= -0.651244 TDE= -4.399493 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.035919 tlogG= -0.621169 logG= -0.657088 Density= 3.411681 ETOT(band)= -1.574407 trlgG= -2.238461 logG= -0.657088 TDE= -4.402293 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036485 tlogG= -0.612226 logG= -0.648711 Density= 3.421726 ETOT(band)= -1.559578 trlgG= -2.218101 logG= -0.648711 TDE= -4.398615 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036763 tlogG= -0.609253 logG= -0.646016 Density= 3.425873 ETOT(band)= -1.554067 trlgG= -2.210925 logG= -0.646016 TDE= -4.397563 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035943 tlogG= -0.619082 logG= -0.655025 Density= 3.411586 ETOT(band)= -1.572844 trlgG= -2.234004 logG= -0.655025 TDE= -4.399820 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035824 tlogG= -0.621458 logG= -0.657282 Density= 3.410206 ETOT(band)= -1.576000 trlgG= -2.240219 logG= -0.657282 TDE= -4.402637 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036303 tlogG= -0.612823 logG= -0.649126 Density= 3.418557 ETOT(band)= -1.562571 trlgG= -2.220159 logG= -0.649126 TDE= -4.397638 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.036064 tlogG= -0.623447 logG= -0.659511 Density= 3.413915 ETOT(band)= -1.574396 trlgG= -2.242393 logG= -0.659511 TDE= -4.405649 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036146 tlogG= -0.616190 logG= -0.652336 Density= 3.414773 ETOT(band)= -1.568259 trlgG= -2.228717 logG= -0.652336 TDE= -4.399857 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035997 tlogG= -0.620827 logG= -0.656824 Density= 3.412929 ETOT(band)= -1.573133 trlgG= -2.237573 logG= -0.656824 TDE= -4.402700 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.035812 tlogG= -0.619485 logG= -0.655297 Density= 3.409497 ETOT(band)= -1.575100 trlgG= -2.236623 logG= -0.655297 TDE= -4.400440 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.035964 tlogG= -0.618858 logG= -0.654821 Density= 3.412065 ETOT(band)= -1.572242 trlgG= -2.233628 logG= -0.654821 TDE= -4.400044 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.035710 tlogG= -0.621793 logG= -0.657504 Density= 3.408118 ETOT(band)= -1.577934 trlgG= -2.241505 logG= -0.657504 TDE= -4.401975 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.036146 tlogG= -0.618228 logG= -0.654374 Density= 3.414490 ETOT(band)= -1.569931 trlgG= -2.231899 logG= -0.654374 TDE= -4.400768 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.036603 tlogG= -0.611751 logG= -0.648354 Density= 3.422851 ETOT(band)= -1.558363 trlgG= -2.217085 logG= -0.648354 TDE= -4.398886 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.036146 tlogG= -0.616301 logG= -0.652447 Density= 3.415496 ETOT(band)= -1.567613 trlgG= -2.227866 logG= -0.652447 TDE= -4.399493 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036673 tlogG= -0.611611 logG= -0.648283 Density= 3.424123 ETOT(band)= -1.557204 trlgG= -2.215961 logG= -0.648283 TDE= -4.398884 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.035869 tlogG= -0.624060 logG= -0.659929 Density= 3.411465 ETOT(band)= -1.576879 trlgG= -2.244558 logG= -0.659929 TDE= -4.405371 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036236 tlogG= -0.615912 logG= -0.652148 Density= 3.416965 ETOT(band)= -1.566111 trlgG= -2.226651 logG= -0.652148 TDE= -4.399791 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035927 tlogG= -0.619297 logG= -0.655224 Density= 3.411138 ETOT(band)= -1.573417 trlgG= -2.234382 logG= -0.655224 TDE= -4.399629 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.035927 tlogG= -0.621851 logG= -0.657777 Density= 3.411731 ETOT(band)= -1.574962 trlgG= -2.240060 logG= -0.657777 TDE= -4.403243 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.036060 tlogG= -0.616670 logG= -0.652730 Density= 3.413926 ETOT(band)= -1.569181 trlgG= -2.228749 logG= -0.652730 TDE= -4.398794 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 Sum of eigenvalues= -1025.61241336036 eV TrLogG= -1456.79798320224 eV Ratio to renormalize= 1.000729757173 rho-rho_expected=-0.119592902560 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 7) Finished k-point number 8 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 21) Finished k-point number 22 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 35) Finished k-point number 36 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 9) Finished k-point number 10 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.804545313067994 0.804736152389250 0.804594800187442 0.804142289921474 0.805245507273945 0.804556459316362 0.804836939817020 0.804609584292410 0.804700046957230 0.804759105407684 0.804791808870979 0.804595835080715 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.035701 tlogG= -0.626404 logG= -0.662104 Density= 3.409060 ETOT(band)= -1.580415 trlgG= -2.249249 logG= -0.662104 TDE= -4.405897 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=126 logGD-logG0= -0.035733 tlogG= -0.619788 logG= -0.655521 Density= 3.408111 ETOT(band)= -1.576434 trlgG= -2.237852 logG= -0.655521 TDE= -4.400298 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.035780 tlogG= -0.622347 logG= -0.658128 Density= 3.409489 ETOT(band)= -1.577095 trlgG= -2.241608 logG= -0.658128 TDE= -4.402587 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036081 tlogG= -0.615574 logG= -0.651654 Density= 3.414589 ETOT(band)= -1.567820 trlgG= -2.227005 logG= -0.651654 TDE= -4.398675 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.036232 tlogG= -0.615957 logG= -0.652189 Density= 3.416939 ETOT(band)= -1.566129 trlgG= -2.226708 logG= -0.652189 TDE= -4.399787 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.035752 tlogG= -0.624438 logG= -0.660189 Density= 3.409361 ETOT(band)= -1.578717 trlgG= -2.245341 logG= -0.660189 TDE= -4.404153 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036409 tlogG= -0.612425 logG= -0.648833 Density= 3.420520 ETOT(band)= -1.560701 trlgG= -2.219250 logG= -0.648833 TDE= -4.398644 logGD-logG0= -0.035842 tlogG= -0.619295 logG= -0.655137 Density= 3.410241 ETOT(band)= -1.574229 trlgG= -2.235729 logG= -0.655137 TDE= -4.400321 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.036116 tlogG= -0.625230 logG= -0.661345 Density= 3.414412 ETOT(band)= -1.575306 trlgG= -2.245568 logG= -0.661345 TDE= -4.407401 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.035904 tlogG= -0.617048 logG= -0.652951 Density= 3.411290 ETOT(band)= -1.571696 trlgG= -2.231240 logG= -0.652951 TDE= -4.398885 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.035901 tlogG= -0.623979 logG= -0.659881 Density= 3.412033 ETOT(band)= -1.576246 trlgG= -2.243890 logG= -0.659881 TDE= -4.405220 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.035807 tlogG= -0.619530 logG= -0.655337 Density= 3.409468 ETOT(band)= -1.575121 trlgG= -2.236684 logG= -0.655337 TDE= -4.400437 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.035864 tlogG= -0.624104 logG= -0.659968 Density= 3.411438 ETOT(band)= -1.576897 trlgG= -2.244616 logG= -0.659968 TDE= -4.405366 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036037 tlogG= -0.623591 logG= -0.659628 Density= 3.413443 ETOT(band)= -1.574925 trlgG= -2.243031 logG= -0.659628 TDE= -4.405780 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036035 tlogG= -0.618704 logG= -0.654739 Density= 3.413223 ETOT(band)= -1.571287 trlgG= -2.233141 logG= -0.654739 TDE= -4.400596 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.035914 tlogG= -0.621213 logG= -0.657128 Density= 3.411651 ETOT(band)= -1.574428 trlgG= -2.238521 logG= -0.657128 TDE= -4.402288 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036504 tlogG= -0.610026 logG= -0.646530 Density= 3.421657 ETOT(band)= -1.557953 trlgG= -2.213902 logG= -0.646530 TDE= -4.396541 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036235 tlogG= -0.615050 logG= -0.651284 Density= 3.416993 ETOT(band)= -1.565490 trlgG= -2.225461 logG= -0.651284 TDE= -4.399488 logGD-logG0= -0.036298 tlogG= -0.612868 logG= -0.649166 Density= 3.418529 ETOT(band)= -1.562591 trlgG= -2.220218 logG= -0.649166 TDE= -4.397634 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.035887 tlogG= -0.619258 logG= -0.655146 Density= 3.410571 ETOT(band)= -1.574012 trlgG= -2.235714 logG= -0.655146 TDE= -4.400571 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036599 tlogG= -0.611796 logG= -0.648395 Density= 3.422827 ETOT(band)= -1.558380 trlgG= -2.217141 logG= -0.648395 TDE= -4.398882 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.036141 tlogG= -0.618273 logG= -0.654414 Density= 3.414465 ETOT(band)= -1.569949 trlgG= -2.231956 logG= -0.654414 TDE= -4.400763 logGD-logG0= -0.035926 tlogG= -0.619095 logG= -0.655021 Density= 3.411606 ETOT(band)= -1.572883 trlgG= -2.234344 logG= -0.655021 TDE= -4.400180 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036102 tlogG= -0.618428 logG= -0.654530 Density= 3.413543 ETOT(band)= -1.570917 trlgG= -2.232879 logG= -0.654530 TDE= -4.400809 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.036217 tlogG= -0.613023 logG= -0.649240 Density= 3.417246 ETOT(band)= -1.563772 trlgG= -2.221379 logG= -0.649240 TDE= -4.397661 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.035841 tlogG= -0.621510 logG= -0.657351 Density= 3.410182 ETOT(band)= -1.575845 trlgG= -2.239226 logG= -0.657351 TDE= -4.401556 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.035993 tlogG= -0.620871 logG= -0.656864 Density= 3.412901 ETOT(band)= -1.573152 trlgG= -2.237631 logG= -0.656864 TDE= -4.402696 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.035973 tlogG= -0.618883 logG= -0.654856 Density= 3.412197 ETOT(band)= -1.572352 trlgG= -2.234226 logG= -0.654856 TDE= -4.400716 logGD-logG0= -0.036056 tlogG= -0.616715 logG= -0.652770 Density= 3.413895 ETOT(band)= -1.569204 trlgG= -2.228811 logG= -0.652770 TDE= -4.398790 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.036059 tlogG= -0.623492 logG= -0.659551 Density= 3.413890 ETOT(band)= -1.574412 trlgG= -2.242449 logG= -0.659551 TDE= -4.405644 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.035942 tlogG= -0.621119 logG= -0.657060 Density= 3.411836 ETOT(band)= -1.574400 trlgG= -2.239075 logG= -0.657060 TDE= -4.403062 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035694 tlogG= -0.624578 logG= -0.660272 Density= 3.408518 ETOT(band)= -1.579578 trlgG= -2.246249 logG= -0.660272 TDE= -4.404281 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.035907 tlogG= -0.625837 logG= -0.661743 Density= 3.412365 ETOT(band)= -1.577371 trlgG= -2.247279 logG= -0.661743 TDE= -4.407021 logGD-logG0= -0.037015 tlogG= -0.608495 logG= -0.645511 Density= 3.428612 ETOT(band)= -1.551290 trlgG= -2.208336 logG= -0.645511 TDE= -4.397744 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.035938 tlogG= -0.619127 logG= -0.655065 Density= 3.411555 ETOT(band)= -1.572866 trlgG= -2.234067 logG= -0.655065 TDE= -4.399816 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036391 tlogG= -0.614519 logG= -0.650910 Density= 3.418821 ETOT(band)= -1.563624 trlgG= -2.223834 logG= -0.650910 TDE= -4.399747 logGD-logG0= -0.035706 tlogG= -0.621838 logG= -0.657544 Density= 3.408090 ETOT(band)= -1.577954 trlgG= -2.241566 logG= -0.657544 TDE= -4.401972 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.036141 tlogG= -0.616345 logG= -0.652487 Density= 3.415468 ETOT(band)= -1.567633 trlgG= -2.227924 logG= -0.652487 TDE= -4.399489 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036142 tlogG= -0.616235 logG= -0.652377 Density= 3.414748 ETOT(band)= -1.568277 trlgG= -2.228774 logG= -0.652377 TDE= -4.399853 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.035959 tlogG= -0.618902 logG= -0.654861 Density= 3.412036 ETOT(band)= -1.572262 trlgG= -2.233688 logG= -0.654861 TDE= -4.400040 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036024 tlogG= -0.616656 logG= -0.652680 Density= 3.413303 ETOT(band)= -1.569771 trlgG= -2.230002 logG= -0.652680 TDE= -4.399583 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036480 tlogG= -0.612271 logG= -0.648752 Density= 3.421700 ETOT(band)= -1.559595 trlgG= -2.218158 logG= -0.648752 TDE= -4.398611 logGD-logG0= -0.036668 tlogG= -0.611656 logG= -0.648324 Density= 3.424100 ETOT(band)= -1.557220 trlgG= -2.216017 logG= -0.648324 TDE= -4.398880 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=117 logGD-logG0= -0.036067 tlogG= -0.621424 logG= -0.657491 Density= 3.413338 ETOT(band)= -1.573324 trlgG= -2.238826 logG= -0.657491 TDE= -4.403625 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.035923 tlogG= -0.619341 logG= -0.655263 Density= 3.411104 ETOT(band)= -1.573441 trlgG= -2.234446 logG= -0.655263 TDE= -4.399625 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.036758 tlogG= -0.609298 logG= -0.646057 Density= 3.425849 ETOT(band)= -1.554084 trlgG= -2.210982 logG= -0.646057 TDE= -4.397560 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.035922 tlogG= -0.621895 logG= -0.657817 Density= 3.411703 ETOT(band)= -1.574981 trlgG= -2.240118 logG= -0.657817 TDE= -4.403239 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.035820 tlogG= -0.621502 logG= -0.657322 Density= 3.410178 ETOT(band)= -1.576020 trlgG= -2.240278 logG= -0.657322 TDE= -4.402632 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 Sum of eigenvalues= -1025.62496415909 eV TrLogG= -1456.82162704345 eV Ratio to renormalize= 1.000737782100 rho-rho_expected=-0.120907061265 nargs= 1 argi=dmft2.def 4) Finished k-point number 5 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 1) Finished k-point number 2 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.804559349238379 0.804740508856856 0.804652578897561 0.804156608907824 0.805251008286124 0.804613177677370 0.804850788623852 0.804614090066196 0.804757481867021 0.804772685553760 0.804797220445304 0.804653020780083 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.036050 tlogG= -0.618872 logG= -0.654922 Density= 3.413322 ETOT(band)= -1.571538 trlgG= -2.233582 logG= -0.654922 TDE= -4.400936 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.036039 tlogG= -0.616825 logG= -0.652864 Density= 3.413410 ETOT(band)= -1.570017 trlgG= -2.230445 logG= -0.652864 TDE= -4.399931 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036131 tlogG= -0.625394 logG= -0.661526 Density= 3.414494 ETOT(band)= -1.575570 trlgG= -2.246015 logG= -0.661526 TDE= -4.407735 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.035715 tlogG= -0.626568 logG= -0.662284 Density= 3.409158 ETOT(band)= -1.580663 trlgG= -2.249680 logG= -0.662284 TDE= -4.406230 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.036425 tlogG= -0.612594 logG= -0.649019 Density= 3.420640 ETOT(band)= -1.560939 trlgG= -2.219687 logG= -0.649019 TDE= -4.398995 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.035929 tlogG= -0.621380 logG= -0.657310 Density= 3.411745 ETOT(band)= -1.574681 trlgG= -2.238960 logG= -0.657310 TDE= -4.402623 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036250 tlogG= -0.615218 logG= -0.651469 Density= 3.417106 ETOT(band)= -1.565732 trlgG= -2.225900 logG= -0.651469 TDE= -4.399837 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036096 tlogG= -0.615742 logG= -0.651838 Density= 3.414697 ETOT(band)= -1.568065 trlgG= -2.227442 logG= -0.651838 TDE= -4.399018 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.035988 tlogG= -0.619051 logG= -0.655039 Density= 3.412295 ETOT(band)= -1.572604 trlgG= -2.234664 logG= -0.655039 TDE= -4.401052 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.035795 tlogG= -0.622514 logG= -0.658309 Density= 3.409584 ETOT(band)= -1.577347 trlgG= -2.242038 logG= -0.658309 TDE= -4.402915 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.036053 tlogG= -0.623756 logG= -0.659809 Density= 3.413530 ETOT(band)= -1.575186 trlgG= -2.243476 logG= -0.659809 TDE= -4.406115 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.035941 tlogG= -0.619262 logG= -0.655204 Density= 3.411703 ETOT(band)= -1.573135 trlgG= -2.234780 logG= -0.655204 TDE= -4.400514 logGD-logG0= -0.036233 tlogG= -0.613192 logG= -0.649425 Density= 3.417361 ETOT(band)= -1.564013 trlgG= -2.221819 logG= -0.649425 TDE= -4.398010 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.035918 tlogG= -0.617217 logG= -0.653135 Density= 3.411393 ETOT(band)= -1.571945 trlgG= -2.231680 logG= -0.653135 TDE= -4.399226 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036685 tlogG= -0.611826 logG= -0.648510 Density= 3.424212 ETOT(band)= -1.557466 trlgG= -2.216460 logG= -0.648510 TDE= -4.399231 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.036407 tlogG= -0.614688 logG= -0.651095 Density= 3.418935 ETOT(band)= -1.563866 trlgG= -2.224274 logG= -0.651095 TDE= -4.400096 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.036158 tlogG= -0.616404 logG= -0.652561 Density= 3.414858 ETOT(band)= -1.568521 trlgG= -2.229217 logG= -0.652561 TDE= -4.400202 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.035917 tlogG= -0.624145 logG= -0.660061 Density= 3.412126 ETOT(band)= -1.576500 trlgG= -2.244329 logG= -0.660061 TDE= -4.405555 logGD-logG0= -0.035957 tlogG= -0.621286 logG= -0.657243 Density= 3.411929 ETOT(band)= -1.574656 trlgG= -2.239517 logG= -0.657243 TDE= -4.403398 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.035857 tlogG= -0.619462 logG= -0.655319 Density= 3.410339 ETOT(band)= -1.574481 trlgG= -2.236164 logG= -0.655319 TDE= -4.400654 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035902 tlogG= -0.619427 logG= -0.655329 Density= 3.410668 ETOT(band)= -1.574266 trlgG= -2.236155 logG= -0.655329 TDE= -4.400907 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.035937 tlogG= -0.619509 logG= -0.655446 Density= 3.411195 ETOT(band)= -1.573698 trlgG= -2.234881 logG= -0.655446 TDE= -4.399952 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.035835 tlogG= -0.621669 logG= -0.657504 Density= 3.410273 ETOT(band)= -1.576274 trlgG= -2.240717 logG= -0.657504 TDE= -4.402968 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.035855 tlogG= -0.621677 logG= -0.657532 Density= 3.410274 ETOT(band)= -1.576101 trlgG= -2.239659 logG= -0.657532 TDE= -4.401883 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.035953 tlogG= -0.619295 logG= -0.655248 Density= 3.411651 ETOT(band)= -1.573119 trlgG= -2.234501 logG= -0.655248 TDE= -4.400148 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035766 tlogG= -0.624603 logG= -0.660369 Density= 3.409456 ETOT(band)= -1.578968 trlgG= -2.245775 logG= -0.660369 TDE= -4.404485 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.035922 tlogG= -0.626001 logG= -0.661923 Density= 3.412455 ETOT(band)= -1.577626 trlgG= -2.247718 logG= -0.661923 TDE= -4.407355 logGD-logG0= -0.035974 tlogG= -0.619070 logG= -0.655044 Density= 3.412140 ETOT(band)= -1.572510 trlgG= -2.234126 logG= -0.655044 TDE= -4.400381 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.036775 tlogG= -0.609468 logG= -0.646244 Density= 3.425963 ETOT(band)= -1.554329 trlgG= -2.211425 logG= -0.646244 TDE= -4.397911 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.036157 tlogG= -0.616514 logG= -0.652671 Density= 3.415578 ETOT(band)= -1.567877 trlgG= -2.228364 logG= -0.652671 TDE= -4.399835 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036117 tlogG= -0.618596 logG= -0.654713 Density= 3.413642 ETOT(band)= -1.571169 trlgG= -2.233323 logG= -0.654713 TDE= -4.401151 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.035709 tlogG= -0.624743 logG= -0.660452 Density= 3.408614 ETOT(band)= -1.579828 trlgG= -2.246682 logG= -0.660452 TDE= -4.404613 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036248 tlogG= -0.616125 logG= -0.652373 Density= 3.417054 ETOT(band)= -1.566369 trlgG= -2.227145 logG= -0.652373 TDE= -4.400134 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036615 tlogG= -0.611965 logG= -0.648581 Density= 3.422942 ETOT(band)= -1.558624 trlgG= -2.217583 logG= -0.648581 TDE= -4.399233 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.035747 tlogG= -0.619957 logG= -0.655704 Density= 3.408200 ETOT(band)= -1.576692 trlgG= -2.238284 logG= -0.655704 TDE= -4.400621 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.037033 tlogG= -0.608665 logG= -0.645698 Density= 3.428715 ETOT(band)= -1.551545 trlgG= -2.208789 logG= -0.645698 TDE= -4.398095 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.036075 tlogG= -0.623657 logG= -0.659732 Density= 3.413977 ETOT(band)= -1.574672 trlgG= -2.242893 logG= -0.659732 TDE= -4.405979 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036497 tlogG= -0.612440 logG= -0.648937 Density= 3.421818 ETOT(band)= -1.559836 trlgG= -2.218596 logG= -0.648937 TDE= -4.398961 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036157 tlogG= -0.618441 logG= -0.654597 Density= 3.414566 ETOT(band)= -1.570199 trlgG= -2.232399 logG= -0.654597 TDE= -4.401107 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.035937 tlogG= -0.622061 logG= -0.657999 Density= 3.411797 ETOT(band)= -1.575236 trlgG= -2.240557 logG= -0.657999 TDE= -4.403573 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036082 tlogG= -0.621590 logG= -0.657673 Density= 3.413429 ETOT(band)= -1.573581 trlgG= -2.239268 logG= -0.657673 TDE= -4.403960 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.036008 tlogG= -0.621038 logG= -0.657046 Density= 3.412997 ETOT(band)= -1.573405 trlgG= -2.238070 logG= -0.657046 TDE= -4.403032 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036520 tlogG= -0.610196 logG= -0.646716 Density= 3.421773 ETOT(band)= -1.558195 trlgG= -2.214344 logG= -0.646716 TDE= -4.396892 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036071 tlogG= -0.616883 logG= -0.652954 Density= 3.413995 ETOT(band)= -1.569454 trlgG= -2.229251 logG= -0.652954 TDE= -4.399130 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.035822 tlogG= -0.619698 logG= -0.655520 Density= 3.409562 ETOT(band)= -1.575376 trlgG= -2.237120 logG= -0.655520 TDE= -4.400767 logGD-logG0= -0.035879 tlogG= -0.624270 logG= -0.660149 Density= 3.411532 ETOT(band)= -1.577151 trlgG= -2.245054 logG= -0.660149 TDE= -4.405701 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036314 tlogG= -0.613037 logG= -0.649351 Density= 3.418640 ETOT(band)= -1.562835 trlgG= -2.220661 logG= -0.649351 TDE= -4.397983 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.035721 tlogG= -0.622005 logG= -0.657725 Density= 3.408181 ETOT(band)= -1.578209 trlgG= -2.241999 logG= -0.657725 TDE= -4.402300 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 Sum of eigenvalues= -1025.78848730054 eV TrLogG= -1457.16269996181 eV Ratio to renormalize= 1.000708275490 rho-rho_expected=-0.116074967286 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 20) Finished k-point number 21 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 45) Finished k-point number 46 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.804582477502568 0.804766867917515 0.804679977921728 0.804179742275144 0.805277339040522 0.804640506528657 0.804873824390945 0.804640501593060 0.804784848643398 0.804795670846426 0.804823691394482 0.804680401388012 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.035981 tlogG= -0.619083 logG= -0.655064 Density= 3.412188 ETOT(band)= -1.572594 trlgG= -2.234232 logG= -0.655064 TDE= -4.400507 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036257 tlogG= -0.615231 logG= -0.651488 Density= 3.417161 ETOT(band)= -1.565812 trlgG= -2.226006 logG= -0.651488 TDE= -4.399969 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.035928 tlogG= -0.626014 logG= -0.661942 Density= 3.412498 ETOT(band)= -1.577715 trlgG= -2.247827 logG= -0.661942 TDE= -4.407480 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.035963 tlogG= -0.621299 logG= -0.657262 Density= 3.411972 ETOT(band)= -1.574745 trlgG= -2.239626 logG= -0.657262 TDE= -4.403524 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.035754 tlogG= -0.619970 logG= -0.655723 Density= 3.408240 ETOT(band)= -1.576783 trlgG= -2.238390 logG= -0.655723 TDE= -4.400741 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.036059 tlogG= -0.623769 logG= -0.659828 Density= 3.413571 ETOT(band)= -1.575276 trlgG= -2.243587 logG= -0.659828 TDE= -4.406241 logGD-logG0= -0.035943 tlogG= -0.619522 logG= -0.655466 Density= 3.411240 ETOT(band)= -1.573785 trlgG= -2.234985 logG= -0.655466 TDE= -4.400074 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.035773 tlogG= -0.624616 logG= -0.660388 Density= 3.409501 ETOT(band)= -1.579055 trlgG= -2.245882 logG= -0.660388 TDE= -4.404610 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036432 tlogG= -0.612607 logG= -0.649039 Density= 3.420698 ETOT(band)= -1.561016 trlgG= -2.219790 logG= -0.649039 TDE= -4.399126 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.036240 tlogG= -0.613205 logG= -0.649445 Density= 3.417417 ETOT(band)= -1.564092 trlgG= -2.221924 logG= -0.649445 TDE= -4.398142 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.035715 tlogG= -0.624756 logG= -0.660471 Density= 3.408657 ETOT(band)= -1.579916 trlgG= -2.246790 logG= -0.660471 TDE= -4.404737 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.035936 tlogG= -0.621393 logG= -0.657329 Density= 3.411791 ETOT(band)= -1.574768 trlgG= -2.239067 logG= -0.657329 TDE= -4.402748 logGD-logG0= -0.035948 tlogG= -0.619275 logG= -0.655223 Density= 3.411750 ETOT(band)= -1.573220 trlgG= -2.234887 logG= -0.655223 TDE= -4.400641 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036102 tlogG= -0.615755 logG= -0.651857 Density= 3.414750 ETOT(band)= -1.568146 trlgG= -2.227547 logG= -0.651857 TDE= -4.399147 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.035925 tlogG= -0.617230 logG= -0.653154 Density= 3.411440 ETOT(band)= -1.572029 trlgG= -2.231788 logG= -0.653154 TDE= -4.399354 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036164 tlogG= -0.616417 logG= -0.652581 Density= 3.414908 ETOT(band)= -1.568604 trlgG= -2.229326 logG= -0.652581 TDE= -4.400333 logGD-logG0= -0.035862 tlogG= -0.621690 logG= -0.657552 Density= 3.410319 ETOT(band)= -1.576188 trlgG= -2.239764 logG= -0.657552 TDE= -4.402006 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036057 tlogG= -0.618885 logG= -0.654942 Density= 3.413369 ETOT(band)= -1.571623 trlgG= -2.233690 logG= -0.654942 TDE= -4.401064 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.035722 tlogG= -0.626581 logG= -0.662303 Density= 3.409203 ETOT(band)= -1.580749 trlgG= -2.249787 logG= -0.662303 TDE= -4.406355 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=126 logGD-logG0= -0.035841 tlogG= -0.621682 logG= -0.657523 Density= 3.410316 ETOT(band)= -1.576362 trlgG= -2.240826 logG= -0.657523 TDE= -4.403094 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036138 tlogG= -0.625407 logG= -0.661545 Density= 3.414534 ETOT(band)= -1.575661 trlgG= -2.246127 logG= -0.661545 TDE= -4.407861 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.036504 tlogG= -0.612453 logG= -0.648957 Density= 3.421876 ETOT(band)= -1.559913 trlgG= -2.218700 logG= -0.648957 TDE= -4.399092 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036163 tlogG= -0.618453 logG= -0.654617 Density= 3.414614 ETOT(band)= -1.570284 trlgG= -2.232509 logG= -0.654617 TDE= -4.401236 logGD-logG0= -0.036014 tlogG= -0.621051 logG= -0.657065 Density= 3.413042 ETOT(band)= -1.573492 trlgG= -2.238178 logG= -0.657065 TDE= -4.403157 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036692 tlogG= -0.611838 logG= -0.648530 Density= 3.424268 ETOT(band)= -1.557545 trlgG= -2.216565 logG= -0.648530 TDE= -4.399362 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.036081 tlogG= -0.623670 logG= -0.659751 Density= 3.414019 ETOT(band)= -1.574762 trlgG= -2.243004 logG= -0.659751 TDE= -4.406105 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035863 tlogG= -0.619476 logG= -0.655338 Density= 3.410384 ETOT(band)= -1.574567 trlgG= -2.236271 logG= -0.655338 TDE= -4.400779 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.035995 tlogG= -0.619064 logG= -0.655059 Density= 3.412341 ETOT(band)= -1.572690 trlgG= -2.234771 logG= -0.655059 TDE= -4.401178 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037040 tlogG= -0.608678 logG= -0.645718 Density= 3.428768 ETOT(band)= -1.551628 trlgG= -2.208897 logG= -0.645718 TDE= -4.398226 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.035944 tlogG= -0.622074 logG= -0.658018 Density= 3.411840 ETOT(band)= -1.575324 trlgG= -2.240665 logG= -0.658018 TDE= -4.403699 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.036077 tlogG= -0.616896 logG= -0.652974 Density= 3.414045 ETOT(band)= -1.569537 trlgG= -2.229357 logG= -0.652974 TDE= -4.399258 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036089 tlogG= -0.621603 logG= -0.657692 Density= 3.413472 ETOT(band)= -1.573670 trlgG= -2.239377 logG= -0.657692 TDE= -4.404085 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.036123 tlogG= -0.618609 logG= -0.654732 Density= 3.413687 ETOT(band)= -1.571256 trlgG= -2.233433 logG= -0.654732 TDE= -4.401279 logGD-logG0= -0.036527 tlogG= -0.610209 logG= -0.646736 Density= 3.421829 ETOT(band)= -1.558274 trlgG= -2.214449 logG= -0.646736 TDE= -4.397024 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.035960 tlogG= -0.619308 logG= -0.655268 Density= 3.411697 ETOT(band)= -1.573205 trlgG= -2.234605 logG= -0.655268 TDE= -4.400271 logGD-logG0= -0.036254 tlogG= -0.616138 logG= -0.652393 Density= 3.417108 ETOT(band)= -1.566449 trlgG= -2.227250 logG= -0.652393 TDE= -4.400265 logGD-logG0= -0.035923 tlogG= -0.624158 logG= -0.660081 Density= 3.412170 ETOT(band)= -1.576588 trlgG= -2.244437 logG= -0.660081 TDE= -4.405680 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.035801 tlogG= -0.622526 logG= -0.658328 Density= 3.409628 ETOT(band)= -1.577435 trlgG= -2.242144 logG= -0.658328 TDE= -4.403038 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.036163 tlogG= -0.616527 logG= -0.652690 Density= 3.415630 ETOT(band)= -1.567958 trlgG= -2.228471 logG= -0.652690 TDE= -4.399965 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036045 tlogG= -0.616838 logG= -0.652883 Density= 3.413460 ETOT(band)= -1.570101 trlgG= -2.230555 logG= -0.652883 TDE= -4.400062 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.035886 tlogG= -0.624283 logG= -0.660168 Density= 3.411575 ETOT(band)= -1.577239 trlgG= -2.245163 logG= -0.660168 TDE= -4.405827 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.035908 tlogG= -0.619440 logG= -0.655348 Density= 3.410711 ETOT(band)= -1.574354 trlgG= -2.236263 logG= -0.655348 TDE= -4.401032 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035727 tlogG= -0.622018 logG= -0.657745 Density= 3.408223 ETOT(band)= -1.578299 trlgG= -2.242107 logG= -0.657745 TDE= -4.402422 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.036414 tlogG= -0.614701 logG= -0.651115 Density= 3.418989 ETOT(band)= -1.563946 trlgG= -2.224380 logG= -0.651115 TDE= -4.400227 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.035828 tlogG= -0.619711 logG= -0.655540 Density= 3.409605 ETOT(band)= -1.575465 trlgG= -2.237226 logG= -0.655540 TDE= -4.400890 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036623 tlogG= -0.611978 logG= -0.648601 Density= 3.422998 ETOT(band)= -1.558703 trlgG= -2.217688 logG= -0.648601 TDE= -4.399364 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.036321 tlogG= -0.613050 logG= -0.649371 Density= 3.418695 ETOT(band)= -1.562914 trlgG= -2.220766 logG= -0.649371 TDE= -4.398114 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.036783 tlogG= -0.609481 logG= -0.646264 Density= 3.426020 ETOT(band)= -1.554408 trlgG= -2.211530 logG= -0.646264 TDE= -4.398042 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 Sum of eigenvalues= -1025.84390976262 eV TrLogG= -1457.25841986024 eV Ratio to renormalize= 1.000694276064 rho-rho_expected=-0.113782278116 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 27) Finished k-point number 28 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.804563131776304 0.804731555518592 0.804655953769685 0.804160554639887 0.805241937202038 0.804616726973890 0.804854718132201 0.804605116198370 0.804760863058132 0.804776716823718 0.804788200176431 0.804656431576367 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.036241 tlogG= -0.613268 logG= -0.649508 Density= 3.417432 ETOT(band)= -1.564200 trlgG= -2.222096 logG= -0.649508 TDE= -4.398263 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.035949 tlogG= -0.619338 logG= -0.655287 Density= 3.411769 ETOT(band)= -1.573326 trlgG= -2.235057 logG= -0.655287 TDE= -4.400762 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036103 tlogG= -0.615818 logG= -0.651921 Density= 3.414767 ETOT(band)= -1.568254 trlgG= -2.227718 logG= -0.651921 TDE= -4.399268 logGD-logG0= -0.036139 tlogG= -0.625470 logG= -0.661610 Density= 3.414549 ETOT(band)= -1.575772 trlgG= -2.246302 logG= -0.661610 TDE= -4.407983 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.035728 tlogG= -0.622081 logG= -0.657808 Density= 3.408238 ETOT(band)= -1.578407 trlgG= -2.242278 logG= -0.657808 TDE= -4.402543 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=120 logGD-logG0= -0.035723 tlogG= -0.626645 logG= -0.662367 Density= 3.409220 ETOT(band)= -1.580858 trlgG= -2.249961 logG= -0.662367 TDE= -4.406478 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.035863 tlogG= -0.621753 logG= -0.657616 Density= 3.410339 ETOT(band)= -1.576293 trlgG= -2.239933 logG= -0.657616 TDE= -4.402127 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036433 tlogG= -0.612670 logG= -0.649103 Density= 3.420713 ETOT(band)= -1.561125 trlgG= -2.219962 logG= -0.649103 TDE= -4.399247 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.036090 tlogG= -0.621666 logG= -0.657756 Density= 3.413488 ETOT(band)= -1.573779 trlgG= -2.239550 logG= -0.657756 TDE= -4.404208 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.036258 tlogG= -0.615294 logG= -0.651552 Density= 3.417177 ETOT(band)= -1.565920 trlgG= -2.226178 logG= -0.651552 TDE= -4.400090 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.035774 tlogG= -0.624679 logG= -0.660453 Density= 3.409518 ETOT(band)= -1.579163 trlgG= -2.246054 logG= -0.660453 TDE= -4.404733 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.035937 tlogG= -0.621456 logG= -0.657393 Density= 3.411810 ETOT(band)= -1.574874 trlgG= -2.239237 logG= -0.657393 TDE= -4.402870 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036060 tlogG= -0.623832 logG= -0.659893 Density= 3.413586 ETOT(band)= -1.575385 trlgG= -2.243760 logG= -0.659893 TDE= -4.406363 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.035926 tlogG= -0.617292 logG= -0.653218 Density= 3.411457 ETOT(band)= -1.572137 trlgG= -2.231959 logG= -0.653218 TDE= -4.399475 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.035924 tlogG= -0.624221 logG= -0.660145 Density= 3.412187 ETOT(band)= -1.576696 trlgG= -2.244610 logG= -0.660145 TDE= -4.405803 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.037042 tlogG= -0.608740 logG= -0.645782 Density= 3.428782 ETOT(band)= -1.551738 trlgG= -2.209070 logG= -0.645782 TDE= -4.398347 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.035802 tlogG= -0.622590 logG= -0.658392 Density= 3.409645 ETOT(band)= -1.577542 trlgG= -2.242315 logG= -0.658392 TDE= -4.403159 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.036058 tlogG= -0.618948 logG= -0.655006 Density= 3.413387 ETOT(band)= -1.571730 trlgG= -2.233862 logG= -0.655006 TDE= -4.401186 logGD-logG0= -0.035755 tlogG= -0.620032 logG= -0.655787 Density= 3.408256 ETOT(band)= -1.576891 trlgG= -2.238560 logG= -0.655787 TDE= -4.400861 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036322 tlogG= -0.613113 logG= -0.649435 Density= 3.418711 ETOT(band)= -1.563022 trlgG= -2.220937 logG= -0.649435 TDE= -4.398235 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.036784 tlogG= -0.609544 logG= -0.646327 Density= 3.426034 ETOT(band)= -1.554518 trlgG= -2.211703 logG= -0.646327 TDE= -4.398163 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.036624 tlogG= -0.612041 logG= -0.648664 Density= 3.423013 ETOT(band)= -1.558812 trlgG= -2.217860 logG= -0.648664 TDE= -4.399485 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.035910 tlogG= -0.619502 logG= -0.655412 Density= 3.410729 ETOT(band)= -1.574461 trlgG= -2.236434 logG= -0.655412 TDE= -4.401154 logGD-logG0= -0.036078 tlogG= -0.616959 logG= -0.653037 Density= 3.414065 ETOT(band)= -1.569643 trlgG= -2.229526 logG= -0.653037 TDE= -4.399379 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036415 tlogG= -0.614763 logG= -0.651179 Density= 3.419005 ETOT(band)= -1.564055 trlgG= -2.224552 logG= -0.651179 TDE= -4.400349 logGD-logG0= -0.035964 tlogG= -0.621361 logG= -0.657326 Density= 3.411989 ETOT(band)= -1.574853 trlgG= -2.239797 logG= -0.657326 TDE= -4.403646 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.035864 tlogG= -0.619538 logG= -0.655402 Density= 3.410401 ETOT(band)= -1.574675 trlgG= -2.236442 logG= -0.655402 TDE= -4.400901 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.035716 tlogG= -0.624820 logG= -0.660536 Density= 3.408673 ETOT(band)= -1.580025 trlgG= -2.246963 logG= -0.660536 TDE= -4.404859 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.035930 tlogG= -0.626078 logG= -0.662007 Density= 3.412514 ETOT(band)= -1.577824 trlgG= -2.248001 logG= -0.662007 TDE= -4.407603 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.035945 tlogG= -0.622137 logG= -0.658082 Density= 3.411857 ETOT(band)= -1.575432 trlgG= -2.240838 logG= -0.658082 TDE= -4.403821 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.035961 tlogG= -0.619371 logG= -0.655331 logGD-logG0= -0.035887 tlogG= -0.624346 logG= -0.660233 Density= 3.411718 ETOT(band)= -1.573310 trlgG= -2.234774 logG= -0.655331 TDE= -4.400392 Density= 3.411592 ETOT(band)= -1.577348 trlgG= -2.245336 logG= -0.660233 TDE= -4.405949 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.036082 tlogG= -0.623733 logG= -0.659816 Density= 3.414035 ETOT(band)= -1.574871 trlgG= -2.243177 logG= -0.659816 TDE= -4.406227 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035982 tlogG= -0.619146 logG= -0.655128 Density= 3.412207 ETOT(band)= -1.572699 trlgG= -2.234402 logG= -0.655128 TDE= -4.400630 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036164 tlogG= -0.616590 logG= -0.652754 Density= 3.415648 ETOT(band)= -1.568065 trlgG= -2.228641 logG= -0.652754 TDE= -4.400087 logGD-logG0= -0.035842 tlogG= -0.621745 logG= -0.657587 Density= 3.410333 ETOT(band)= -1.576469 trlgG= -2.240998 logG= -0.657587 TDE= -4.403216 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.035829 tlogG= -0.619774 logG= -0.655603 Density= 3.409622 ETOT(band)= -1.575572 trlgG= -2.237396 logG= -0.655603 TDE= -4.401010 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036125 tlogG= -0.618671 logG= -0.654796 Density= 3.413703 ETOT(band)= -1.571364 trlgG= -2.233606 logG= -0.654796 TDE= -4.401401 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.035996 tlogG= -0.619126 logG= -0.655122 Density= 3.412357 ETOT(band)= -1.572798 trlgG= -2.234944 logG= -0.655122 TDE= -4.401300 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.036693 tlogG= -0.611901 logG= -0.648594 Density= 3.424283 ETOT(band)= -1.557654 trlgG= -2.216738 logG= -0.648594 TDE= -4.399483 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.036164 tlogG= -0.618516 logG= -0.654681 Density= 3.414630 ETOT(band)= -1.570392 trlgG= -2.232681 logG= -0.654681 TDE= -4.401359 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.036256 tlogG= -0.616201 logG= -0.652456 Density= 3.417126 ETOT(band)= -1.566557 trlgG= -2.227421 logG= -0.652456 TDE= -4.400386 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.036505 tlogG= -0.612516 logG= -0.649021 Density= 3.421892 ETOT(band)= -1.560022 trlgG= -2.218871 logG= -0.649021 TDE= -4.399213 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036528 tlogG= -0.610271 logG= -0.646799 Density= 3.421843 ETOT(band)= -1.558383 trlgG= -2.214621 logG= -0.646799 TDE= -4.397145 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036165 tlogG= -0.616479 logG= -0.652644 Density= 3.414924 ETOT(band)= -1.568712 trlgG= -2.229497 logG= -0.652644 TDE= -4.400454 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036046 tlogG= -0.616900 logG= -0.652947 Density= 3.413476 ETOT(band)= -1.570208 trlgG= -2.230726 logG= -0.652947 TDE= -4.400183 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.035945 tlogG= -0.619585 logG= -0.655529 Density= 3.411262 ETOT(band)= -1.573889 trlgG= -2.235152 logG= -0.655529 TDE= -4.400196 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.036015 tlogG= -0.621114 logG= -0.657129 Density= 3.413060 ETOT(band)= -1.573599 trlgG= -2.238349 logG= -0.657129 TDE= -4.403279 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1025.91437141692 eV TrLogG= -1457.37954662933 eV Ratio to renormalize= 1.000689376927 rho-rho_expected=-0.112979930352 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 41) Finished k-point number 42 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 44) Finished k-point number 45 1 with #bands= 107 19) Finished k-point number 20 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.803957593992027 0.804498915143312 0.804259973688990 0.803549348496713 0.805011519501972 0.804221958770423 0.804250822938707 0.804370914086426 0.804366371943447 0.804172448472894 0.804553642221497 0.804261753634754 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.035901 tlogG= -0.622757 logG= -0.658657 Density= 3.412726 ETOT(band)= -1.573276 trlgG= -2.240399 logG= -0.658657 TDE= -4.403526 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.035568 tlogG= -0.625573 logG= -0.661142 Density= 3.408194 ETOT(band)= -1.578903 trlgG= -2.246757 logG= -0.661142 TDE= -4.403652 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=129 logGD-logG0= -0.035710 tlogG= -0.620665 logG= -0.656375 Density= 3.409329 ETOT(band)= -1.574309 trlgG= -2.236749 logG= -0.656375 TDE= -4.399349 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036080 tlogG= -0.612169 logG= -0.648249 Density= 3.416342 ETOT(band)= -1.562254 trlgG= -2.218799 logG= -0.648249 TDE= -4.395324 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036526 tlogG= -0.610802 logG= -0.647328 Density= 3.423285 ETOT(band)= -1.555615 trlgG= -2.213356 logG= -0.647328 TDE= -4.396543 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.035649 tlogG= -0.621508 logG= -0.657156 Density= 3.408644 ETOT(band)= -1.575556 trlgG= -2.239134 logG= -0.657156 TDE= -4.400386 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.035901 tlogG= -0.617858 logG= -0.653759 Density= 3.412398 ETOT(band)= -1.569717 trlgG= -2.230563 logG= -0.653759 TDE= -4.398317 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035771 tlogG= -0.616198 logG= -0.651969 Density= 3.410424 ETOT(band)= -1.570162 trlgG= -2.228700 logG= -0.651969 TDE= -4.396612 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035978 tlogG= -0.624400 logG= -0.660378 Density= 3.413745 ETOT(band)= -1.573619 trlgG= -2.242904 logG= -0.660378 TDE= -4.405151 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.035858 tlogG= -0.620028 logG= -0.655886 Density= 3.412099 ETOT(band)= -1.571566 trlgG= -2.235057 logG= -0.655886 TDE= -4.400435 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.035922 tlogG= -0.615861 logG= -0.651784 Density= 3.413023 ETOT(band)= -1.567667 trlgG= -2.226270 logG= -0.651784 TDE= -4.396516 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035729 tlogG= -0.623270 logG= -0.658999 Density= 3.410642 ETOT(band)= -1.575316 trlgG= -2.242051 logG= -0.658999 TDE= -4.403113 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.035889 tlogG= -0.615807 logG= -0.651696 Density= 3.412441 ETOT(band)= -1.568229 trlgG= -2.227408 logG= -0.651696 TDE= -4.397261 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.035754 tlogG= -0.618412 logG= -0.654166 Density= 3.409741 ETOT(band)= -1.572451 trlgG= -2.233172 logG= -0.654166 TDE= -4.398321 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036252 tlogG= -0.613670 logG= -0.649922 Density= 3.417971 ETOT(band)= -1.562061 trlgG= -2.221215 logG= -0.649922 TDE= -4.397413 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.035792 tlogG= -0.618489 logG= -0.654281 Density= 3.410249 ETOT(band)= -1.571899 trlgG= -2.231970 logG= -0.654281 TDE= -4.397425 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=120 logGD-logG0= -0.035807 tlogG= -0.618276 logG= -0.654083 Density= 3.410697 ETOT(band)= -1.571324 trlgG= -2.231570 logG= -0.654083 TDE= -4.397594 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036097 tlogG= -0.614199 logG= -0.650297 Density= 3.416123 ETOT(band)= -1.563946 trlgG= -2.222859 logG= -0.650297 TDE= -4.397155 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035710 tlogG= -0.618449 logG= -0.654159 Density= 3.409390 ETOT(band)= -1.572689 trlgG= -2.233217 logG= -0.654159 TDE= -4.398084 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.035771 tlogG= -0.625007 logG= -0.660777 Density= 3.411599 ETOT(band)= -1.575767 trlgG= -2.244697 logG= -0.660777 TDE= -4.404772 logGD-logG0= -0.035807 tlogG= -0.620278 logG= -0.656085 Density= 3.411046 ETOT(band)= -1.572807 trlgG= -2.236490 logG= -0.656085 TDE= -4.400799 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036870 tlogG= -0.607639 logG= -0.644509 Density= 3.427855 ETOT(band)= -1.549630 trlgG= -2.205617 logG= -0.644509 TDE= -4.395402 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.035620 tlogG= -0.623601 logG= -0.659221 Density= 3.408503 ETOT(band)= -1.577193 trlgG= -2.242841 logG= -0.659221 TDE= -4.401912 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.035576 tlogG= -0.620996 logG= -0.656571 Density= 3.407275 ETOT(band)= -1.576392 trlgG= -2.239075 logG= -0.656571 TDE= -4.399780 logGD-logG0= -0.036269 tlogG= -0.611571 logG= -0.647840 Density= 3.419632 ETOT(band)= -1.559161 trlgG= -2.216651 logG= -0.647840 TDE= -4.396305 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.035794 tlogG= -0.618248 logG= -0.654042 Density= 3.410743 ETOT(band)= -1.571349 trlgG= -2.231824 logG= -0.654042 TDE= -4.397926 22) Finished k-point 23 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.035839 tlogG= -0.618038 logG= -0.653877 Density= 3.411379 ETOT(band)= -1.570779 trlgG= -2.231670 logG= -0.653877 TDE= -4.398463 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.035781 tlogG= -0.620369 logG= -0.656151 Density= 3.410816 ETOT(band)= -1.572871 trlgG= -2.235974 logG= -0.656151 TDE= -4.400028 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036457 tlogG= -0.610943 logG= -0.647400 Density= 3.421986 ETOT(band)= -1.556799 trlgG= -2.214503 logG= -0.647400 TDE= -4.396543 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.036006 tlogG= -0.615493 logG= -0.651499 Density= 3.414601 ETOT(band)= -1.566088 trlgG= -2.225340 logG= -0.651499 TDE= -4.397175 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.035687 tlogG= -0.620661 logG= -0.656348 Density= 3.409355 ETOT(band)= -1.574458 trlgG= -2.237723 logG= -0.656348 TDE= -4.400371 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036161 tlogG= -0.612013 logG= -0.648173 Density= 3.417648 ETOT(band)= -1.561050 trlgG= -2.217617 logG= -0.648173 TDE= -4.395297 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.035767 tlogG= -0.623144 logG= -0.658910 Density= 3.411238 ETOT(band)= -1.574663 trlgG= -2.241324 logG= -0.658910 TDE= -4.402967 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.035563 tlogG= -0.623743 logG= -0.659306 Density= 3.407673 ETOT(band)= -1.578045 trlgG= -2.243751 logG= -0.659306 TDE= -4.402051 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035923 tlogG= -0.622657 logG= -0.658579 Density= 3.413174 ETOT(band)= -1.572761 trlgG= -2.239816 logG= -0.658579 TDE= -4.403390 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.035946 tlogG= -0.614723 logG= -0.650668 Density= 3.413696 ETOT(band)= -1.566301 trlgG= -2.224466 logG= -0.650668 TDE= -4.396383 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.035676 tlogG= -0.618683 logG= -0.654358 Density= 3.408642 ETOT(band)= -1.573559 trlgG= -2.234175 logG= -0.654358 TDE= -4.398224 logGD-logG0= -0.035931 tlogG= -0.620586 logG= -0.656517 Density= 3.412585 ETOT(band)= -1.571702 trlgG= -2.236217 logG= -0.656517 TDE= -4.401367 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.035788 tlogG= -0.621056 logG= -0.656844 Density= 3.410908 ETOT(band)= -1.573396 trlgG= -2.237547 logG= -0.656844 TDE= -4.400983 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036005 tlogG= -0.617428 logG= -0.653433 Density= 3.413659 ETOT(band)= -1.568362 trlgG= -2.229338 logG= -0.653433 TDE= -4.398461 logGD-logG0= -0.035966 tlogG= -0.617584 logG= -0.653550 Density= 3.412750 ETOT(band)= -1.569323 trlgG= -2.230273 logG= -0.653550 TDE= -4.398526 logGD-logG0= -0.035603 tlogG= -0.618940 logG= -0.654544 Density= 3.407315 ETOT(band)= -1.574851 trlgG= -2.235380 logG= -0.654544 TDE= -4.398146 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.036615 tlogG= -0.608441 logG= -0.645056 Density= 3.425017 ETOT(band)= -1.552489 trlgG= -2.208326 logG= -0.645056 TDE= -4.395216 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.035827 tlogG= -0.618053 logG= -0.653879 Density= 3.411168 ETOT(band)= -1.570728 trlgG= -2.231149 logG= -0.653879 TDE= -4.397765 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036006 tlogG= -0.615386 logG= -0.651392 Density= 3.413899 ETOT(band)= -1.566720 trlgG= -2.226164 logG= -0.651392 TDE= -4.397526 logGD-logG0= -0.036340 tlogG= -0.611416 logG= -0.647757 Density= 3.420835 ETOT(band)= -1.558036 trlgG= -2.215541 logG= -0.647757 TDE= -4.396272 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036095 tlogG= -0.615106 logG= -0.651201 Density= 3.416077 ETOT(band)= -1.564578 trlgG= -2.224114 logG= -0.651201 TDE= -4.397467 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036364 tlogG= -0.609168 logG= -0.645533 Density= 3.420778 ETOT(band)= -1.556405 trlgG= -2.211286 logG= -0.645533 TDE= -4.394195 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1024.60147229875 eV TrLogG= -1454.69582547097 eV Ratio to renormalize= 1.000980736229 rho-rho_expected=-0.160683153808 nargs= 1 argi=dmft2.def 14) Finished k-point number 15 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 34) Finished k-point number 35 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 12) Finished k-point number 13 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.803834306546739 0.804404862119080 0.804142885062178 0.803425523086034 0.804916758426746 0.804105819080145 0.804128212950839 0.804275039208397 0.804250144599167 0.804049790614735 0.804457893054904 0.804145716382840 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.036517 tlogG= -0.620242 logG= -0.656759 Density= 3.413243 ETOT(band)= -1.570500 trlgG= -2.235087 logG= -0.656759 TDE= -4.400539 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036323 tlogG= -0.625533 logG= -0.661857 Density= 3.411865 ETOT(band)= -1.575438 trlgG= -2.244178 logG= -0.661857 TDE= -4.403393 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.036513 tlogG= -0.620624 logG= -0.657137 Density= 3.413673 ETOT(band)= -1.570334 trlgG= -2.233666 logG= -0.657137 TDE= -4.399096 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036574 tlogG= -0.618210 logG= -0.654784 Density= 3.414314 ETOT(band)= -1.567987 trlgG= -2.229353 logG= -0.654784 TDE= -4.397665 22) Finished k-point 23 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036416 tlogG= -0.621469 logG= -0.657885 Density= 3.412623 ETOT(band)= -1.571846 trlgG= -2.236320 logG= -0.657885 TDE= -4.400133 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036785 tlogG= -0.612138 logG= -0.648922 Density= 3.417215 ETOT(band)= -1.561011 trlgG= -2.218476 logG= -0.648922 TDE= -4.395049 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036630 tlogG= -0.624363 logG= -0.660993 Density= 3.414550 ETOT(band)= -1.572364 trlgG= -2.242594 logG= -0.660993 TDE= -4.404893 logGD-logG0= -0.036522 tlogG= -0.616162 logG= -0.652684 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 Density= 3.413859 ETOT(band)= -1.566886 trlgG= -2.226311 logG= -0.652684 TDE= -4.396347 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036576 tlogG= -0.622720 logG= -0.659296 Density= 3.413961 ETOT(band)= -1.571703 trlgG= -2.239758 logG= -0.659296 TDE= -4.403266 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036658 tlogG= -0.617551 logG= -0.654209 Density= 3.414678 ETOT(band)= -1.567214 trlgG= -2.229074 logG= -0.654209 TDE= -4.398263 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.036924 tlogG= -0.611541 logG= -0.648466 Density= 3.418791 ETOT(band)= -1.559256 trlgG= -2.217697 logG= -0.648466 TDE= -4.396029 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.036687 tlogG= -0.614689 logG= -0.651376 Density= 3.415778 ETOT(band)= -1.564117 trlgG= -2.223183 logG= -0.651376 TDE= -4.396115 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036545 tlogG= -0.620331 logG= -0.656876 Density= 3.413931 ETOT(band)= -1.569860 trlgG= -2.233864 logG= -0.656876 TDE= -4.399768 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037397 tlogG= -0.607613 logG= -0.645010 Density= 3.424635 ETOT(band)= -1.551495 trlgG= -2.208507 logG= -0.645010 TDE= -4.395127 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036489 tlogG= -0.618377 logG= -0.654867 Density= 3.412859 ETOT(band)= -1.569429 trlgG= -2.231038 logG= -0.654867 TDE= -4.398065 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036640 tlogG= -0.617822 logG= -0.654462 Density= 3.414883 ETOT(band)= -1.567196 trlgG= -2.228948 logG= -0.654462 TDE= -4.398053 logGD-logG0= -0.036584 tlogG= -0.618019 logG= -0.654603 Density= 3.414259 ETOT(band)= -1.567736 trlgG= -2.229056 logG= -0.654603 TDE= -4.397504 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037130 tlogG= -0.610774 logG= -0.647904 Density= 3.421266 ETOT(band)= -1.556596 trlgG= -2.215327 logG= -0.647904 TDE= -4.396268 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.036564 tlogG= -0.618003 logG= -0.654567 Density= 3.413987 ETOT(band)= -1.568148 trlgG= -2.229944 logG= -0.654567 TDE= -4.398204 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.036371 tlogG= -0.618901 logG= -0.655272 Density= 3.412130 ETOT(band)= -1.570450 trlgG= -2.231881 logG= -0.655272 TDE= -4.397899 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.036447 tlogG= -0.623232 logG= -0.659679 Density= 3.412921 ETOT(band)= -1.572943 trlgG= -2.240587 logG= -0.659679 TDE= -4.402853 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036394 tlogG= -0.623561 logG= -0.659955 Density= 3.412472 ETOT(band)= -1.573499 trlgG= -2.240035 logG= -0.659955 TDE= -4.401654 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.036906 tlogG= -0.613639 logG= -0.650545 Density= 3.417915 ETOT(band)= -1.561522 trlgG= -2.221610 logG= -0.650545 TDE= -4.397139 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.036494 tlogG= -0.623105 logG= -0.659599 Density= 3.413474 ETOT(band)= -1.572329 trlgG= -2.239904 logG= -0.659599 TDE= -4.402707 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.036872 tlogG= -0.611981 logG= -0.648854 Density= 3.418276 ETOT(band)= -1.560008 trlgG= -2.217503 logG= -0.648854 TDE= -4.395022 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036338 tlogG= -0.620957 logG= -0.657295 Density= 3.411815 ETOT(band)= -1.572214 trlgG= -2.235793 logG= -0.657295 TDE= -4.399529 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.036474 tlogG= -0.624968 logG= -0.661442 Density= 3.413311 ETOT(band)= -1.573835 trlgG= -2.243687 logG= -0.661442 TDE= -4.404513 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.037016 tlogG= -0.609141 logG= -0.646157 Density= 3.420286 ETOT(band)= -1.556204 trlgG= -2.212042 logG= -0.646157 TDE= -4.393920 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036749 tlogG= -0.615459 logG= -0.652208 Density= 3.416365 ETOT(band)= -1.564159 trlgG= -2.224319 logG= -0.652208 TDE= -4.396904 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036515 tlogG= -0.621019 logG= -0.657534 Density= 3.413513 ETOT(band)= -1.570763 trlgG= -2.235823 logG= -0.657534 TDE= -4.400724 logGD-logG0= -0.036428 tlogG= -0.618646 logG= -0.655073 Density= 3.412532 ETOT(band)= -1.569914 trlgG= -2.231420 logG= -0.655073 TDE= -4.397970 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037066 tlogG= -0.610914 logG= -0.647980 Density= 3.420208 ETOT(band)= -1.557599 trlgG= -2.216278 logG= -0.647980 TDE= -4.396269 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.036468 tlogG= -0.618413 logG= -0.654881 Density= 3.413176 ETOT(band)= -1.569131 trlgG= -2.230551 logG= -0.654881 TDE= -4.397826 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036706 tlogG= -0.615825 logG= -0.652531 Density= 3.415928 ETOT(band)= -1.564852 trlgG= -2.224350 logG= -0.652531 TDE= -4.396251 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.036320 tlogG= -0.623703 logG= -0.660024 Density= 3.411731 ETOT(band)= -1.574263 trlgG= -2.240857 logG= -0.660024 TDE= -4.401794 logGD-logG0= -0.036425 tlogG= -0.620623 logG= -0.657048 Density= 3.412568 ETOT(band)= -1.571350 trlgG= -2.235507 logG= -0.657048 TDE= -4.400111 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036618 tlogG= -0.620551 logG= -0.657168 Density= 3.414337 ETOT(band)= -1.569722 trlgG= -2.235160 logG= -0.657168 TDE= -4.401108 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.036794 tlogG= -0.614167 logG= -0.650961 Density= 3.416877 ETOT(band)= -1.562793 trlgG= -2.222625 logG= -0.650961 TDE= -4.396881 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036611 tlogG= -0.615772 logG= -0.652384 Density= 3.414650 ETOT(band)= -1.565927 trlgG= -2.225998 logG= -0.652384 TDE= -4.396989 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036602 tlogG= -0.622621 logG= -0.659223 Density= 3.414387 ETOT(band)= -1.571204 trlgG= -2.239197 logG= -0.659223 TDE= -4.403131 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.036705 tlogG= -0.617394 logG= -0.654099 Density= 3.415446 ETOT(band)= -1.566370 trlgG= -2.228260 logG= -0.654099 TDE= -4.398193 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.036617 tlogG= -0.618448 logG= -0.655065 Density= 3.414793 ETOT(band)= -1.567780 trlgG= -2.228744 logG= -0.655065 TDE= -4.397172 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.036700 tlogG= -0.615354 logG= -0.652054 Density= 3.415293 ETOT(band)= -1.565056 trlgG= -2.225401 logG= -0.652054 TDE= -4.397253 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036582 tlogG= -0.619993 logG= -0.656575 Density= 3.414245 ETOT(band)= -1.569302 trlgG= -2.233711 logG= -0.656575 TDE= -4.400175 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036998 tlogG= -0.611387 logG= -0.648385 Density= 3.419774 ETOT(band)= -1.558303 trlgG= -2.216771 logG= -0.648385 TDE= -4.395997 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037203 tlogG= -0.608415 logG= -0.645618 Density= 3.422536 ETOT(band)= -1.553822 trlgG= -2.210664 logG= -0.645618 TDE= -4.394941 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036796 tlogG= -0.615074 logG= -0.651870 Density= 3.416877 ETOT(band)= -1.563388 trlgG= -2.223851 logG= -0.651870 TDE= -4.397196 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.036597 tlogG= -0.618239 logG= -0.654836 Density= 3.414476 ETOT(band)= -1.567801 trlgG= -2.228944 logG= -0.654836 TDE= -4.397339 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 Sum of eigenvalues= -1023.22444820901 eV TrLogG= -1454.96814519883 eV Ratio to renormalize= 1.000410629547 rho-rho_expected=-0.067315603890 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 42) Finished k-point number 43 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 9) Finished k-point number 10 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 2) Finished k-point number 3 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.804054607122204 0.804480132766064 0.804204655179379 0.803647806377729 0.804989376081177 0.804168577180908 0.804348437132939 0.804350935395064 0.804311628631706 0.804270921624111 0.804532182453279 0.804207669321539 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.036553 tlogG= -0.616136 logG= -0.652690 Density= 3.413995 ETOT(band)= -1.566901 trlgG= -2.226325 logG= -0.652690 TDE= -4.396468 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036544 tlogG= -0.620600 logG= -0.657144 Density= 3.413813 ETOT(band)= -1.570347 trlgG= -2.233674 logG= -0.657144 TDE= -4.399213 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036577 tlogG= -0.620306 logG= -0.656882 Density= 3.414065 ETOT(band)= -1.569878 trlgG= -2.233885 logG= -0.656882 TDE= -4.399894 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.036662 tlogG= -0.624335 logG= -0.660997 Density= 3.414667 ETOT(band)= -1.572393 trlgG= -2.242624 logG= -0.660997 TDE= -4.405015 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.036506 tlogG= -0.624940 logG= -0.661446 Density= 3.413439 ETOT(band)= -1.573855 trlgG= -2.243709 logG= -0.661446 TDE= -4.404636 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.036352 tlogG= -0.623677 logG= -0.660028 Density= 3.411872 ETOT(band)= -1.574273 trlgG= -2.240865 logG= -0.660028 TDE= -4.401914 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.036718 tlogG= -0.614664 logG= -0.651382 Density= 3.415910 ETOT(band)= -1.564137 trlgG= -2.223203 logG= -0.651382 TDE= -4.396238 logGD-logG0= -0.036937 tlogG= -0.613613 logG= -0.650550 Density= 3.418033 ETOT(band)= -1.561551 trlgG= -2.221645 logG= -0.650550 TDE= -4.397266 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.036825 tlogG= -0.614142 logG= -0.650966 Density= 3.417002 ETOT(band)= -1.562818 trlgG= -2.222656 logG= -0.650966 TDE= -4.397009 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036827 tlogG= -0.615049 logG= -0.651876 Density= 3.416998 ETOT(band)= -1.563416 trlgG= -2.223882 logG= -0.651876 TDE= -4.397322 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037161 tlogG= -0.610749 logG= -0.647909 Density= 3.421375 ETOT(band)= -1.556635 trlgG= -2.215370 logG= -0.647909 TDE= -4.396396 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.036499 tlogG= -0.618387 logG= -0.654886 Density= 3.413314 ETOT(band)= -1.569144 trlgG= -2.230561 logG= -0.654886 TDE= -4.397945 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036690 tlogG= -0.617524 logG= -0.654214 Density= 3.414804 ETOT(band)= -1.567236 trlgG= -2.229098 logG= -0.654214 TDE= -4.398386 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.036671 tlogG= -0.617797 logG= -0.654468 Density= 3.415012 ETOT(band)= -1.567217 trlgG= -2.228971 logG= -0.654468 TDE= -4.398177 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036355 tlogG= -0.625506 logG= -0.661861 Density= 3.412005 ETOT(band)= -1.575448 trlgG= -2.244189 logG= -0.661861 TDE= -4.403516 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.036605 tlogG= -0.618185 logG= -0.654790 Density= 3.414451 ETOT(band)= -1.568003 trlgG= -2.229369 logG= -0.654790 TDE= -4.397789 22) Finished k-point 23 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036447 tlogG= -0.621443 logG= -0.657890 Density= 3.412762 ETOT(band)= -1.571859 trlgG= -2.236325 logG= -0.657890 TDE= -4.400249 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036425 tlogG= -0.623535 logG= -0.659960 Density= 3.412613 ETOT(band)= -1.573510 trlgG= -2.240047 logG= -0.659960 TDE= -4.401777 logGD-logG0= -0.036521 tlogG= -0.618350 logG= -0.654871 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 Density= 3.412993 ETOT(band)= -1.569444 trlgG= -2.231053 logG= -0.654871 TDE= -4.398186 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036780 tlogG= -0.615434 logG= -0.652214 Density= 3.416492 ETOT(band)= -1.564184 trlgG= -2.224347 logG= -0.652214 TDE= -4.397031 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037029 tlogG= -0.611362 logG= -0.648391 Density= 3.419890 ETOT(band)= -1.558336 trlgG= -2.216809 logG= -0.648391 TDE= -4.396126 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036736 tlogG= -0.617368 logG= -0.654104 Density= 3.415570 ETOT(band)= -1.566395 trlgG= -2.228289 logG= -0.654104 TDE= -4.398319 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.037097 tlogG= -0.610888 logG= -0.647985 Density= 3.420323 ETOT(band)= -1.557632 trlgG= -2.216317 logG= -0.647985 TDE= -4.396397 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.036649 tlogG= -0.620524 logG= -0.657173 Density= 3.414461 ETOT(band)= -1.569747 trlgG= -2.235186 logG= -0.657173 TDE= -4.401232 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.036607 tlogG= -0.622693 logG= -0.659300 Density= 3.414083 ETOT(band)= -1.571728 trlgG= -2.239784 logG= -0.659300 TDE= -4.403390 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036595 tlogG= -0.617977 logG= -0.654572 Density= 3.414118 ETOT(band)= -1.568166 trlgG= -2.229961 logG= -0.654572 TDE= -4.398324 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036955 tlogG= -0.611516 logG= -0.648471 Density= 3.418911 ETOT(band)= -1.559284 trlgG= -2.217732 logG= -0.648471 TDE= -4.396158 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037428 tlogG= -0.607588 logG= -0.645015 Density= 3.424737 ETOT(band)= -1.551539 trlgG= -2.208556 logG= -0.645015 TDE= -4.395256 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.036402 tlogG= -0.618876 logG= -0.655278 Density= 3.412269 ETOT(band)= -1.570462 trlgG= -2.231877 logG= -0.655278 TDE= -4.398005 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.036526 tlogG= -0.623078 logG= -0.659604 Density= 3.413605 ETOT(band)= -1.572348 trlgG= -2.239925 logG= -0.659604 TDE= -4.402831 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.036478 tlogG= -0.623205 logG= -0.659683 Density= 3.413052 ETOT(band)= -1.572960 trlgG= -2.240607 logG= -0.659683 TDE= -4.402977 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036628 tlogG= -0.618214 logG= -0.654842 Density= 3.414611 ETOT(band)= -1.567819 trlgG= -2.228958 logG= -0.654842 TDE= -4.397458 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.036459 tlogG= -0.618619 logG= -0.655078 Density= 3.412669 ETOT(band)= -1.569928 trlgG= -2.231430 logG= -0.655078 TDE= -4.398088 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036648 tlogG= -0.618424 logG= -0.655072 Density= 3.414933 ETOT(band)= -1.567796 trlgG= -2.228753 logG= -0.655072 TDE= -4.397289 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.036816 tlogG= -0.612113 logG= -0.648928 Density= 3.417344 ETOT(band)= -1.561034 trlgG= -2.218504 logG= -0.648928 TDE= -4.395178 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037234 tlogG= -0.608390 logG= -0.645624 Density= 3.422647 ETOT(band)= -1.553859 trlgG= -2.210707 logG= -0.645624 TDE= -4.395070 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036548 tlogG= -0.620215 logG= -0.656764 Density= 3.413373 ETOT(band)= -1.570519 trlgG= -2.235110 logG= -0.656764 TDE= -4.400664 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036732 tlogG= -0.615327 logG= -0.652059 Density= 3.415420 ETOT(band)= -1.565078 trlgG= -2.225428 logG= -0.652059 TDE= -4.397380 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036634 tlogG= -0.622593 logG= -0.659227 Density= 3.414508 ETOT(band)= -1.571231 trlgG= -2.239225 logG= -0.659227 TDE= -4.403255 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036613 tlogG= -0.619967 logG= -0.656580 Density= 3.414372 ETOT(band)= -1.569325 trlgG= -2.233735 logG= -0.656580 TDE= -4.400300 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037047 tlogG= -0.609117 logG= -0.646163 Density= 3.420407 ETOT(band)= -1.556233 trlgG= -2.212079 logG= -0.646163 TDE= -4.394050 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036456 tlogG= -0.620597 logG= -0.657053 Density= 3.412703 ETOT(band)= -1.571365 trlgG= -2.235525 logG= -0.657053 TDE= -4.400237 logGD-logG0= -0.036737 tlogG= -0.615801 logG= -0.652538 Density= 3.416061 ETOT(band)= -1.564872 trlgG= -2.224371 logG= -0.652538 TDE= -4.396374 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036642 tlogG= -0.615746 logG= -0.652389 Density= 3.414781 ETOT(band)= -1.565946 trlgG= -2.226022 logG= -0.652389 TDE= -4.397116 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036369 tlogG= -0.620931 logG= -0.657300 Density= 3.411955 ETOT(band)= -1.572225 trlgG= -2.235795 logG= -0.657300 TDE= -4.399641 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.036546 tlogG= -0.620992 logG= -0.657539 Density= 3.413644 ETOT(band)= -1.570782 trlgG= -2.235844 logG= -0.657539 TDE= -4.400848 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036615 tlogG= -0.617994 logG= -0.654609 Density= 3.414391 ETOT(band)= -1.567756 trlgG= -2.229076 logG= -0.654609 TDE= -4.397627 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036903 tlogG= -0.611957 logG= -0.648860 Density= 3.418402 ETOT(band)= -1.560034 trlgG= -2.217535 logG= -0.648860 TDE= -4.395151 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Sum of eigenvalues= -1023.23848675343 eV TrLogG= -1455.05228468187 eV Ratio to renormalize= 1.000372966089 rho-rho_expected=-0.061143634071 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 5) Finished k-point number 6 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 4) Finished k-point number 5 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 12) Finished k-point number 13 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.803795304877166 0.804365273824283 0.804067525044615 0.803386036235770 0.804877359495805 0.804030595306368 0.804088652532240 0.804235859558108 0.804174340956301 0.804010496766080 0.804418233814156 0.804070229567465 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.036659 tlogG= -0.618268 logG= -0.654927 Density= 3.415025 ETOT(band)= -1.568036 trlgG= -2.230262 logG= -0.654927 TDE= -4.399019 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037419 tlogG= -0.608062 logG= -0.645480 Density= 3.424814 ETOT(band)= -1.552314 trlgG= -2.209810 logG= -0.645480 TDE= -4.396107 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036816 tlogG= -0.615520 logG= -0.652337 Density= 3.417030 ETOT(band)= -1.564221 trlgG= -2.225165 logG= -0.652337 TDE= -4.398171 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.036435 tlogG= -0.621913 logG= -0.658348 Density= 3.412758 ETOT(band)= -1.572691 trlgG= -2.237622 logG= -0.658348 TDE= -4.401083 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036706 tlogG= -0.615135 logG= -0.651841 Density= 3.415930 ETOT(band)= -1.564950 trlgG= -2.224493 logG= -0.651841 TDE= -4.397085 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.036390 tlogG= -0.619346 logG= -0.655735 Density= 3.412258 ETOT(band)= -1.571299 trlgG= -2.233177 logG= -0.655735 TDE= -4.398838 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.036536 tlogG= -0.620688 logG= -0.657224 Density= 3.413370 ETOT(band)= -1.571352 trlgG= -2.236408 logG= -0.657224 TDE= -4.401500 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036357 tlogG= -0.621401 logG= -0.657758 Density= 3.411944 ETOT(band)= -1.573063 trlgG= -2.237096 logG= -0.657758 TDE= -4.400475 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.036650 tlogG= -0.624809 logG= -0.661459 Density= 3.414680 ETOT(band)= -1.573216 trlgG= -2.243913 logG= -0.661459 TDE= -4.405854 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.036413 tlogG= -0.624005 logG= -0.660418 Density= 3.412608 ETOT(band)= -1.574343 trlgG= -2.241345 logG= -0.660418 TDE= -4.402613 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036339 tlogG= -0.624148 logG= -0.660487 Density= 3.411862 ETOT(band)= -1.575111 trlgG= -2.242168 logG= -0.660487 TDE= -4.402750 logGD-logG0= -0.036565 tlogG= -0.620776 logG= -0.657341 Density= 3.414071 ETOT(band)= -1.570702 trlgG= -2.235174 logG= -0.657341 TDE= -4.400728 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.036893 tlogG= -0.612428 logG= -0.649320 Density= 3.418442 ETOT(band)= -1.560832 trlgG= -2.218811 logG= -0.649320 TDE= -4.396001 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036493 tlogG= -0.625413 logG= -0.661906 Density= 3.413444 ETOT(band)= -1.574683 trlgG= -2.245003 logG= -0.661906 TDE= -4.405474 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.036595 tlogG= -0.623166 logG= -0.659761 Density= 3.414090 ETOT(band)= -1.572555 trlgG= -2.241077 logG= -0.659761 TDE= -4.404227 logGD-logG0= -0.036342 tlogG= -0.625978 logG= -0.662320 Density= 3.411998 ETOT(band)= -1.576284 trlgG= -2.245493 logG= -0.662320 TDE= -4.404354 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.036805 tlogG= -0.612584 logG= -0.649389 Density= 3.417375 ETOT(band)= -1.561840 trlgG= -2.219788 logG= -0.649389 TDE= -4.396027 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036583 tlogG= -0.618449 logG= -0.655032 Density= 3.414123 ETOT(band)= -1.568993 trlgG= -2.231256 logG= -0.655032 TDE= -4.399163 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036945 tlogG= -0.611988 logG= -0.648933 Density= 3.418955 ETOT(band)= -1.560081 trlgG= -2.219007 logG= -0.648933 TDE= -4.397008 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036514 tlogG= -0.623550 logG= -0.660064 Density= 3.413610 ETOT(band)= -1.573175 trlgG= -2.241218 logG= -0.660064 TDE= -4.403668 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.036508 tlogG= -0.618823 logG= -0.655331 Density= 3.412986 ETOT(band)= -1.570281 trlgG= -2.232353 logG= -0.655331 TDE= -4.399021 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037037 tlogG= -0.609589 logG= -0.646625 Density= 3.420459 ETOT(band)= -1.557024 trlgG= -2.213348 logG= -0.646625 TDE= -4.394900 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036678 tlogG= -0.617997 logG= -0.654675 Density= 3.414812 ETOT(band)= -1.568062 trlgG= -2.230394 logG= -0.654675 TDE= -4.399228 logGD-logG0= -0.036594 tlogG= -0.618655 logG= -0.655248 Density= 3.414458 ETOT(band)= -1.568825 trlgG= -2.230659 logG= -0.655248 TDE= -4.398626 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036444 tlogG= -0.621068 logG= -0.657512 Density= 3.412696 ETOT(band)= -1.572200 trlgG= -2.236825 logG= -0.657512 TDE= -4.401072 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036601 tlogG= -0.620439 logG= -0.657040 Density= 3.414382 ETOT(band)= -1.570147 trlgG= -2.235023 logG= -0.657040 TDE= -4.401136 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037151 tlogG= -0.611222 logG= -0.648373 Density= 3.421437 ETOT(band)= -1.557419 trlgG= -2.216634 logG= -0.648373 TDE= -4.397247 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.036532 tlogG= -0.621068 logG= -0.657601 Density= 3.413815 ETOT(band)= -1.571173 trlgG= -2.234963 logG= -0.657601 TDE= -4.400045 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036487 tlogG= -0.618857 logG= -0.655345 Density= 3.413312 ETOT(band)= -1.569975 trlgG= -2.231859 logG= -0.655345 TDE= -4.398782 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036720 tlogG= -0.615800 logG= -0.652520 Density= 3.415432 ETOT(band)= -1.565899 trlgG= -2.226728 logG= -0.652520 TDE= -4.398229 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037086 tlogG= -0.611362 logG= -0.648448 Density= 3.420374 ETOT(band)= -1.558425 trlgG= -2.217589 logG= -0.648448 TDE= -4.397248 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.036814 tlogG= -0.614614 logG= -0.651427 Density= 3.417031 ETOT(band)= -1.563625 trlgG= -2.223943 logG= -0.651427 TDE= -4.397859 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036466 tlogG= -0.623677 logG= -0.660143 Density= 3.413052 ETOT(band)= -1.573792 trlgG= -2.241904 logG= -0.660143 TDE= -4.403814 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036724 tlogG= -0.617841 logG= -0.654565 Density= 3.415587 ETOT(band)= -1.567212 trlgG= -2.229580 logG= -0.654565 TDE= -4.399164 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.036446 tlogG= -0.619091 logG= -0.655537 Density= 3.412660 ETOT(band)= -1.570765 trlgG= -2.232728 logG= -0.655537 TDE= -4.398921 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036926 tlogG= -0.614086 logG= -0.651013 Density= 3.418068 ETOT(band)= -1.562356 trlgG= -2.222929 logG= -0.651013 TDE= -4.398117 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.036622 tlogG= -0.623066 logG= -0.659688 Density= 3.414520 ETOT(band)= -1.572053 trlgG= -2.240513 logG= -0.659688 TDE= -4.404092 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036769 tlogG= -0.615905 logG= -0.652673 Density= 3.416518 ETOT(band)= -1.564992 trlgG= -2.225631 logG= -0.652673 TDE= -4.397877 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036541 tlogG= -0.616607 logG= -0.653148 Density= 3.413998 ETOT(band)= -1.567727 trlgG= -2.227625 logG= -0.653148 TDE= -4.397312 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037019 tlogG= -0.611833 logG= -0.648852 Density= 3.419944 ETOT(band)= -1.559124 trlgG= -2.218077 logG= -0.648852 TDE= -4.396976 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036726 tlogG= -0.616270 logG= -0.652996 Density= 3.416081 ETOT(band)= -1.565684 trlgG= -2.225654 logG= -0.652996 TDE= -4.397216 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.036616 tlogG= -0.618684 logG= -0.655300 Density= 3.414619 ETOT(band)= -1.568639 trlgG= -2.230241 logG= -0.655300 TDE= -4.398290 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.036603 tlogG= -0.618464 logG= -0.655068 Density= 3.414400 ETOT(band)= -1.568577 trlgG= -2.230364 logG= -0.655068 TDE= -4.398465 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036534 tlogG= -0.621464 logG= -0.657998 Density= 3.413647 ETOT(band)= -1.571610 trlgG= -2.237138 logG= -0.657998 TDE= -4.401685 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036637 tlogG= -0.620997 logG= -0.657634 Density= 3.414469 ETOT(band)= -1.570572 trlgG= -2.236478 logG= -0.657634 TDE= -4.402069 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.036636 tlogG= -0.618892 logG= -0.655529 Density= 3.414941 ETOT(band)= -1.568615 trlgG= -2.230032 logG= -0.655529 TDE= -4.398119 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.037225 tlogG= -0.608863 logG= -0.646087 Density= 3.422715 ETOT(band)= -1.554638 trlgG= -2.211965 logG= -0.646087 TDE= -4.395920 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036630 tlogG= -0.616218 logG= -0.652849 Density= 3.414790 ETOT(band)= -1.566769 trlgG= -2.227321 logG= -0.652849 TDE= -4.397963 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1023.77276627691 eV TrLogG= -1455.90197403663 eV Ratio to renormalize= 1.000368510635 rho-rho_expected=-0.060413481089 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 19) Finished k-point number 20 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 43) Finished k-point number 44 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 4) Finished k-point number 5 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 8) Finished k-point number 9 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.803694161567800 0.804311126456156 0.804005618936961 0.803284132755366 0.804824276951965 0.803968758441855 0.803987450360544 0.804181752088691 0.804112524550326 0.803909101965791 0.804364424554295 0.804008240218010 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.036566 tlogG= -0.621155 logG= -0.657721 Density= 3.414107 ETOT(band)= -1.571333 trlgG= -2.236186 logG= -0.657721 TDE= -4.401390 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036707 tlogG= -0.615514 logG= -0.652222 Density= 3.415974 ETOT(band)= -1.565576 trlgG= -2.225506 logG= -0.652222 TDE= -4.397754 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036815 tlogG= -0.614994 logG= -0.651809 Density= 3.417079 ETOT(band)= -1.564249 trlgG= -2.224958 logG= -0.651809 TDE= -4.398532 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036650 tlogG= -0.625190 logG= -0.661841 Density= 3.414715 ETOT(band)= -1.573850 trlgG= -2.244930 logG= -0.661841 TDE= -4.406517 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.036466 tlogG= -0.624057 logG= -0.660523 Density= 3.413084 ETOT(band)= -1.574427 trlgG= -2.242920 logG= -0.660523 TDE= -4.404476 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036594 tlogG= -0.619034 logG= -0.655629 Density= 3.414496 ETOT(band)= -1.569454 trlgG= -2.231671 logG= -0.655629 TDE= -4.399290 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036343 tlogG= -0.626358 logG= -0.662701 Density= 3.412028 ETOT(band)= -1.576921 trlgG= -2.246512 logG= -0.662701 TDE= -4.405017 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.036806 tlogG= -0.612964 logG= -0.649770 Density= 3.417424 ETOT(band)= -1.562461 trlgG= -2.220801 logG= -0.649770 TDE= -4.396699 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036390 tlogG= -0.619724 logG= -0.656114 Density= 3.412287 ETOT(band)= -1.571935 trlgG= -2.234188 logG= -0.656114 TDE= -4.399494 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.036660 tlogG= -0.618648 logG= -0.655308 Density= 3.415065 ETOT(band)= -1.568665 trlgG= -2.231276 logG= -0.655308 TDE= -4.399685 logGD-logG0= -0.036436 tlogG= -0.622293 logG= -0.658729 Density= 3.412790 ETOT(band)= -1.573326 trlgG= -2.238635 logG= -0.658729 TDE= -4.401743 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036509 tlogG= -0.619203 logG= -0.655711 Density= 3.413017 ETOT(band)= -1.570917 trlgG= -2.233368 logG= -0.655711 TDE= -4.399680 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036533 tlogG= -0.621448 logG= -0.657981 Density= 3.413850 ETOT(band)= -1.571804 trlgG= -2.235972 logG= -0.657981 TDE= -4.400704 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036514 tlogG= -0.623930 logG= -0.660445 Density= 3.413644 ETOT(band)= -1.573808 trlgG= -2.242233 logG= -0.660445 TDE= -4.404331 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.036339 tlogG= -0.624527 logG= -0.660867 Density= 3.411891 ETOT(band)= -1.575748 trlgG= -2.243185 logG= -0.660867 TDE= -4.403412 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.036727 tlogG= -0.616649 logG= -0.653376 Density= 3.416125 ETOT(band)= -1.566308 trlgG= -2.226664 logG= -0.653376 TDE= -4.397882 logGD-logG0= -0.037038 tlogG= -0.609969 logG= -0.647008 Density= 3.420517 ETOT(band)= -1.557640 trlgG= -2.214355 logG= -0.647008 TDE= -4.395572 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.036413 tlogG= -0.624385 logG= -0.660798 Density= 3.412640 ETOT(band)= -1.574978 trlgG= -2.242361 logG= -0.660798 TDE= -4.403275 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.036596 tlogG= -0.623547 logG= -0.660143 Density= 3.414123 ETOT(band)= -1.573190 trlgG= -2.242094 logG= -0.660143 TDE= -4.404890 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037153 tlogG= -0.611603 logG= -0.648756 Density= 3.421500 ETOT(band)= -1.558032 trlgG= -2.217638 logG= -0.648756 TDE= -4.397921 logGD-logG0= -0.036638 tlogG= -0.621377 logG= -0.658015 Density= 3.414505 ETOT(band)= -1.571205 trlgG= -2.237492 logG= -0.658015 TDE= -4.402732 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.036946 tlogG= -0.612369 logG= -0.649315 Density= 3.419011 ETOT(band)= -1.560699 trlgG= -2.220016 logG= -0.649315 TDE= -4.397681 logGD-logG0= -0.037227 tlogG= -0.609244 logG= -0.646471 Density= 3.422781 ETOT(band)= -1.555250 trlgG= -2.212967 logG= -0.646471 TDE= -4.396594 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.036357 tlogG= -0.621780 logG= -0.658137 Density= 3.411972 ETOT(band)= -1.573700 trlgG= -2.238110 logG= -0.658137 TDE= -4.401134 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.036542 tlogG= -0.616986 logG= -0.653528 Density= 3.414034 ETOT(band)= -1.568358 trlgG= -2.228641 logG= -0.653528 TDE= -4.397978 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036444 tlogG= -0.621448 logG= -0.657892 Density= 3.412727 ETOT(band)= -1.572836 trlgG= -2.237841 logG= -0.657892 TDE= -4.401733 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.036494 tlogG= -0.625794 logG= -0.662288 Density= 3.413477 ETOT(band)= -1.575318 trlgG= -2.246020 logG= -0.662288 TDE= -4.406137 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.036604 tlogG= -0.618844 logG= -0.655448 Density= 3.414439 ETOT(band)= -1.569206 trlgG= -2.231376 logG= -0.655448 TDE= -4.399128 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036488 tlogG= -0.619237 logG= -0.655725 Density= 3.413346 ETOT(band)= -1.570608 trlgG= -2.232873 logG= -0.655725 TDE= -4.399444 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037088 tlogG= -0.611743 logG= -0.648831 Density= 3.420432 ETOT(band)= -1.559042 trlgG= -2.218597 logG= -0.648831 TDE= -4.397921 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.037020 tlogG= -0.612214 logG= -0.649234 Density= 3.420003 ETOT(band)= -1.559739 trlgG= -2.219083 logG= -0.649234 TDE= -4.397649 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036927 tlogG= -0.614467 logG= -0.651395 Density= 3.418119 ETOT(band)= -1.562978 trlgG= -2.223943 logG= -0.651395 TDE= -4.398791 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.036536 tlogG= -0.621068 logG= -0.657605 Density= 3.413402 ETOT(band)= -1.571988 trlgG= -2.237424 logG= -0.657605 TDE= -4.402162 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036721 tlogG= -0.616180 logG= -0.652901 Density= 3.415473 ETOT(band)= -1.566528 trlgG= -2.227746 logG= -0.652901 TDE= -4.398900 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036617 tlogG= -0.619062 logG= -0.655680 Density= 3.414658 ETOT(band)= -1.569268 trlgG= -2.231248 logG= -0.655680 TDE= -4.398949 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.036770 tlogG= -0.616284 logG= -0.653054 Density= 3.416565 ETOT(band)= -1.565615 trlgG= -2.226643 logG= -0.653054 TDE= -4.398547 logGD-logG0= -0.036637 tlogG= -0.619271 logG= -0.655908 Density= 3.414980 ETOT(band)= -1.569243 trlgG= -2.231037 logG= -0.655908 TDE= -4.398776 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.037421 tlogG= -0.608443 logG= -0.645865 Density= 3.424883 ETOT(band)= -1.552924 trlgG= -2.210811 logG= -0.645865 TDE= -4.396781 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.036894 tlogG= -0.612808 logG= -0.649702 Density= 3.418495 ETOT(band)= -1.561451 trlgG= -2.219821 logG= -0.649702 TDE= -4.396673 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036725 tlogG= -0.618221 logG= -0.654946 Density= 3.415628 ETOT(band)= -1.567841 trlgG= -2.230596 logG= -0.654946 TDE= -4.399833 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.036535 tlogG= -0.621844 logG= -0.658379 Density= 3.413681 ETOT(band)= -1.572243 trlgG= -2.238153 logG= -0.658379 TDE= -4.402347 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036817 tlogG= -0.615901 logG= -0.652718 Density= 3.417079 ETOT(band)= -1.564843 trlgG= -2.226177 logG= -0.652718 TDE= -4.398842 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.036584 tlogG= -0.618828 logG= -0.655412 Density= 3.414159 ETOT(band)= -1.569625 trlgG= -2.232270 logG= -0.655412 TDE= -4.399826 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036622 tlogG= -0.623447 logG= -0.660070 Density= 3.414556 ETOT(band)= -1.572686 trlgG= -2.241528 logG= -0.660070 TDE= -4.404755 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036602 tlogG= -0.620819 logG= -0.657421 Density= 3.414420 ETOT(band)= -1.570777 trlgG= -2.236035 logG= -0.657421 TDE= -4.401799 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036447 tlogG= -0.619470 logG= -0.655916 Density= 3.412690 ETOT(band)= -1.571400 trlgG= -2.233741 logG= -0.655916 TDE= -4.399579 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036631 tlogG= -0.616598 logG= -0.653229 Density= 3.414830 ETOT(band)= -1.567398 trlgG= -2.228340 logG= -0.653229 TDE= -4.398634 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036679 tlogG= -0.618377 logG= -0.655056 Density= 3.414849 ETOT(band)= -1.568693 trlgG= -2.231410 logG= -0.655056 TDE= -4.399894 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 Sum of eigenvalues= -1024.18318057714 eV TrLogG= -1456.58535756067 eV Ratio to renormalize= 1.000356544997 rho-rho_expected=-0.058452538531 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 28) Finished k-point number 29 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 15) Finished k-point number 16 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.803675354498905 0.804310716962240 0.804007783629453 0.803265091233949 0.804824212743836 0.803970931866474 0.803968663998177 0.804181372231719 0.804114775976913 0.803890164156777 0.804364230020492 0.804010383951500 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.036707 tlogG= -0.615582 logG= -0.652289 Density= 3.415979 ETOT(band)= -1.565694 trlgG= -2.225694 logG= -0.652289 TDE= -4.397879 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.036650 tlogG= -0.625258 logG= -0.661908 Density= 3.414718 ETOT(band)= -1.573971 trlgG= -2.245117 logG= -0.661908 TDE= -4.406640 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.036617 tlogG= -0.619130 logG= -0.655747 Density= 3.414661 ETOT(band)= -1.569388 trlgG= -2.231434 logG= -0.655747 TDE= -4.399071 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037226 tlogG= -0.609311 logG= -0.646538 Density= 3.422792 ETOT(band)= -1.555364 trlgG= -2.213151 logG= -0.646538 TDE= -4.396719 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036595 tlogG= -0.623615 logG= -0.660210 Density= 3.414126 ETOT(band)= -1.573311 trlgG= -2.242282 logG= -0.660210 TDE= -4.405013 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036814 tlogG= -0.615061 logG= -0.651875 Density= 3.417085 ETOT(band)= -1.564366 trlgG= -2.225146 logG= -0.651875 TDE= -4.398658 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036466 tlogG= -0.624125 logG= -0.660591 Density= 3.413085 ETOT(band)= -1.574548 trlgG= -2.243109 logG= -0.660591 TDE= -4.404599 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036342 tlogG= -0.626426 logG= -0.662768 Density= 3.412028 ETOT(band)= -1.577043 trlgG= -2.246701 logG= -0.662768 TDE= -4.405140 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.036565 tlogG= -0.621223 logG= -0.657788 Density= 3.414109 ETOT(band)= -1.571454 trlgG= -2.236373 logG= -0.657788 TDE= -4.401513 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036487 tlogG= -0.619304 logG= -0.655791 Density= 3.413348 ETOT(band)= -1.570728 trlgG= -2.233061 logG= -0.655791 TDE= -4.399568 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036637 tlogG= -0.621445 logG= -0.658082 Density= 3.414508 ETOT(band)= -1.571325 trlgG= -2.237680 logG= -0.658082 TDE= -4.402855 logGD-logG0= -0.036946 tlogG= -0.612436 logG= -0.649382 Density= 3.419019 ETOT(band)= -1.560815 trlgG= -2.220202 logG= -0.649382 TDE= -4.397807 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037153 tlogG= -0.611670 logG= -0.648823 Density= 3.421510 ETOT(band)= -1.558146 trlgG= -2.217823 logG= -0.648823 TDE= -4.398047 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036594 tlogG= -0.619102 logG= -0.655695 Density= 3.414499 ETOT(band)= -1.569575 trlgG= -2.231859 logG= -0.655695 TDE= -4.399413 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036541 tlogG= -0.617053 logG= -0.653595 Density= 3.414037 ETOT(band)= -1.568478 trlgG= -2.228830 logG= -0.653595 TDE= -4.398103 logGD-logG0= -0.036536 tlogG= -0.621136 logG= -0.657672 Density= 3.413404 ETOT(band)= -1.572109 trlgG= -2.237612 logG= -0.657672 TDE= -4.402285 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036508 tlogG= -0.619270 logG= -0.655778 Density= 3.413019 ETOT(band)= -1.571038 trlgG= -2.233555 logG= -0.655778 TDE= -4.399803 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.036622 tlogG= -0.623515 logG= -0.660137 Density= 3.414559 ETOT(band)= -1.572807 trlgG= -2.241715 logG= -0.660137 TDE= -4.404878 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036805 tlogG= -0.613032 logG= -0.649837 Density= 3.417430 ETOT(band)= -1.562579 trlgG= -2.220988 logG= -0.649837 TDE= -4.396824 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036513 tlogG= -0.623998 logG= -0.660512 Density= 3.413646 ETOT(band)= -1.573929 trlgG= -2.242421 logG= -0.660512 TDE= -4.404453 logGD-logG0= -0.036493 tlogG= -0.625862 logG= -0.662355 Density= 3.413479 ETOT(band)= -1.575439 trlgG= -2.246208 logG= -0.662355 TDE= -4.406260 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.036532 tlogG= -0.621515 logG= -0.658047 Density= 3.413852 ETOT(band)= -1.571925 trlgG= -2.236160 logG= -0.658047 TDE= -4.400827 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.036413 tlogG= -0.624453 logG= -0.660866 Density= 3.412641 ETOT(band)= -1.575099 trlgG= -2.242550 logG= -0.660866 TDE= -4.403398 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.036678 tlogG= -0.618445 logG= -0.655123 Density= 3.414853 ETOT(band)= -1.568813 trlgG= -2.231598 logG= -0.655123 TDE= -4.400017 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.036660 tlogG= -0.618715 logG= -0.655375 Density= 3.415068 ETOT(band)= -1.568784 trlgG= -2.231464 logG= -0.655375 TDE= -4.399810 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036583 tlogG= -0.618896 logG= -0.655479 Density= 3.414162 ETOT(band)= -1.569745 trlgG= -2.232458 logG= -0.655479 TDE= -4.399949 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036389 tlogG= -0.619792 logG= -0.656181 Density= 3.412288 ETOT(band)= -1.572056 trlgG= -2.234375 logG= -0.656181 TDE= -4.399616 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.036601 tlogG= -0.620886 logG= -0.657488 Density= 3.414423 ETOT(band)= -1.570897 trlgG= -2.236222 logG= -0.657488 TDE= -4.401921 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037038 tlogG= -0.610037 logG= -0.647075 Density= 3.420525 ETOT(band)= -1.557756 trlgG= -2.214541 logG= -0.647075 TDE= -4.395698 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.036435 tlogG= -0.622361 logG= -0.658796 Density= 3.412791 ETOT(band)= -1.573447 trlgG= -2.238823 logG= -0.658796 TDE= -4.401865 logGD-logG0= -0.036446 tlogG= -0.619537 logG= -0.655983 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Density= 3.412692 ETOT(band)= -1.571521 trlgG= -2.233928 logG= -0.655983 TDE= -4.399701 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036637 tlogG= -0.619338 logG= -0.655975 Density= 3.414982 ETOT(band)= -1.569364 trlgG= -2.231224 logG= -0.655975 TDE= -4.398898 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.036604 tlogG= -0.618911 logG= -0.655515 Density= 3.414443 ETOT(band)= -1.569325 trlgG= -2.231563 logG= -0.655515 TDE= -4.399251 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036339 tlogG= -0.624595 logG= -0.660934 Density= 3.411892 ETOT(band)= -1.575870 trlgG= -2.243374 logG= -0.660934 TDE= -4.403534 logGD-logG0= -0.036817 tlogG= -0.615968 logG= -0.652785 Density= 3.417086 ETOT(band)= -1.564960 trlgG= -2.226364 logG= -0.652785 TDE= -4.398967 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036534 tlogG= -0.621912 logG= -0.658446 Density= 3.413683 ETOT(band)= -1.572364 trlgG= -2.238341 logG= -0.658446 TDE= -4.402470 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036769 tlogG= -0.616352 logG= -0.653121 logGD-logG0= -0.036443 tlogG= -0.621515 logG= -0.657959 Density= 3.416570 ETOT(band)= -1.565733 trlgG= -2.226831 logG= -0.653121 TDE= -4.398673 Density= 3.412729 ETOT(band)= -1.572957 trlgG= -2.238029 logG= -0.657959 TDE= -4.401856 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037020 tlogG= -0.612281 logG= -0.649301 Density= 3.420012 ETOT(band)= -1.559855 trlgG= -2.219268 logG= -0.649301 TDE= -4.397775 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037421 tlogG= -0.608511 logG= -0.645932 Density= 3.424894 ETOT(band)= -1.553037 trlgG= -2.210994 logG= -0.645932 TDE= -4.396907 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.037088 tlogG= -0.611811 logG= -0.648898 Density= 3.420442 ETOT(band)= -1.559157 trlgG= -2.218782 logG= -0.648898 TDE= -4.398047 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.036927 tlogG= -0.614535 logG= -0.651462 Density= 3.418126 ETOT(band)= -1.563095 trlgG= -2.224130 logG= -0.651462 TDE= -4.398917 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.036894 tlogG= -0.612875 logG= -0.649769 Density= 3.418502 ETOT(band)= -1.561568 trlgG= -2.220008 logG= -0.649769 TDE= -4.396799 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036725 tlogG= -0.618289 logG= -0.655013 Density= 3.415633 ETOT(band)= -1.567959 trlgG= -2.230784 logG= -0.655013 TDE= -4.399957 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.036727 tlogG= -0.616716 logG= -0.653443 Density= 3.416129 ETOT(band)= -1.566427 trlgG= -2.226852 logG= -0.653443 TDE= -4.398007 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036631 tlogG= -0.616665 logG= -0.653296 Density= 3.414834 ETOT(band)= -1.567517 trlgG= -2.228528 logG= -0.653296 TDE= -4.398759 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036356 tlogG= -0.621847 logG= -0.658204 Density= 3.411973 ETOT(band)= -1.573822 trlgG= -2.238299 logG= -0.658204 TDE= -4.401256 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.036720 tlogG= -0.616248 logG= -0.652968 Density= 3.415478 ETOT(band)= -1.566646 trlgG= -2.227935 logG= -0.652968 TDE= -4.399026 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 Sum of eigenvalues= -1024.26111275868 eV TrLogG= -1456.70995958529 eV Ratio to renormalize= 1.000355338622 rho-rho_expected=-0.058254833755 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 43) Finished k-point number 44 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 15) Finished k-point number 16 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 107 8) Finished k-point number 9 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.803729651457355 0.804327295725401 0.804017459122992 0.803319931434135 0.804839938676437 0.803980943654727 0.804022759528451 0.804198086026280 0.804124462901443 0.803944582072477 0.804380443246220 0.804020209508991 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.036822 tlogG= -0.615044 logG= -0.651867 Density= 3.417118 ETOT(band)= -1.564359 trlgG= -2.225129 logG= -0.651867 TDE= -4.398677 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036350 tlogG= -0.626408 logG= -0.662758 Density= 3.412066 ETOT(band)= -1.577031 trlgG= -2.246679 logG= -0.662758 TDE= -4.405158 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.036516 tlogG= -0.619253 logG= -0.655769 Density= 3.413054 ETOT(band)= -1.571028 trlgG= -2.233534 logG= -0.655769 TDE= -4.399821 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036421 tlogG= -0.624435 logG= -0.660856 Density= 3.412679 ETOT(band)= -1.575088 trlgG= -2.242528 logG= -0.660856 TDE= -4.403416 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036658 tlogG= -0.625240 logG= -0.661898 Density= 3.414750 ETOT(band)= -1.573963 trlgG= -2.245099 logG= -0.661898 TDE= -4.406658 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.036451 tlogG= -0.621498 logG= -0.657950 Density= 3.412764 ETOT(band)= -1.572946 trlgG= -2.238009 logG= -0.657950 TDE= -4.401875 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036602 tlogG= -0.619085 logG= -0.655687 Density= 3.414535 ETOT(band)= -1.569565 trlgG= -2.231839 logG= -0.655687 TDE= -4.399432 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036544 tlogG= -0.621118 logG= -0.657662 Density= 3.413439 ETOT(band)= -1.572100 trlgG= -2.237593 logG= -0.657662 TDE= -4.402303 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036603 tlogG= -0.623597 logG= -0.660200 Density= 3.414159 ETOT(band)= -1.573303 trlgG= -2.242263 logG= -0.660200 TDE= -4.405031 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036668 tlogG= -0.618698 logG= -0.655366 Density= 3.415103 ETOT(band)= -1.568776 trlgG= -2.231445 logG= -0.655366 TDE= -4.399828 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036645 tlogG= -0.621427 logG= -0.658073 Density= 3.414541 ETOT(band)= -1.571317 trlgG= -2.237661 logG= -0.658073 TDE= -4.402873 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.036397 tlogG= -0.619775 logG= -0.656172 Density= 3.412325 ETOT(band)= -1.572045 trlgG= -2.234350 logG= -0.656172 TDE= -4.399630 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.036540 tlogG= -0.621498 logG= -0.658039 Density= 3.413889 ETOT(band)= -1.571914 trlgG= -2.236136 logG= -0.658039 TDE= -4.400843 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036715 tlogG= -0.615565 logG= -0.652280 Density= 3.416014 ETOT(band)= -1.565685 trlgG= -2.225675 logG= -0.652280 TDE= -4.397897 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036813 tlogG= -0.613015 logG= -0.649828 Density= 3.417464 ETOT(band)= -1.562571 trlgG= -2.220971 logG= -0.649828 TDE= -4.396844 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036954 tlogG= -0.612419 logG= -0.649373 Density= 3.419050 ETOT(band)= -1.560809 trlgG= -2.220187 logG= -0.649373 TDE= -4.397826 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036591 tlogG= -0.618879 logG= -0.655470 Density= 3.414196 ETOT(band)= -1.569735 trlgG= -2.232437 logG= -0.655470 TDE= -4.399967 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036630 tlogG= -0.623497 logG= -0.660127 Density= 3.414591 ETOT(band)= -1.572799 trlgG= -2.241697 logG= -0.660127 TDE= -4.404896 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037160 tlogG= -0.611653 logG= -0.648814 Density= 3.421538 ETOT(band)= -1.558143 trlgG= -2.217810 logG= -0.648814 TDE= -4.398066 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036902 tlogG= -0.612859 logG= -0.649760 Density= 3.418535 ETOT(band)= -1.561561 trlgG= -2.219991 logG= -0.649760 TDE= -4.396818 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037234 tlogG= -0.609295 logG= -0.646529 Density= 3.422820 ETOT(band)= -1.555361 trlgG= -2.213138 logG= -0.646529 TDE= -4.396739 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.037028 tlogG= -0.612265 logG= -0.649293 Density= 3.420042 ETOT(band)= -1.559850 trlgG= -2.219254 logG= -0.649293 TDE= -4.397794 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036625 tlogG= -0.619113 logG= -0.655738 Density= 3.414697 ETOT(band)= -1.569378 trlgG= -2.231413 logG= -0.655738 TDE= -4.399088 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.036443 tlogG= -0.622343 logG= -0.658786 Density= 3.412828 ETOT(band)= -1.573436 trlgG= -2.238799 logG= -0.658786 TDE= -4.401881 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036542 tlogG= -0.621894 logG= -0.658437 Density= 3.413718 ETOT(band)= -1.572355 trlgG= -2.238321 logG= -0.658437 TDE= -4.402488 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036645 tlogG= -0.619322 logG= -0.655966 Density= 3.415019 ETOT(band)= -1.569353 trlgG= -2.231202 logG= -0.655966 TDE= -4.398915 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=121 logGD-logG0= -0.036733 tlogG= -0.618271 logG= -0.655004 logGD-logG0= -0.036549 tlogG= -0.617036 logG= -0.653586 Density= 3.414073 ETOT(band)= -1.568468 trlgG= -2.228809 logG= -0.653586 TDE= -4.398120 Density= 3.415665 ETOT(band)= -1.567952 trlgG= -2.230766 logG= -0.655004 TDE= -4.399976 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.036495 tlogG= -0.619287 logG= -0.655782 Density= 3.413385 ETOT(band)= -1.570718 trlgG= -2.233039 logG= -0.655782 TDE= -4.399585 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036454 tlogG= -0.619520 logG= -0.655974 Density= 3.412728 ETOT(band)= -1.571511 trlgG= -2.233906 logG= -0.655974 TDE= -4.399718 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036825 tlogG= -0.615951 logG= -0.652776 Density= 3.417118 ETOT(band)= -1.564954 trlgG= -2.226347 logG= -0.652776 TDE= -4.398986 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.036364 tlogG= -0.621830 logG= -0.658195 Density= 3.412010 ETOT(band)= -1.573810 trlgG= -2.238274 logG= -0.658195 TDE= -4.401272 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.036522 tlogG= -0.623981 logG= -0.660502 Density= 3.413681 ETOT(band)= -1.573919 trlgG= -2.242401 logG= -0.660502 TDE= -4.404472 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.037096 tlogG= -0.611794 logG= -0.648889 Density= 3.420471 ETOT(band)= -1.559153 trlgG= -2.218768 logG= -0.648889 TDE= -4.398066 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.037429 tlogG= -0.608494 logG= -0.645923 Density= 3.424920 ETOT(band)= -1.553036 trlgG= -2.210983 logG= -0.645923 TDE= -4.396926 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037046 tlogG= -0.610020 logG= -0.647066 Density= 3.420557 ETOT(band)= -1.557750 trlgG= -2.214525 logG= -0.647066 TDE= -4.395718 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.036347 tlogG= -0.624578 logG= -0.660924 Density= 3.411929 ETOT(band)= -1.575858 trlgG= -2.243351 logG= -0.660924 TDE= -4.403552 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.036573 tlogG= -0.621206 logG= -0.657779 Density= 3.414145 ETOT(band)= -1.571444 trlgG= -2.236354 logG= -0.657779 TDE= -4.401532 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.036501 tlogG= -0.625844 logG= -0.662345 Density= 3.413513 ETOT(band)= -1.575430 trlgG= -2.246188 logG= -0.662345 TDE= -4.406277 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.036609 tlogG= -0.620869 logG= -0.657478 Density= 3.414457 ETOT(band)= -1.570889 trlgG= -2.236204 logG= -0.657478 TDE= -4.401940 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036474 tlogG= -0.624107 logG= -0.660581 Density= 3.413120 ETOT(band)= -1.574538 trlgG= -2.243088 logG= -0.660581 TDE= -4.404617 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036728 tlogG= -0.616231 logG= -0.652959 Density= 3.415511 ETOT(band)= -1.566639 trlgG= -2.227917 logG= -0.652959 TDE= -4.399045 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036612 tlogG= -0.618894 logG= -0.655506 Density= 3.414477 ETOT(band)= -1.569316 trlgG= -2.231543 logG= -0.655506 TDE= -4.399269 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036639 tlogG= -0.616648 logG= -0.653287 Density= 3.414868 ETOT(band)= -1.567508 trlgG= -2.228510 logG= -0.653287 TDE= -4.398778 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036686 tlogG= -0.618428 logG= -0.655114 Density= 3.414886 ETOT(band)= -1.568805 trlgG= -2.231579 logG= -0.655114 TDE= -4.400036 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.036777 tlogG= -0.616335 logG= -0.653112 Density= 3.416604 ETOT(band)= -1.565726 trlgG= -2.226814 logG= -0.653112 TDE= -4.398692 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036735 tlogG= -0.616700 logG= -0.653434 Density= 3.416165 ETOT(band)= -1.566418 trlgG= -2.226832 logG= -0.653434 TDE= -4.398025 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.036935 tlogG= -0.614518 logG= -0.651453 Density= 3.418157 ETOT(band)= -1.563089 trlgG= -2.224114 logG= -0.651453 TDE= -4.398936 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 Sum of eigenvalues= -1024.25554845796 eV TrLogG= -1456.71588651837 eV Ratio to renormalize= 1.000345411513 rho-rho_expected=-0.056627928200 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 19) Finished k-point number 20 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.803522533094096 0.804222148813587 0.803966281131134 0.803111008011658 0.804737708746912 0.803928882502757 0.803816391623063 0.804092215527913 0.804073498181604 0.803737556458485 0.804276239599762 0.803968658479532 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.036425 tlogG= -0.619605 logG= -0.656029 Density= 3.412597 ETOT(band)= -1.571542 trlgG= -2.234002 logG= -0.656029 TDE= -4.399649 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036784 tlogG= -0.613098 logG= -0.649882 Density= 3.417332 ETOT(band)= -1.562600 trlgG= -2.221051 logG= -0.649882 TDE= -4.396762 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.036422 tlogG= -0.621584 logG= -0.658006 Density= 3.412634 ETOT(band)= -1.572978 trlgG= -2.238098 logG= -0.658006 TDE= -4.401799 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036514 tlogG= -0.621205 logG= -0.657719 Density= 3.413313 ETOT(band)= -1.572127 trlgG= -2.237678 logG= -0.657719 TDE= -4.402229 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036628 tlogG= -0.625329 logG= -0.661957 Density= 3.414633 ETOT(band)= -1.573985 trlgG= -2.245184 logG= -0.661957 TDE= -4.406587 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.036511 tlogG= -0.621582 logG= -0.658093 Density= 3.413752 ETOT(band)= -1.571948 trlgG= -2.236236 logG= -0.658093 TDE= -4.400775 logGD-logG0= -0.036520 tlogG= -0.617120 logG= -0.653640 Density= 3.413940 ETOT(band)= -1.568500 trlgG= -2.228899 logG= -0.653640 TDE= -4.398046 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036562 tlogG= -0.618964 logG= -0.655525 Density= 3.414068 ETOT(band)= -1.569764 trlgG= -2.232527 logG= -0.655525 TDE= -4.399895 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.036391 tlogG= -0.624522 logG= -0.660913 Density= 3.412541 ETOT(band)= -1.575125 trlgG= -2.242626 logG= -0.660913 TDE= -4.403343 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.036466 tlogG= -0.619372 logG= -0.655838 Density= 3.413250 ETOT(band)= -1.570751 trlgG= -2.233134 logG= -0.655838 TDE= -4.399514 logGD-logG0= -0.036320 tlogG= -0.626496 logG= -0.662817 Density= 3.411928 ETOT(band)= -1.577070 trlgG= -2.246778 logG= -0.662817 TDE= -4.405086 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.036572 tlogG= -0.619169 logG= -0.655741 Density= 3.414400 ETOT(band)= -1.569597 trlgG= -2.231929 logG= -0.655741 TDE= -4.399356 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036492 tlogG= -0.624068 logG= -0.660560 Density= 3.413552 ETOT(band)= -1.573949 trlgG= -2.242491 logG= -0.660560 TDE= -4.404398 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.036573 tlogG= -0.623685 logG= -0.660258 Density= 3.414039 ETOT(band)= -1.573326 trlgG= -2.242348 logG= -0.660258 TDE= -4.404959 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036924 tlogG= -0.612503 logG= -0.649427 Density= 3.418928 ETOT(band)= -1.560831 trlgG= -2.220260 logG= -0.649427 TDE= -4.397744 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.036471 tlogG= -0.625932 logG= -0.662404 Density= 3.413386 ETOT(band)= -1.575460 trlgG= -2.246280 logG= -0.662404 TDE= -4.406206 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.036616 tlogG= -0.621514 logG= -0.658130 Density= 3.414419 ETOT(band)= -1.571341 trlgG= -2.237746 logG= -0.658130 TDE= -4.402800 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.036638 tlogG= -0.618783 logG= -0.655421 Density= 3.414975 ETOT(band)= -1.568803 trlgG= -2.231530 logG= -0.655421 TDE= -4.399752 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036413 tlogG= -0.622429 logG= -0.658843 Density= 3.412692 ETOT(band)= -1.573472 trlgG= -2.238903 logG= -0.658843 TDE= -4.401816 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036796 tlogG= -0.616035 logG= -0.652830 Density= 3.416998 ETOT(band)= -1.564974 trlgG= -2.226422 logG= -0.652830 TDE= -4.398907 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037016 tlogG= -0.610103 logG= -0.647119 Density= 3.420428 ETOT(band)= -1.557776 trlgG= -2.214601 logG= -0.647119 TDE= -4.395634 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036368 tlogG= -0.619859 logG= -0.656227 Density= 3.412191 ETOT(band)= -1.572078 trlgG= -2.234458 logG= -0.656227 TDE= -4.399572 logGD-logG0= -0.036793 tlogG= -0.615128 logG= -0.651921 Density= 3.416993 ETOT(band)= -1.564383 trlgG= -2.225205 logG= -0.651921 TDE= -4.398596 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.036486 tlogG= -0.619338 logG= -0.655824 Density= 3.412925 ETOT(band)= -1.571057 trlgG= -2.233625 logG= -0.655824 TDE= -4.399748 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.036335 tlogG= -0.621916 logG= -0.658251 Density= 3.411875 ETOT(band)= -1.573845 trlgG= -2.238379 logG= -0.658251 TDE= -4.401208 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.036685 tlogG= -0.615649 logG= -0.652334 Density= 3.415880 ETOT(band)= -1.565716 trlgG= -2.225762 logG= -0.652334 TDE= -4.397819 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.036317 tlogG= -0.624665 logG= -0.660982 Density= 3.411792 ETOT(band)= -1.575895 trlgG= -2.243452 logG= -0.660982 TDE= -4.403482 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036905 tlogG= -0.614602 logG= -0.651508 Density= 3.418039 ETOT(band)= -1.563108 trlgG= -2.224187 logG= -0.651508 TDE= -4.398855 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.036444 tlogG= -0.624195 logG= -0.660639 Density= 3.412992 ETOT(band)= -1.574569 trlgG= -2.243179 logG= -0.660639 TDE= -4.404544 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036543 tlogG= -0.621291 logG= -0.657834 Density= 3.414014 ETOT(band)= -1.571474 trlgG= -2.236441 logG= -0.657834 TDE= -4.401456 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036609 tlogG= -0.616733 logG= -0.653342 Density= 3.414740 ETOT(band)= -1.567536 trlgG= -2.228591 logG= -0.653342 TDE= -4.398698 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036656 tlogG= -0.618513 logG= -0.655170 Density= 3.414763 ETOT(band)= -1.568829 trlgG= -2.231663 logG= -0.655170 TDE= -4.399962 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.036615 tlogG= -0.619404 logG= -0.656019 Density= 3.414883 ETOT(band)= -1.569385 trlgG= -2.231299 logG= -0.656019 TDE= -4.398847 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.036998 tlogG= -0.612348 logG= -0.649346 Density= 3.419922 ETOT(band)= -1.559869 trlgG= -2.219324 logG= -0.649346 TDE= -4.397712 logGD-logG0= -0.036703 tlogG= -0.618356 logG= -0.655060 Density= 3.415543 ETOT(band)= -1.567975 trlgG= -2.230845 logG= -0.655060 TDE= -4.399899 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.036872 tlogG= -0.612941 logG= -0.649813 Density= 3.418405 ETOT(band)= -1.561588 trlgG= -2.220069 logG= -0.649813 TDE= -4.396735 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037066 tlogG= -0.611878 logG= -0.648944 Density= 3.420356 ETOT(band)= -1.559169 trlgG= -2.218836 logG= -0.648944 TDE= -4.397985 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.037204 tlogG= -0.609378 logG= -0.646582 Density= 3.422704 ETOT(band)= -1.555376 trlgG= -2.213205 logG= -0.646582 TDE= -4.396656 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.036705 tlogG= -0.616782 logG= -0.653487 Density= 3.416032 ETOT(band)= -1.566448 trlgG= -2.226918 logG= -0.653487 TDE= -4.397948 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036699 tlogG= -0.616315 logG= -0.653014 Density= 3.415387 ETOT(band)= -1.566663 trlgG= -2.227995 logG= -0.653014 TDE= -4.398965 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036513 tlogG= -0.621981 logG= -0.658493 Density= 3.413590 ETOT(band)= -1.572384 trlgG= -2.238410 logG= -0.658493 TDE= -4.402414 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036582 tlogG= -0.618978 logG= -0.655560 Density= 3.414349 ETOT(band)= -1.569343 trlgG= -2.231631 logG= -0.655560 TDE= -4.399197 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036600 tlogG= -0.623585 logG= -0.660185 Density= 3.414471 ETOT(band)= -1.572822 trlgG= -2.241781 logG= -0.660185 TDE= -4.404823 logGD-logG0= -0.036748 tlogG= -0.616418 logG= -0.653166 Density= 3.416478 ETOT(band)= -1.565750 trlgG= -2.226892 logG= -0.653166 TDE= -4.398612 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.036580 tlogG= -0.620954 logG= -0.657534 Density= 3.414332 ETOT(band)= -1.570914 trlgG= -2.236289 logG= -0.657534 TDE= -4.401866 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036595 tlogG= -0.619196 logG= -0.655792 Density= 3.414564 ETOT(band)= -1.569408 trlgG= -2.231506 logG= -0.655792 TDE= -4.399018 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037399 tlogG= -0.608578 logG= -0.645977 Density= 3.424814 ETOT(band)= -1.553044 trlgG= -2.211044 logG= -0.645977 TDE= -4.396845 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.037131 tlogG= -0.611737 logG= -0.648868 Density= 3.421427 ETOT(band)= -1.558156 trlgG= -2.217875 logG= -0.648868 TDE= -4.397985 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 Sum of eigenvalues= -1024.27324534351 eV TrLogG= -1456.70312543786 eV Ratio to renormalize= 1.000382671190 rho-rho_expected=-0.062734068645 nargs= 1 argi=dmft2.def 15) Finished k-point number 16 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 41) Finished k-point number 42 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 36) Finished k-point number 37 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 24) Finished k-point number 25 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.803339664967790 0.804133894665981 0.803939194723160 0.802927633365060 0.804649431420349 0.803895656909892 0.803632038785665 0.804000645617015 0.804041990368102 0.803552383361130 0.804196199728430 0.803947353297535 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.036901 tlogG= -0.612632 logG= -0.649533 Density= 3.418844 ETOT(band)= -1.560967 trlgG= -2.220503 logG= -0.649533 TDE= -4.397813 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036296 tlogG= -0.626630 logG= -0.662926 Density= 3.411825 ETOT(band)= -1.577226 trlgG= -2.247047 logG= -0.662926 TDE= -4.405159 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.037181 tlogG= -0.609507 logG= -0.646688 Density= 3.422628 ETOT(band)= -1.555505 trlgG= -2.213441 logG= -0.646688 TDE= -4.396725 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.036491 tlogG= -0.621336 logG= -0.657827 Density= 3.413221 ETOT(band)= -1.572272 trlgG= -2.237934 logG= -0.657827 TDE= -4.402300 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036448 tlogG= -0.626066 logG= -0.662514 Density= 3.413294 ETOT(band)= -1.575607 trlgG= -2.246540 logG= -0.662514 TDE= -4.406279 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.036442 tlogG= -0.619502 logG= -0.655944 Density= 3.413150 ETOT(band)= -1.570902 trlgG= -2.233398 logG= -0.655944 TDE= -4.399588 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036550 tlogG= -0.623818 logG= -0.660368 Density= 3.413952 ETOT(band)= -1.573468 trlgG= -2.242603 logG= -0.660368 TDE= -4.405032 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036549 tlogG= -0.619299 logG= -0.655847 Density= 3.414300 ETOT(band)= -1.569747 trlgG= -2.232188 logG= -0.655847 TDE= -4.399426 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036496 tlogG= -0.617250 logG= -0.653746 Density= 3.413841 ETOT(band)= -1.568648 trlgG= -2.229160 logG= -0.653746 TDE= -4.398119 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036344 tlogG= -0.619989 logG= -0.656333 Density= 3.412090 ETOT(band)= -1.572229 trlgG= -2.234730 logG= -0.656333 TDE= -4.399655 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.036724 tlogG= -0.616547 logG= -0.653271 Density= 3.416388 ETOT(band)= -1.565890 trlgG= -2.227142 logG= -0.653271 TDE= -4.398683 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036662 tlogG= -0.615778 logG= -0.652440 Density= 3.415784 ETOT(band)= -1.565862 trlgG= -2.226019 logG= -0.652440 TDE= -4.397891 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036468 tlogG= -0.624200 logG= -0.660668 Density= 3.413458 ETOT(band)= -1.574097 trlgG= -2.242750 logG= -0.660668 TDE= -4.404471 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.036605 tlogG= -0.625463 logG= -0.662068 Density= 3.414550 ETOT(band)= -1.574125 trlgG= -2.245437 logG= -0.662068 TDE= -4.406661 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.036760 tlogG= -0.613227 logG= -0.649987 Density= 3.417239 ETOT(band)= -1.562744 trlgG= -2.221302 logG= -0.649987 TDE= -4.396830 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036390 tlogG= -0.622561 logG= -0.658950 Density= 3.412590 ETOT(band)= -1.573624 trlgG= -2.239173 logG= -0.658950 TDE= -4.401894 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036769 tlogG= -0.615258 logG= -0.652027 Density= 3.416905 ETOT(band)= -1.564523 trlgG= -2.225453 logG= -0.652027 TDE= -4.398665 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036592 tlogG= -0.621646 logG= -0.658238 Density= 3.414332 ETOT(band)= -1.571483 trlgG= -2.237999 logG= -0.658238 TDE= -4.402872 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.036398 tlogG= -0.621715 logG= -0.658114 Density= 3.412537 ETOT(band)= -1.573127 trlgG= -2.238357 logG= -0.658114 TDE= -4.401871 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036420 tlogG= -0.624327 logG= -0.660748 Density= 3.412897 ETOT(band)= -1.574717 trlgG= -2.243439 logG= -0.660748 TDE= -4.404617 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036975 tlogG= -0.612477 logG= -0.649452 Density= 3.419842 ETOT(band)= -1.560002 trlgG= -2.219565 logG= -0.649452 TDE= -4.397781 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036586 tlogG= -0.616862 logG= -0.653448 Density= 3.414648 ETOT(band)= -1.567679 trlgG= -2.228844 logG= -0.653448 TDE= -4.398769 logGD-logG0= -0.036538 tlogG= -0.619095 logG= -0.655633 Density= 3.413975 ETOT(band)= -1.569910 trlgG= -2.232786 logG= -0.655633 TDE= -4.399969 logGD-logG0= -0.037043 tlogG= -0.612007 logG= -0.649050 Density= 3.420279 ETOT(band)= -1.559299 trlgG= -2.219075 logG= -0.649050 TDE= -4.398054 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.036489 tlogG= -0.621713 logG= -0.658202 Density= 3.413649 ETOT(band)= -1.572100 trlgG= -2.236505 logG= -0.658202 TDE= -4.400850 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.036293 tlogG= -0.624797 logG= -0.661090 Density= 3.411690 ETOT(band)= -1.576050 trlgG= -2.243721 logG= -0.661090 TDE= -4.403557 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036993 tlogG= -0.610232 logG= -0.647224 Density= 3.420340 ETOT(band)= -1.557914 trlgG= -2.214846 logG= -0.647224 TDE= -4.395701 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036773 tlogG= -0.616164 logG= -0.652937 Density= 3.416915 ETOT(band)= -1.565109 trlgG= -2.226667 logG= -0.652937 TDE= -4.398978 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036682 tlogG= -0.616911 logG= -0.653592 Density= 3.415934 ETOT(band)= -1.566593 trlgG= -2.227174 logG= -0.653592 TDE= -4.398018 logGD-logG0= -0.037376 tlogG= -0.608707 logG= -0.646083 Density= 3.424747 ETOT(band)= -1.553167 trlgG= -2.211274 logG= -0.646083 TDE= -4.396914 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036520 tlogG= -0.621421 logG= -0.657941 Density= 3.413918 ETOT(band)= -1.571621 trlgG= -2.236698 logG= -0.657941 TDE= -4.401526 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.036615 tlogG= -0.618913 logG= -0.655528 Density= 3.414882 ETOT(band)= -1.568947 trlgG= -2.231785 logG= -0.655528 TDE= -4.399823 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036557 tlogG= -0.621085 logG= -0.657642 Density= 3.414241 ETOT(band)= -1.571057 trlgG= -2.236543 logG= -0.657642 TDE= -4.401938 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.036633 tlogG= -0.618644 logG= -0.655277 Density= 3.414675 ETOT(band)= -1.568971 trlgG= -2.231917 logG= -0.655277 TDE= -4.400035 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.036368 tlogG= -0.624654 logG= -0.661021 Density= 3.412438 ETOT(band)= -1.575279 trlgG= -2.242892 logG= -0.661021 TDE= -4.403416 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.036489 tlogG= -0.622112 logG= -0.658601 Density= 3.413495 ETOT(band)= -1.572531 trlgG= -2.238668 logG= -0.658601 TDE= -4.402486 logGD-logG0= -0.036463 tlogG= -0.619469 logG= -0.655932 Density= 3.412830 ETOT(band)= -1.571204 trlgG= -2.233884 logG= -0.655932 TDE= -4.399822 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036577 tlogG= -0.623717 logG= -0.660294 Density= 3.414385 ETOT(band)= -1.572963 trlgG= -2.242035 logG= -0.660294 TDE= -4.404897 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036882 tlogG= -0.614732 logG= -0.651615 Density= 3.417958 ETOT(band)= -1.563242 trlgG= -2.224430 logG= -0.651615 TDE= -4.398925 logGD-logG0= -0.036401 tlogG= -0.619735 logG= -0.656136 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 Density= 3.412499 ETOT(band)= -1.571691 trlgG= -2.234265 logG= -0.656136 TDE= -4.399724 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.036311 tlogG= -0.622046 logG= -0.658358 Density= 3.411773 ETOT(band)= -1.573998 trlgG= -2.238650 logG= -0.658358 TDE= -4.401288 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.036848 tlogG= -0.613070 logG= -0.649918 Density= 3.418313 ETOT(band)= -1.561729 trlgG= -2.220318 logG= -0.649918 TDE= -4.396803 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036592 tlogG= -0.619533 logG= -0.656124 Density= 3.414781 ETOT(band)= -1.569534 trlgG= -2.231563 logG= -0.656124 TDE= -4.398922 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.036675 tlogG= -0.616446 logG= -0.653121 Density= 3.415299 ETOT(band)= -1.566803 trlgG= -2.228245 logG= -0.653121 TDE= -4.399036 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036680 tlogG= -0.618487 logG= -0.655167 Density= 3.415457 ETOT(band)= -1.568114 trlgG= -2.231095 logG= -0.655167 TDE= -4.399970 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.036572 tlogG= -0.619325 logG= -0.655897 Density= 3.414467 ETOT(band)= -1.569554 trlgG= -2.231767 logG= -0.655897 TDE= -4.399093 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.036559 tlogG= -0.619107 logG= -0.655667 Density= 3.414256 ETOT(band)= -1.569487 trlgG= -2.231889 logG= -0.655667 TDE= -4.399271 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037108 tlogG= -0.611866 logG= -0.648974 Density= 3.421355 ETOT(band)= -1.558282 trlgG= -2.218110 logG= -0.648974 TDE= -4.398054 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 Sum of eigenvalues= -1024.36700912009 eV TrLogG= -1456.82020899577 eV Ratio to renormalize= 1.000409519990 rho-rho_expected=-0.067133785782 nargs= 1 argi=dmft2.def 26) Finished k-point number 27 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 29) Finished k-point number 30 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 7) Finished k-point number 8 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 43) Finished k-point number 44 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.803279200133427 0.804104020456814 0.803930698702883 0.802866459312066 0.804621024309260 0.803886524306774 0.803571370688446 0.803971117120325 0.804033442421746 0.803491546595122 0.804167372949320 0.803938419063736 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.036597 tlogG= -0.625511 logG= -0.662109 Density= 3.414525 ETOT(band)= -1.574179 trlgG= -2.245533 logG= -0.662109 TDE= -4.406696 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.036360 tlogG= -0.624701 logG= -0.661062 Density= 3.412407 ETOT(band)= -1.575337 trlgG= -2.242992 logG= -0.661062 TDE= -4.403450 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.036543 tlogG= -0.623866 logG= -0.660408 Density= 3.413926 ETOT(band)= -1.573523 trlgG= -2.242699 logG= -0.660408 TDE= -4.405067 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036482 tlogG= -0.621760 logG= -0.658241 Density= 3.413618 ETOT(band)= -1.572157 trlgG= -2.236605 logG= -0.658241 TDE= -4.400885 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.036654 tlogG= -0.615825 logG= -0.652480 Density= 3.415755 ETOT(band)= -1.565918 trlgG= -2.226116 logG= -0.652480 TDE= -4.397925 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036762 tlogG= -0.615305 logG= -0.652067 Density= 3.416880 ETOT(band)= -1.564576 trlgG= -2.225548 logG= -0.652067 TDE= -4.398699 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036289 tlogG= -0.626677 logG= -0.662967 Density= 3.411794 ETOT(band)= -1.577285 trlgG= -2.247147 logG= -0.662967 TDE= -4.405193 logGD-logG0= -0.036383 tlogG= -0.622608 logG= -0.658991 Density= 3.412559 ETOT(band)= -1.573682 trlgG= -2.239274 logG= -0.658991 TDE= -4.401929 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036461 tlogG= -0.624247 logG= -0.660709 Density= 3.413430 ETOT(band)= -1.574153 trlgG= -2.242848 logG= -0.660709 TDE= -4.404505 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.036435 tlogG= -0.619550 logG= -0.655984 Density= 3.413120 ETOT(band)= -1.570959 trlgG= -2.233498 logG= -0.655984 TDE= -4.399623 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036968 tlogG= -0.612524 logG= -0.649492 Density= 3.419819 ETOT(band)= -1.560053 trlgG= -2.219657 logG= -0.649492 TDE= -4.397814 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.036513 tlogG= -0.621468 logG= -0.657981 Density= 3.413889 ETOT(band)= -1.571677 trlgG= -2.236795 logG= -0.657981 TDE= -4.401560 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.036894 tlogG= -0.612680 logG= -0.649573 Density= 3.418821 ETOT(band)= -1.561019 trlgG= -2.220596 logG= -0.649573 TDE= -4.397846 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036337 tlogG= -0.620036 logG= -0.656373 Density= 3.412060 ETOT(band)= -1.572287 trlgG= -2.234833 logG= -0.656373 TDE= -4.399693 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.036484 tlogG= -0.621384 logG= -0.657868 Density= 3.413194 ETOT(band)= -1.572327 trlgG= -2.238031 logG= -0.657868 TDE= -4.402334 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036585 tlogG= -0.619579 logG= -0.656164 Density= 3.414751 ETOT(band)= -1.569591 trlgG= -2.231662 logG= -0.656164 TDE= -4.398957 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.036542 tlogG= -0.619345 logG= -0.655887 Density= 3.414270 ETOT(band)= -1.569804 trlgG= -2.232286 logG= -0.655887 TDE= -4.399460 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036674 tlogG= -0.616957 logG= -0.653632 Density= 3.415906 ETOT(band)= -1.566649 trlgG= -2.227272 logG= -0.653632 TDE= -4.398052 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036489 tlogG= -0.617297 logG= -0.653786 Density= 3.413812 ETOT(band)= -1.568705 trlgG= -2.229258 logG= -0.653786 TDE= -4.398154 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036286 tlogG= -0.624845 logG= -0.661131 Density= 3.411659 ETOT(band)= -1.576109 trlgG= -2.243822 logG= -0.661131 TDE= -4.403592 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036753 tlogG= -0.613274 logG= -0.650027 Density= 3.417212 ETOT(band)= -1.562798 trlgG= -2.221398 logG= -0.650027 TDE= -4.396864 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036456 tlogG= -0.619516 logG= -0.655972 Density= 3.412801 ETOT(band)= -1.571261 trlgG= -2.233982 logG= -0.655972 TDE= -4.399856 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036626 tlogG= -0.618692 logG= -0.655318 Density= 3.414649 ETOT(band)= -1.569025 trlgG= -2.232014 logG= -0.655318 TDE= -4.400070 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.036482 tlogG= -0.622160 logG= -0.658642 Density= 3.413467 ETOT(band)= -1.572587 trlgG= -2.238765 logG= -0.658642 TDE= -4.402520 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037174 tlogG= -0.609554 logG= -0.646728 Density= 3.422608 ETOT(band)= -1.555555 trlgG= -2.213532 logG= -0.646728 TDE= -4.396758 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036565 tlogG= -0.619372 logG= -0.655937 Density= 3.414438 ETOT(band)= -1.569610 trlgG= -2.231865 logG= -0.655937 TDE= -4.399127 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037370 tlogG= -0.608754 logG= -0.646123 Density= 3.424729 ETOT(band)= -1.553215 trlgG= -2.211363 logG= -0.646123 TDE= -4.396948 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.036875 tlogG= -0.614780 logG= -0.651655 Density= 3.417935 ETOT(band)= -1.563294 trlgG= -2.224523 logG= -0.651655 TDE= -4.398959 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.036608 tlogG= -0.618960 logG= -0.655568 Density= 3.414855 ETOT(band)= -1.569002 trlgG= -2.231882 logG= -0.655568 TDE= -4.399857 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036440 tlogG= -0.626114 logG= -0.662554 Density= 3.413266 ETOT(band)= -1.575663 trlgG= -2.246638 logG= -0.662554 TDE= -4.406314 logGD-logG0= -0.036717 tlogG= -0.616594 logG= -0.653311 Density= 3.416362 ETOT(band)= -1.565944 trlgG= -2.227238 logG= -0.653311 TDE= -4.398717 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.036394 tlogG= -0.619782 logG= -0.656176 Density= 3.412469 ETOT(band)= -1.571748 trlgG= -2.234364 logG= -0.656176 TDE= -4.399759 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036585 tlogG= -0.621694 logG= -0.658279 Density= 3.414306 ETOT(band)= -1.571537 trlgG= -2.238095 logG= -0.658279 TDE= -4.402907 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.036841 tlogG= -0.613117 logG= -0.649958 Density= 3.418286 ETOT(band)= -1.561783 trlgG= -2.220414 logG= -0.649958 TDE= -4.396837 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037036 tlogG= -0.612055 logG= -0.649090 Density= 3.420258 ETOT(band)= -1.559350 trlgG= -2.219167 logG= -0.649090 TDE= -4.398088 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.036673 tlogG= -0.618534 logG= -0.655207 Density= 3.415432 ETOT(band)= -1.568168 trlgG= -2.231191 logG= -0.655207 TDE= -4.400004 logGD-logG0= -0.036766 tlogG= -0.616211 logG= -0.652977 Density= 3.416891 ETOT(band)= -1.565161 trlgG= -2.226761 logG= -0.652977 TDE= -4.399012 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036304 tlogG= -0.622094 logG= -0.658398 Density= 3.411743 ETOT(band)= -1.574056 trlgG= -2.238751 logG= -0.658398 TDE= -4.401324 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.036391 tlogG= -0.621763 logG= -0.658154 Density= 3.412508 ETOT(band)= -1.573183 trlgG= -2.238455 logG= -0.658154 TDE= -4.401905 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036413 tlogG= -0.624375 logG= -0.660788 Density= 3.412869 ETOT(band)= -1.574773 trlgG= -2.243537 logG= -0.660788 TDE= -4.404651 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036668 tlogG= -0.616493 logG= -0.653161 Density= 3.415274 ETOT(band)= -1.566858 trlgG= -2.228341 logG= -0.653161 TDE= -4.399070 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036578 tlogG= -0.616910 logG= -0.653488 Density= 3.414621 ETOT(band)= -1.567735 trlgG= -2.228940 logG= -0.653488 TDE= -4.398803 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036570 tlogG= -0.623765 logG= -0.660335 Density= 3.414360 ETOT(band)= -1.573017 trlgG= -2.242131 logG= -0.660335 TDE= -4.404931 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037101 tlogG= -0.611913 logG= -0.649014 Density= 3.421335 ETOT(band)= -1.558331 trlgG= -2.218200 logG= -0.649014 TDE= -4.398088 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036531 tlogG= -0.619142 logG= -0.655673 Density= 3.413947 ETOT(band)= -1.569965 trlgG= -2.232884 logG= -0.655673 TDE= -4.400004 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.036552 tlogG= -0.619154 logG= -0.655706 Density= 3.414229 ETOT(band)= -1.569542 trlgG= -2.231986 logG= -0.655706 TDE= -4.399306 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036986 tlogG= -0.610278 logG= -0.647264 Density= 3.420314 ETOT(band)= -1.557968 trlgG= -2.214940 logG= -0.647264 TDE= -4.395734 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036549 tlogG= -0.621132 logG= -0.657682 Density= 3.414215 ETOT(band)= -1.571111 trlgG= -2.236639 logG= -0.657682 TDE= -4.401972 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 Sum of eigenvalues= -1024.40286951289 eV TrLogG= -1456.86888263783 eV Ratio to renormalize= 1.000417394621 rho-rho_expected=-0.068424157930 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 36) Finished k-point number 37 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.802647554267764 0.803794499795656 0.803791891630238 0.802227635742274 0.804321098030540 0.803745482705736 0.802941354885604 0.803662347289090 0.803893871858414 0.802857547585801 0.803863802402606 0.803797434330994 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.036272 tlogG= -0.624987 logG= -0.661260 Density= 3.412015 ETOT(band)= -1.575596 trlgG= -2.243463 logG= -0.661260 TDE= -4.403399 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036394 tlogG= -0.622039 logG= -0.658433 Density= 3.413228 ETOT(band)= -1.572407 trlgG= -2.237079 logG= -0.658433 TDE= -4.400845 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.036401 tlogG= -0.617575 logG= -0.653977 Density= 3.413432 ETOT(band)= -1.568948 trlgG= -2.229710 logG= -0.653977 TDE= -4.398100 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036295 tlogG= -0.622892 logG= -0.659187 Density= 3.412170 ETOT(band)= -1.573937 trlgG= -2.239759 logG= -0.659187 TDE= -4.401896 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.036443 tlogG= -0.619424 logG= -0.655868 Density= 3.413582 ETOT(band)= -1.570198 trlgG= -2.233331 logG= -0.655868 TDE= -4.399955 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.036509 tlogG= -0.625804 logG= -0.662313 Density= 3.414200 ETOT(band)= -1.574388 trlgG= -2.245957 logG= -0.662313 TDE= -4.406646 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.036520 tlogG= -0.619240 logG= -0.655761 Density= 3.414493 ETOT(band)= -1.569229 trlgG= -2.232314 logG= -0.655761 TDE= -4.399797 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036497 tlogG= -0.619854 logG= -0.656351 Density= 3.414362 ETOT(band)= -1.569834 trlgG= -2.232133 logG= -0.656351 TDE= -4.398919 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.036454 tlogG= -0.619625 logG= -0.656079 Density= 3.413886 ETOT(band)= -1.570048 trlgG= -2.232735 logG= -0.656079 TDE= -4.399399 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036201 tlogG= -0.626968 logG= -0.663169 Density= 3.411401 ETOT(band)= -1.577549 trlgG= -2.247622 logG= -0.663169 TDE= -4.405141 logGD-logG0= -0.036567 tlogG= -0.616103 logG= -0.652670 Density= 3.415380 ETOT(band)= -1.566154 trlgG= -2.226555 logG= -0.652670 TDE= -4.397863 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.036462 tlogG= -0.621414 logG= -0.657877 Density= 3.413862 ETOT(band)= -1.571333 trlgG= -2.237069 logG= -0.657877 TDE= -4.401915 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.036539 tlogG= -0.618976 logG= -0.655514 Density= 3.414302 ETOT(band)= -1.569244 trlgG= -2.232445 logG= -0.655514 TDE= -4.400017 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.037015 tlogG= -0.612191 logG= -0.649206 Density= 3.421035 ETOT(band)= -1.558506 trlgG= -2.218565 logG= -0.649206 TDE= -4.398013 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036948 tlogG= -0.612334 logG= -0.649283 Density= 3.419943 ETOT(band)= -1.559538 trlgG= -2.219544 logG= -0.649283 TDE= -4.398012 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.036665 tlogG= -0.613551 logG= -0.650216 Density= 3.416844 ETOT(band)= -1.563027 trlgG= -2.221816 logG= -0.650216 TDE= -4.396788 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.036881 tlogG= -0.612800 logG= -0.649681 Density= 3.419491 ETOT(band)= -1.560248 trlgG= -2.220040 logG= -0.649681 TDE= -4.397736 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036347 tlogG= -0.619831 logG= -0.656178 Density= 3.412735 ETOT(band)= -1.571208 trlgG= -2.233963 logG= -0.656178 TDE= -4.399576 logGD-logG0= -0.036368 tlogG= -0.619799 logG= -0.656167 Density= 3.412431 ETOT(band)= -1.571498 trlgG= -2.234435 logG= -0.656167 TDE= -4.399808 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036303 tlogG= -0.622047 logG= -0.658350 Density= 3.412135 ETOT(band)= -1.573425 trlgG= -2.238901 logG= -0.658350 TDE= -4.401845 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036586 tlogG= -0.618816 logG= -0.655402 Density= 3.415090 ETOT(band)= -1.568380 trlgG= -2.231606 logG= -0.655402 TDE= -4.399943 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.036675 tlogG= -0.615585 logG= -0.652259 Density= 3.416532 ETOT(band)= -1.564791 trlgG= -2.225953 logG= -0.652259 TDE= -4.398624 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036806 tlogG= -0.612958 logG= -0.649764 Density= 3.418483 ETOT(band)= -1.561224 trlgG= -2.220988 logG= -0.649764 TDE= -4.397768 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036396 tlogG= -0.621669 logG= -0.658065 Density= 3.412837 ETOT(band)= -1.572557 trlgG= -2.238465 logG= -0.658065 TDE= -4.402275 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036394 tlogG= -0.622445 logG= -0.658839 Density= 3.413102 ETOT(band)= -1.572822 trlgG= -2.239207 logG= -0.658839 TDE= -4.402462 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036753 tlogG= -0.613392 logG= -0.650146 Density= 3.417925 ETOT(band)= -1.562004 trlgG= -2.220822 logG= -0.650146 TDE= -4.396759 logGD-logG0= -0.036352 tlogG= -0.626405 logG= -0.662758 Density= 3.412909 ETOT(band)= -1.575897 trlgG= -2.247086 logG= -0.662758 TDE= -4.406263 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.036466 tlogG= -0.619432 logG= -0.655898 Density= 3.413865 ETOT(band)= -1.569768 trlgG= -2.232430 logG= -0.655898 TDE= -4.399258 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.036580 tlogG= -0.616775 logG= -0.653355 Density= 3.414925 ETOT(band)= -1.567076 trlgG= -2.228754 logG= -0.653355 TDE= -4.399000 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036897 tlogG= -0.610554 logG= -0.647452 Density= 3.419962 ETOT(band)= -1.558181 trlgG= -2.215337 logG= -0.647452 TDE= -4.395652 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.036788 tlogG= -0.615060 logG= -0.651848 Density= 3.417608 ETOT(band)= -1.563494 trlgG= -2.224914 logG= -0.651848 TDE= -4.398886 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.036497 tlogG= -0.621980 logG= -0.658478 Density= 3.413964 ETOT(band)= -1.571755 trlgG= -2.238522 logG= -0.658478 TDE= -4.402851 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.036250 tlogG= -0.620315 logG= -0.656565 Density= 3.411674 ETOT(band)= -1.572537 trlgG= -2.235332 logG= -0.656565 TDE= -4.399681 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.036455 tlogG= -0.624155 logG= -0.660610 Density= 3.413588 ETOT(band)= -1.573740 trlgG= -2.243127 logG= -0.660610 TDE= -4.405014 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.036426 tlogG= -0.621749 logG= -0.658174 Density= 3.413518 ETOT(band)= -1.571912 trlgG= -2.237234 logG= -0.658174 TDE= -4.401498 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036478 tlogG= -0.619648 logG= -0.656126 Density= 3.414063 ETOT(band)= -1.569844 trlgG= -2.232319 logG= -0.656126 TDE= -4.399082 logGD-logG0= -0.036198 tlogG= -0.625132 logG= -0.661330 Density= 3.411267 ETOT(band)= -1.576369 trlgG= -2.244304 logG= -0.661330 TDE= -4.403551 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036491 tlogG= -0.617189 logG= -0.653680 Density= 3.414258 ETOT(band)= -1.567963 trlgG= -2.229362 logG= -0.653680 TDE= -4.398733 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.036373 tlogG= -0.624534 logG= -0.660908 Density= 3.413066 ETOT(band)= -1.574388 trlgG= -2.243292 logG= -0.660908 TDE= -4.404449 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.036587 tlogG= -0.617232 logG= -0.653819 Density= 3.415529 ETOT(band)= -1.566882 trlgG= -2.227707 logG= -0.653819 TDE= -4.397990 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037087 tlogG= -0.609831 logG= -0.646917 Density= 3.422295 ETOT(band)= -1.555738 trlgG= -2.213901 logG= -0.646917 TDE= -4.396679 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.036306 tlogG= -0.620063 logG= -0.656369 Density= 3.412092 ETOT(band)= -1.571991 trlgG= -2.234828 logG= -0.656369 TDE= -4.399718 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.036325 tlogG= -0.624663 logG= -0.660988 Density= 3.412505 ETOT(band)= -1.575012 trlgG= -2.243985 logG= -0.660988 TDE= -4.404597 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037283 tlogG= -0.609032 logG= -0.646315 Density= 3.424446 ETOT(band)= -1.553376 trlgG= -2.211713 logG= -0.646315 TDE= -4.396872 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.036630 tlogG= -0.616870 logG= -0.653500 Density= 3.416008 ETOT(band)= -1.566160 trlgG= -2.227651 logG= -0.653500 TDE= -4.398648 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.036482 tlogG= -0.624053 logG= -0.660535 Density= 3.414024 ETOT(band)= -1.573230 trlgG= -2.242557 logG= -0.660535 TDE= -4.404878 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.036217 tlogG= -0.622376 logG= -0.658593 Density= 3.411354 ETOT(band)= -1.574311 trlgG= -2.239242 logG= -0.658593 TDE= -4.401299 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.036679 tlogG= -0.616489 logG= -0.653168 Density= 3.416557 ETOT(band)= -1.565363 trlgG= -2.227160 logG= -0.653168 TDE= -4.398944 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1024.55049242397 eV TrLogG= -1456.95781931517 eV Ratio to renormalize= 1.000522411334 rho-rho_expected=-0.085630724316 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 23) Finished k-point number 24 1 with #bands= 107 43) Finished k-point number 44 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 10) Finished k-point number 11 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.802654383931403 0.803803370861232 0.803795466618480 0.802234561340144 0.804329596083353 0.803749093045405 0.802948162678016 0.803671106002434 0.803897412010772 0.802864565285495 0.803872347287744 0.803800963413677 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.037739 tlogG= -0.619147 logG= -0.656887 Density= 3.416975 ETOT(band)= -1.566854 trlgG= -2.231249 logG= -0.656887 TDE= -4.399660 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.037735 tlogG= -0.618882 logG= -0.656617 Density= 3.416539 ETOT(band)= -1.567040 trlgG= -2.231561 logG= -0.656617 TDE= -4.399880 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.037871 tlogG= -0.615493 logG= -0.653364 Density= 3.418098 ETOT(band)= -1.563136 trlgG= -2.225622 logG= -0.653364 TDE= -4.398483 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037676 tlogG= -0.625708 logG= -0.663384 Density= 3.415926 ETOT(band)= -1.572547 trlgG= -2.245464 logG= -0.663384 TDE= -4.406509 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.037656 tlogG= -0.621655 logG= -0.659311 Density= 3.416367 ETOT(band)= -1.569251 trlgG= -2.235879 logG= -0.659311 TDE= -4.401361 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037531 tlogG= -0.622797 logG= -0.660328 Density= 3.415373 ETOT(band)= -1.570993 trlgG= -2.238117 logG= -0.660328 TDE= -4.401762 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037687 tlogG= -0.621886 logG= -0.659573 Density= 3.416158 ETOT(band)= -1.569571 trlgG= -2.237667 logG= -0.659573 TDE= -4.402714 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.037591 tlogG= -0.619704 logG= -0.657295 Density= 3.415401 ETOT(band)= -1.568730 trlgG= -2.232972 logG= -0.657295 TDE= -4.399672 logGD-logG0= -0.037826 tlogG= -0.617140 logG= -0.654966 Density= 3.418077 ETOT(band)= -1.564484 trlgG= -2.226610 logG= -0.654966 TDE= -4.397852 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037961 tlogG= -0.614968 logG= -0.652930 Density= 3.418663 ETOT(band)= -1.562222 trlgG= -2.224983 logG= -0.652930 TDE= -4.398746 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037637 tlogG= -0.624060 logG= -0.661697 Density= 3.415640 ETOT(band)= -1.571659 trlgG= -2.242381 logG= -0.661697 TDE= -4.404877 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037541 tlogG= -0.619968 logG= -0.657509 Density= 3.415378 ETOT(band)= -1.568977 trlgG= -2.233116 logG= -0.657509 TDE= -4.399583 logGD-logG0= -0.037865 tlogG= -0.613460 logG= -0.651325 Density= 3.418290 ETOT(band)= -1.561474 trlgG= -2.221589 logG= -0.651325 TDE= -4.396648 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037427 tlogG= -0.626872 logG= -0.664299 Density= 3.414462 ETOT(band)= -1.574709 trlgG= -2.246085 logG= -0.664299 TDE= -4.405005 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.037644 tlogG= -0.621945 logG= -0.659589 Density= 3.416476 ETOT(band)= -1.569446 trlgG= -2.235415 logG= -0.659589 TDE= -4.400711 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.037583 tlogG= -0.624439 logG= -0.662023 Density= 3.415577 ETOT(band)= -1.571972 trlgG= -2.242195 logG= -0.662023 TDE= -4.404313 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.037850 tlogG= -0.616778 logG= -0.654628 Density= 3.418105 ETOT(band)= -1.564102 trlgG= -2.226905 logG= -0.654628 TDE= -4.398508 logGD-logG0= -0.037583 tlogG= -0.619737 logG= -0.657319 Density= 3.415867 ETOT(band)= -1.568323 trlgG= -2.232380 logG= -0.657319 TDE= -4.399441 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037508 tlogG= -0.624892 logG= -0.662400 Density= 3.415174 ETOT(band)= -1.572688 trlgG= -2.241856 logG= -0.662400 TDE= -4.403264 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037787 tlogG= -0.616011 logG= -0.653798 Density= 3.417570 ETOT(band)= -1.564023 trlgG= -2.225734 logG= -0.653798 TDE= -4.397725 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037498 tlogG= -0.620220 logG= -0.657718 Density= 3.415345 ETOT(band)= -1.569219 trlgG= -2.233317 logG= -0.657718 TDE= -4.399549 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.037694 tlogG= -0.619531 logG= -0.657225 Density= 3.416821 ETOT(band)= -1.567332 trlgG= -2.231319 logG= -0.657225 TDE= -4.399263 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037780 tlogG= -0.616681 logG= -0.654462 Density= 3.416971 ETOT(band)= -1.565035 trlgG= -2.228028 logG= -0.654462 TDE= -4.398860 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037697 tlogG= -0.619339 logG= -0.657037 Density= 3.416707 ETOT(band)= -1.567118 trlgG= -2.231082 logG= -0.657037 TDE= -4.399120 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037980 tlogG= -0.612867 logG= -0.650847 Density= 3.419113 ETOT(band)= -1.560299 trlgG= -2.221410 logG= -0.650847 TDE= -4.397628 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038213 tlogG= -0.609741 logG= -0.647955 Density= 3.421356 ETOT(band)= -1.556011 trlgG= -2.215574 logG= -0.647955 TDE= -4.396538 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.037532 tlogG= -0.624568 logG= -0.662100 Density= 3.415085 ETOT(band)= -1.572535 trlgG= -2.242826 logG= -0.662100 TDE= -4.404460 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037548 tlogG= -0.626310 logG= -0.663858 Density= 3.415183 ETOT(band)= -1.573655 trlgG= -2.246169 logG= -0.663858 TDE= -4.406126 logGD-logG0= -0.037430 tlogG= -0.625036 logG= -0.662466 Density= 3.414538 ETOT(band)= -1.573363 trlgG= -2.242600 logG= -0.662466 TDE= -4.403416 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038156 tlogG= -0.612101 logG= -0.650257 Density= 3.420680 ETOT(band)= -1.558329 trlgG= -2.219769 logG= -0.650257 TDE= -4.397872 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.037951 tlogG= -0.613302 logG= -0.651253 Density= 3.419097 ETOT(band)= -1.560670 trlgG= -2.220820 logG= -0.651253 TDE= -4.396619 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037602 tlogG= -0.621575 logG= -0.659177 Density= 3.415412 ETOT(band)= -1.570085 trlgG= -2.237311 logG= -0.659177 TDE= -4.402138 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037724 tlogG= -0.619555 logG= -0.657279 Density= 3.417125 ETOT(band)= -1.567032 trlgG= -2.230805 logG= -0.657279 TDE= -4.398947 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037707 tlogG= -0.617096 logG= -0.654803 Density= 3.416702 ETOT(band)= -1.565618 trlgG= -2.228325 logG= -0.654803 TDE= -4.398593 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037607 tlogG= -0.622351 logG= -0.659958 Density= 3.415743 ETOT(band)= -1.570306 trlgG= -2.238006 logG= -0.659958 TDE= -4.402326 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037666 tlogG= -0.623959 logG= -0.661625 Density= 3.416018 ETOT(band)= -1.571198 trlgG= -2.241861 logG= -0.661625 TDE= -4.404741 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038097 tlogG= -0.612243 logG= -0.650340 Density= 3.419926 ETOT(band)= -1.559101 trlgG= -2.220475 logG= -0.650340 TDE= -4.397871 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038373 tlogG= -0.608943 logG= -0.647315 Density= 3.422729 ETOT(band)= -1.554224 trlgG= -2.213992 logG= -0.647315 TDE= -4.396731 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037635 tlogG= -0.617482 logG= -0.655117 Density= 3.416391 ETOT(band)= -1.566203 trlgG= -2.228266 logG= -0.655117 TDE= -4.397962 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038058 tlogG= -0.610465 logG= -0.648523 Density= 3.420081 ETOT(band)= -1.557646 trlgG= -2.216169 logG= -0.648523 TDE= -4.395512 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037784 tlogG= -0.618723 logG= -0.656507 Density= 3.417181 ETOT(band)= -1.566295 trlgG= -2.230844 logG= -0.656507 TDE= -4.399804 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038051 tlogG= -0.612710 logG= -0.650761 Density= 3.419850 ETOT(band)= -1.559535 trlgG= -2.220683 logG= -0.650761 TDE= -4.397596 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037758 tlogG= -0.619760 logG= -0.657518 Density= 3.417626 ETOT(band)= -1.566876 trlgG= -2.230468 logG= -0.657518 TDE= -4.398785 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.037879 tlogG= -0.616397 logG= -0.654276 Density= 3.418192 ETOT(band)= -1.563655 trlgG= -2.226777 logG= -0.654276 TDE= -4.398804 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037674 tlogG= -0.621321 logG= -0.658995 Density= 3.416326 ETOT(band)= -1.568959 trlgG= -2.236013 logG= -0.658995 TDE= -4.401778 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.037659 tlogG= -0.619330 logG= -0.656989 Density= 3.416205 ETOT(band)= -1.567703 trlgG= -2.232148 logG= -0.656989 TDE= -4.399819 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037527 tlogG= -0.621952 logG= -0.659478 Density= 3.415146 ETOT(band)= -1.570620 trlgG= -2.237403 logG= -0.659478 TDE= -4.401709 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.037457 tlogG= -0.622281 logG= -0.659738 Density= 3.414883 ETOT(band)= -1.571102 trlgG= -2.237336 logG= -0.659738 TDE= -4.401165 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 Sum of eigenvalues= -1023.17422886325 eV TrLogG= -1457.59479104681 eV Ratio to renormalize= 0.999899143587 rho-rho_expected= 0.016542120191 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 45) Finished k-point number 46 1 with #bands= 107 4) Finished k-point number 5 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.802663845300236 0.803809845517938 0.803801287903473 0.802244044996453 0.804336117916983 0.803754887124183 0.802957555491896 0.803677619309813 0.803903217346971 0.802873936525775 0.803878912625957 0.803806794495766 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.037791 tlogG= -0.616028 logG= -0.653818 Density= 3.417587 ETOT(band)= -1.564066 trlgG= -2.225798 logG= -0.653818 TDE= -4.397783 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037433 tlogG= -0.625052 logG= -0.662486 Density= 3.414555 ETOT(band)= -1.573406 trlgG= -2.242663 logG= -0.662486 TDE= -4.403473 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037461 tlogG= -0.622297 logG= -0.659758 Density= 3.414899 ETOT(band)= -1.571145 trlgG= -2.237398 logG= -0.659758 TDE= -4.401220 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.037501 tlogG= -0.620236 logG= -0.657738 Density= 3.415362 ETOT(band)= -1.569262 trlgG= -2.233378 logG= -0.657738 TDE= -4.399603 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.037587 tlogG= -0.619753 logG= -0.657339 Density= 3.415883 ETOT(band)= -1.568366 trlgG= -2.232443 logG= -0.657339 TDE= -4.399497 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037431 tlogG= -0.626888 logG= -0.664318 Density= 3.414478 ETOT(band)= -1.574752 trlgG= -2.246148 logG= -0.664318 TDE= -4.405062 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.037875 tlogG= -0.615509 logG= -0.653384 Density= 3.418115 ETOT(band)= -1.563179 trlgG= -2.225688 logG= -0.653384 TDE= -4.398543 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037641 tlogG= -0.624076 logG= -0.661717 Density= 3.415656 ETOT(band)= -1.571702 trlgG= -2.242445 logG= -0.661717 TDE= -4.404934 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038217 tlogG= -0.609758 logG= -0.647975 Density= 3.421374 ETOT(band)= -1.556053 trlgG= -2.215639 logG= -0.647975 TDE= -4.396599 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.037511 tlogG= -0.624908 logG= -0.662419 Density= 3.415190 ETOT(band)= -1.572732 trlgG= -2.241919 logG= -0.662419 TDE= -4.403321 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037698 tlogG= -0.619547 logG= -0.657245 Density= 3.416837 ETOT(band)= -1.567376 trlgG= -2.231382 logG= -0.657245 TDE= -4.399320 logGD-logG0= -0.037531 tlogG= -0.621968 logG= -0.659498 Density= 3.415162 ETOT(band)= -1.570664 trlgG= -2.237467 logG= -0.659498 TDE= -4.401766 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037663 tlogG= -0.619347 logG= -0.657009 Density= 3.416222 ETOT(band)= -1.567746 trlgG= -2.232211 logG= -0.657009 TDE= -4.399876 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037660 tlogG= -0.621671 logG= -0.659331 Density= 3.416383 ETOT(band)= -1.569294 trlgG= -2.235942 logG= -0.659331 TDE= -4.401419 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037679 tlogG= -0.625724 logG= -0.663403 Density= 3.415942 ETOT(band)= -1.572590 trlgG= -2.245527 logG= -0.663403 TDE= -4.406566 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.037678 tlogG= -0.621337 logG= -0.659015 Density= 3.416342 ETOT(band)= -1.569002 trlgG= -2.236077 logG= -0.659015 TDE= -4.401836 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.037639 tlogG= -0.617498 logG= -0.655137 Density= 3.416408 ETOT(band)= -1.566246 trlgG= -2.228330 logG= -0.655137 TDE= -4.398020 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037648 tlogG= -0.621961 logG= -0.659609 Density= 3.416493 ETOT(band)= -1.569489 trlgG= -2.235477 logG= -0.659609 TDE= -4.400767 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.037594 tlogG= -0.619721 logG= -0.657315 Density= 3.415417 ETOT(band)= -1.568774 trlgG= -2.233035 logG= -0.657315 TDE= -4.399729 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037670 tlogG= -0.623975 logG= -0.661644 Density= 3.416034 ETOT(band)= -1.571241 trlgG= -2.241924 logG= -0.661644 TDE= -4.404799 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038100 tlogG= -0.612260 logG= -0.650360 Density= 3.419944 ETOT(band)= -1.559143 trlgG= -2.220540 logG= -0.650360 TDE= -4.397931 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.037883 tlogG= -0.616413 logG= -0.654296 Density= 3.418210 ETOT(band)= -1.563698 trlgG= -2.226842 logG= -0.654296 TDE= -4.398863 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037743 tlogG= -0.619163 logG= -0.656907 Density= 3.416992 ETOT(band)= -1.566897 trlgG= -2.231313 logG= -0.656907 TDE= -4.399718 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037534 tlogG= -0.622813 logG= -0.660348 Density= 3.415390 ETOT(band)= -1.571037 trlgG= -2.238179 logG= -0.660348 TDE= -4.401817 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037869 tlogG= -0.613477 logG= -0.651346 Density= 3.418308 ETOT(band)= -1.561517 trlgG= -2.221655 logG= -0.651346 TDE= -4.396708 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=133 logGD-logG0= -0.037552 tlogG= -0.626325 logG= -0.663878 Density= 3.415199 ETOT(band)= -1.573698 trlgG= -2.246233 logG= -0.663878 TDE= -4.406183 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.037536 tlogG= -0.624584 logG= -0.662120 Density= 3.415102 ETOT(band)= -1.572578 trlgG= -2.242890 logG= -0.662120 TDE= -4.404518 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037829 tlogG= -0.617157 logG= -0.654986 Density= 3.418094 ETOT(band)= -1.564527 trlgG= -2.226674 logG= -0.654986 TDE= -4.397910 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037728 tlogG= -0.619571 logG= -0.657299 Density= 3.417142 ETOT(band)= -1.567075 trlgG= -2.230868 logG= -0.657299 TDE= -4.399003 logGD-logG0= -0.037611 tlogG= -0.622367 logG= -0.659978 Density= 3.415759 ETOT(band)= -1.570349 trlgG= -2.238069 logG= -0.659978 TDE= -4.402383 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038377 tlogG= -0.608959 logG= -0.647336 Density= 3.422748 ETOT(band)= -1.554266 trlgG= -2.214057 logG= -0.647336 TDE= -4.396791 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037984 tlogG= -0.612883 logG= -0.650867 Density= 3.419131 ETOT(band)= -1.560341 trlgG= -2.221475 logG= -0.650867 TDE= -4.397688 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037762 tlogG= -0.619777 logG= -0.657538 Density= 3.417643 ETOT(band)= -1.566920 trlgG= -2.230530 logG= -0.657538 TDE= -4.398840 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.037965 tlogG= -0.614985 logG= -0.652950 Density= 3.418681 ETOT(band)= -1.562265 trlgG= -2.225048 logG= -0.652950 TDE= -4.398806 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.037854 tlogG= -0.616794 logG= -0.654648 Density= 3.418123 ETOT(band)= -1.564145 trlgG= -2.226970 logG= -0.654648 TDE= -4.398568 logGD-logG0= -0.037587 tlogG= -0.624455 logG= -0.662043 Density= 3.415593 ETOT(band)= -1.572016 trlgG= -2.242258 logG= -0.662043 TDE= -4.404370 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037691 tlogG= -0.621902 logG= -0.659593 Density= 3.416174 ETOT(band)= -1.569614 trlgG= -2.237730 logG= -0.659593 TDE= -4.402772 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038062 tlogG= -0.610481 logG= -0.648543 Density= 3.420099 ETOT(band)= -1.557688 trlgG= -2.216235 logG= -0.648543 TDE= -4.395572 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038055 tlogG= -0.612726 logG= -0.650781 Density= 3.419868 ETOT(band)= -1.559578 trlgG= -2.220748 logG= -0.650781 TDE= -4.397656 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037606 tlogG= -0.621591 logG= -0.659197 Density= 3.415428 ETOT(band)= -1.570129 trlgG= -2.237374 logG= -0.659197 TDE= -4.402196 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037784 tlogG= -0.616698 logG= -0.654482 Density= 3.416988 ETOT(band)= -1.565078 trlgG= -2.228094 logG= -0.654482 TDE= -4.398920 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037788 tlogG= -0.618739 logG= -0.656527 Density= 3.417198 ETOT(band)= -1.566338 trlgG= -2.230908 logG= -0.656527 TDE= -4.399862 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.037545 tlogG= -0.619985 logG= -0.657529 Density= 3.415394 ETOT(band)= -1.569020 trlgG= -2.233179 logG= -0.657529 TDE= -4.399640 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037739 tlogG= -0.618898 logG= -0.656637 Density= 3.416555 ETOT(band)= -1.567083 trlgG= -2.231625 logG= -0.656637 TDE= -4.399938 logGD-logG0= -0.038160 tlogG= -0.612117 logG= -0.650277 Density= 3.420698 ETOT(band)= -1.558371 trlgG= -2.219834 logG= -0.650277 TDE= -4.397932 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.037701 tlogG= -0.619355 logG= -0.657057 Density= 3.416724 ETOT(band)= -1.567161 trlgG= -2.231146 logG= -0.657057 TDE= -4.399178 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037955 tlogG= -0.613318 logG= -0.651273 Density= 3.419115 ETOT(band)= -1.560712 trlgG= -2.220886 logG= -0.651273 TDE= -4.396679 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037711 tlogG= -0.617113 logG= -0.654823 Density= 3.416719 ETOT(band)= -1.565661 trlgG= -2.228391 logG= -0.654823 TDE= -4.398652 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 Sum of eigenvalues= -1023.20229738010 eV TrLogG= -1457.64574940123 eV Ratio to renormalize= 0.999894155256 rho-rho_expected= 0.017360375599 nargs= 1 argi=dmft2.def 39) Finished k-point number 40 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 37) Finished k-point number 38 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 3) Finished k-point number 4 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 4) Finished k-point number 5 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 12) Finished k-point number 13 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 24) Finished k-point number 25 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.802624230352786 0.803771588201061 0.803761485484752 0.802204322158178 0.804297644802147 0.803715186544121 0.802918120006367 0.803639428136203 0.803863369560335 0.802834659360627 0.803840306032797 0.803766925782937 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.037575 tlogG= -0.619622 logG= -0.657197 Density= 3.415330 ETOT(band)= -1.568506 trlgG= -2.232651 logG= -0.657197 TDE= -4.399390 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037856 tlogG= -0.615410 logG= -0.653266 Density= 3.418021 ETOT(band)= -1.562916 trlgG= -2.225288 logG= -0.653266 TDE= -4.398184 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037567 tlogG= -0.619654 logG= -0.657222 Density= 3.415795 ETOT(band)= -1.568100 trlgG= -2.232058 logG= -0.657222 TDE= -4.399158 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037629 tlogG= -0.621863 logG= -0.659491 Density= 3.416405 ETOT(band)= -1.569222 trlgG= -2.235098 logG= -0.659491 TDE= -4.400432 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.037622 tlogG= -0.623979 logG= -0.661601 Density= 3.415569 ETOT(band)= -1.571435 trlgG= -2.242058 logG= -0.661601 TDE= -4.404591 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037517 tlogG= -0.624487 logG= -0.662004 Density= 3.415015 ETOT(band)= -1.572312 trlgG= -2.242503 logG= -0.662004 TDE= -4.404175 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037964 tlogG= -0.612784 logG= -0.650748 Density= 3.419034 ETOT(band)= -1.560080 trlgG= -2.221077 logG= -0.650748 TDE= -4.397328 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037515 tlogG= -0.622716 logG= -0.660231 Density= 3.415302 ETOT(band)= -1.570770 trlgG= -2.237800 logG= -0.660231 TDE= -4.401483 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037724 tlogG= -0.619065 logG= -0.656789 Density= 3.416902 ETOT(band)= -1.566631 trlgG= -2.230923 logG= -0.656789 TDE= -4.399370 logGD-logG0= -0.037641 tlogG= -0.621573 logG= -0.659214 Density= 3.416295 ETOT(band)= -1.569027 trlgG= -2.235555 logG= -0.659214 TDE= -4.401076 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037719 tlogG= -0.618800 logG= -0.656519 Density= 3.416466 ETOT(band)= -1.566817 trlgG= -2.231235 logG= -0.656519 TDE= -4.399592 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.037586 tlogG= -0.621493 logG= -0.659079 Density= 3.415341 ETOT(band)= -1.569862 trlgG= -2.236986 logG= -0.659079 TDE= -4.401853 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037412 tlogG= -0.626791 logG= -0.664203 Density= 3.414392 ETOT(band)= -1.574485 trlgG= -2.245762 logG= -0.664203 TDE= -4.404721 logGD-logG0= -0.037678 tlogG= -0.619449 logG= -0.657127 Density= 3.416748 ETOT(band)= -1.567109 trlgG= -2.230995 logG= -0.657127 TDE= -4.398977 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.037492 tlogG= -0.624811 logG= -0.662303 Density= 3.415103 ETOT(band)= -1.572464 trlgG= -2.241535 logG= -0.662303 TDE= -4.402981 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037743 tlogG= -0.619678 logG= -0.657420 Density= 3.417554 ETOT(band)= -1.566653 trlgG= -2.230154 logG= -0.657420 TDE= -4.398509 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.037620 tlogG= -0.617399 logG= -0.655019 Density= 3.416317 ETOT(band)= -1.565980 trlgG= -2.227937 logG= -0.655019 TDE= -4.397671 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037771 tlogG= -0.615929 logG= -0.653700 Density= 3.417495 ETOT(band)= -1.563802 trlgG= -2.225405 logG= -0.653700 TDE= -4.397431 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037660 tlogG= -0.625627 logG= -0.663288 Density= 3.415854 ETOT(band)= -1.572324 trlgG= -2.245141 logG= -0.663288 TDE= -4.406224 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.037691 tlogG= -0.617014 logG= -0.654705 Density= 3.416628 ETOT(band)= -1.565396 trlgG= -2.227991 logG= -0.654705 TDE= -4.398296 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037945 tlogG= -0.614886 logG= -0.652832 Density= 3.418586 ETOT(band)= -1.562002 trlgG= -2.224650 logG= -0.652832 TDE= -4.398447 logGD-logG0= -0.038042 tlogG= -0.610383 logG= -0.648424 Density= 3.420000 ETOT(band)= -1.557428 trlgG= -2.215838 logG= -0.648424 TDE= -4.395212 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037769 tlogG= -0.618641 logG= -0.656410 Density= 3.417107 ETOT(band)= -1.566073 trlgG= -2.230515 logG= -0.656410 TDE= -4.399512 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038197 tlogG= -0.609659 logG= -0.647856 Density= 3.421272 ETOT(band)= -1.555795 trlgG= -2.215245 logG= -0.647856 TDE= -4.396239 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038356 tlogG= -0.608861 logG= -0.647217 Density= 3.422643 ETOT(band)= -1.554010 trlgG= -2.213665 logG= -0.647217 TDE= -4.396432 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.037482 tlogG= -0.620137 logG= -0.657619 Density= 3.415274 ETOT(band)= -1.568994 trlgG= -2.233005 logG= -0.657619 TDE= -4.399276 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.037526 tlogG= -0.619885 logG= -0.657411 Density= 3.415307 ETOT(band)= -1.568752 trlgG= -2.232797 logG= -0.657411 TDE= -4.399304 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038035 tlogG= -0.612627 logG= -0.650663 Density= 3.419770 ETOT(band)= -1.559317 trlgG= -2.220351 logG= -0.650663 TDE= -4.397296 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037708 tlogG= -0.619472 logG= -0.657181 Density= 3.417052 ETOT(band)= -1.566808 trlgG= -2.230487 logG= -0.657181 TDE= -4.398667 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037849 tlogG= -0.613378 logG= -0.651227 Density= 3.418213 ETOT(band)= -1.561254 trlgG= -2.221256 logG= -0.651227 TDE= -4.396350 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.037414 tlogG= -0.624955 logG= -0.662369 Density= 3.414468 ETOT(band)= -1.573139 trlgG= -2.242280 logG= -0.662369 TDE= -4.403135 logGD-logG0= -0.037511 tlogG= -0.621870 logG= -0.659381 Density= 3.415075 ETOT(band)= -1.570396 trlgG= -2.237078 logG= -0.659381 TDE= -4.401423 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037864 tlogG= -0.616315 logG= -0.654178 Density= 3.418115 ETOT(band)= -1.563435 trlgG= -2.226446 logG= -0.654178 TDE= -4.398508 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.037442 tlogG= -0.622199 logG= -0.659641 Density= 3.414812 ETOT(band)= -1.570877 trlgG= -2.237020 logG= -0.659641 TDE= -4.400888 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.037533 tlogG= -0.626229 logG= -0.663762 Density= 3.415112 ETOT(band)= -1.573431 trlgG= -2.245846 logG= -0.663762 TDE= -4.405841 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.037672 tlogG= -0.621805 logG= -0.659476 Density= 3.416085 ETOT(band)= -1.569348 trlgG= -2.237344 logG= -0.659476 TDE= -4.402429 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.038140 tlogG= -0.612018 logG= -0.650158 Density= 3.420598 ETOT(band)= -1.558112 trlgG= -2.219439 logG= -0.650158 TDE= -4.397573 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037568 tlogG= -0.624358 logG= -0.661926 Density= 3.415506 ETOT(band)= -1.571749 trlgG= -2.241872 logG= -0.661926 TDE= -4.404027 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.037658 tlogG= -0.621239 logG= -0.658897 Density= 3.416253 ETOT(band)= -1.568736 trlgG= -2.235690 logG= -0.658897 TDE= -4.401493 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037935 tlogG= -0.613219 logG= -0.651155 Density= 3.419019 ETOT(band)= -1.560450 trlgG= -2.220488 logG= -0.651155 TDE= -4.396321 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037644 tlogG= -0.619248 logG= -0.656892 Density= 3.416132 ETOT(band)= -1.567480 trlgG= -2.231826 logG= -0.656892 TDE= -4.399534 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037651 tlogG= -0.623877 logG= -0.661528 Density= 3.415946 ETOT(band)= -1.570974 trlgG= -2.241538 logG= -0.661528 TDE= -4.404456 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037765 tlogG= -0.616599 logG= -0.654364 Density= 3.416897 ETOT(band)= -1.564813 trlgG= -2.227694 logG= -0.654364 TDE= -4.398562 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037592 tlogG= -0.622269 logG= -0.659861 Density= 3.415671 ETOT(band)= -1.570082 trlgG= -2.237683 logG= -0.659861 TDE= -4.402041 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037682 tlogG= -0.619257 logG= -0.656939 Density= 3.416633 ETOT(band)= -1.566896 trlgG= -2.230759 logG= -0.656939 TDE= -4.398834 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037834 tlogG= -0.616695 logG= -0.654530 Density= 3.418030 ETOT(band)= -1.563881 trlgG= -2.226573 logG= -0.654530 TDE= -4.398213 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038080 tlogG= -0.612161 logG= -0.650241 Density= 3.419845 ETOT(band)= -1.558883 trlgG= -2.220143 logG= -0.650241 TDE= -4.397572 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.037810 tlogG= -0.617058 logG= -0.654868 Density= 3.418003 ETOT(band)= -1.564261 trlgG= -2.226283 logG= -0.654868 TDE= -4.397562 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1023.02924009718 eV TrLogG= -1457.34250872863 eV Ratio to renormalize= 0.999920785268 rho-rho_expected= 0.012992245159 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 28) Finished k-point number 29 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 23) Finished k-point number 24 1 with #bands= 107 21) Finished k-point number 22 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.802592506432972 0.803751618676357 0.803744115919042 0.802172291292761 0.804277976429687 0.803697782749717 0.802886385279796 0.803619596969521 0.803845988258383 0.802802866193239 0.803820481850662 0.803749503438000 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.037487 tlogG= -0.624836 logG= -0.662322 Density= 3.415081 ETOT(band)= -1.572473 trlgG= -2.241564 logG= -0.662322 TDE= -4.402972 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037673 tlogG= -0.619474 logG= -0.657146 Density= 3.416726 ETOT(band)= -1.567118 trlgG= -2.231023 logG= -0.657146 TDE= -4.398967 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.037718 tlogG= -0.619090 logG= -0.656808 Density= 3.416880 ETOT(band)= -1.566640 trlgG= -2.230950 logG= -0.656808 TDE= -4.399360 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037614 tlogG= -0.617424 logG= -0.655038 Density= 3.416295 ETOT(band)= -1.565989 trlgG= -2.227964 logG= -0.655038 TDE= -4.397661 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037703 tlogG= -0.619497 logG= -0.657200 Density= 3.417030 ETOT(band)= -1.566817 trlgG= -2.230516 logG= -0.657200 TDE= -4.398658 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037653 tlogG= -0.621264 logG= -0.658917 Density= 3.416231 ETOT(band)= -1.568745 trlgG= -2.235718 logG= -0.658917 TDE= -4.401483 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037666 tlogG= -0.621830 logG= -0.659496 Density= 3.416063 ETOT(band)= -1.569357 trlgG= -2.237372 logG= -0.659496 TDE= -4.402419 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.037406 tlogG= -0.626816 logG= -0.664222 Density= 3.414369 ETOT(band)= -1.574495 trlgG= -2.245791 logG= -0.664222 TDE= -4.404711 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.037476 tlogG= -0.620162 logG= -0.657638 Density= 3.415251 ETOT(band)= -1.569003 trlgG= -2.233036 logG= -0.657638 TDE= -4.399269 logGD-logG0= -0.037958 tlogG= -0.612809 logG= -0.650767 Density= 3.419011 ETOT(band)= -1.560089 trlgG= -2.221102 logG= -0.650767 TDE= -4.397315 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037509 tlogG= -0.622741 logG= -0.660250 Density= 3.415280 ETOT(band)= -1.570779 trlgG= -2.237830 logG= -0.660250 TDE= -4.401475 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037581 tlogG= -0.621518 logG= -0.659098 Density= 3.415319 ETOT(band)= -1.569871 trlgG= -2.237014 logG= -0.659098 TDE= -4.401842 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037763 tlogG= -0.618666 logG= -0.656429 Density= 3.417084 ETOT(band)= -1.566082 trlgG= -2.230542 logG= -0.656429 TDE= -4.399501 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.037586 tlogG= -0.622294 logG= -0.659880 Density= 3.415649 ETOT(band)= -1.570091 trlgG= -2.237711 logG= -0.659880 TDE= -4.402031 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037623 tlogG= -0.621887 logG= -0.659510 Density= 3.416383 ETOT(band)= -1.569230 trlgG= -2.235127 logG= -0.659510 TDE= -4.400424 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038030 tlogG= -0.612652 logG= -0.650682 Density= 3.419748 ETOT(band)= -1.559326 trlgG= -2.220376 logG= -0.650682 TDE= -4.397284 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037654 tlogG= -0.625653 logG= -0.663307 Density= 3.415832 ETOT(band)= -1.572334 trlgG= -2.245170 logG= -0.663307 TDE= -4.406214 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.037638 tlogG= -0.619273 logG= -0.656911 Density= 3.416110 ETOT(band)= -1.567489 trlgG= -2.231854 logG= -0.656911 TDE= -4.399525 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038134 tlogG= -0.612043 logG= -0.650177 Density= 3.420575 ETOT(band)= -1.558121 trlgG= -2.219464 logG= -0.650177 TDE= -4.397561 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.037616 tlogG= -0.624004 logG= -0.661620 Density= 3.415546 ETOT(band)= -1.571445 trlgG= -2.242086 logG= -0.661620 TDE= -4.404581 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037940 tlogG= -0.614911 logG= -0.652851 Density= 3.418563 ETOT(band)= -1.562011 trlgG= -2.224675 logG= -0.652851 TDE= -4.398434 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.037844 tlogG= -0.613402 logG= -0.651246 Density= 3.418190 ETOT(band)= -1.561263 trlgG= -2.221282 logG= -0.651246 TDE= -4.396338 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037850 tlogG= -0.615435 logG= -0.653285 Density= 3.417999 ETOT(band)= -1.562925 trlgG= -2.225314 logG= -0.653285 TDE= -4.398172 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037635 tlogG= -0.621598 logG= -0.659233 Density= 3.416273 ETOT(band)= -1.569036 trlgG= -2.235583 logG= -0.659233 TDE= -4.401066 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037569 tlogG= -0.619646 logG= -0.657216 Density= 3.415307 ETOT(band)= -1.568515 trlgG= -2.232679 logG= -0.657216 TDE= -4.399382 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037759 tlogG= -0.616624 logG= -0.654383 Density= 3.416875 ETOT(band)= -1.564821 trlgG= -2.227719 logG= -0.654383 TDE= -4.398550 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037930 tlogG= -0.613244 logG= -0.651173 Density= 3.418997 ETOT(band)= -1.560459 trlgG= -2.220513 logG= -0.651173 TDE= -4.396308 logGD-logG0= -0.037511 tlogG= -0.624512 logG= -0.662023 Density= 3.414992 ETOT(band)= -1.572321 trlgG= -2.242531 logG= -0.662023 TDE= -4.404165 logGD-logG0= -0.037765 tlogG= -0.615953 logG= -0.653719 Density= 3.417472 ETOT(band)= -1.563811 trlgG= -2.225431 logG= -0.653719 TDE= -4.397420 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037645 tlogG= -0.623903 logG= -0.661548 Density= 3.415924 ETOT(band)= -1.570984 trlgG= -2.241566 logG= -0.661548 TDE= -4.404446 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037686 tlogG= -0.617038 logG= -0.654724 Density= 3.416605 ETOT(band)= -1.565405 trlgG= -2.228017 logG= -0.654724 TDE= -4.398284 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037562 tlogG= -0.619679 logG= -0.657241 Density= 3.415772 ETOT(band)= -1.568109 trlgG= -2.232087 logG= -0.657241 TDE= -4.399149 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038036 tlogG= -0.610407 logG= -0.648443 Density= 3.419976 ETOT(band)= -1.557437 trlgG= -2.215864 logG= -0.648443 TDE= -4.395199 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038191 tlogG= -0.609684 logG= -0.647875 Density= 3.421249 ETOT(band)= -1.555804 trlgG= -2.215270 logG= -0.647875 TDE= -4.396226 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.037409 tlogG= -0.624980 logG= -0.662389 Density= 3.414446 ETOT(band)= -1.573148 trlgG= -2.242310 logG= -0.662389 TDE= -4.403127 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037527 tlogG= -0.626254 logG= -0.663781 Density= 3.415089 ETOT(band)= -1.573441 trlgG= -2.245875 logG= -0.663781 TDE= -4.405831 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.037562 tlogG= -0.624383 logG= -0.661946 Density= 3.415483 ETOT(band)= -1.571758 trlgG= -2.241900 logG= -0.661946 TDE= -4.404018 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.037714 tlogG= -0.618825 logG= -0.656539 Density= 3.416443 ETOT(band)= -1.566826 trlgG= -2.231263 logG= -0.656539 TDE= -4.399582 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038075 tlogG= -0.612186 logG= -0.650260 Density= 3.419822 ETOT(band)= -1.558892 trlgG= -2.220169 logG= -0.650260 TDE= -4.397559 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.037858 tlogG= -0.616339 logG= -0.654197 Density= 3.418093 ETOT(band)= -1.563444 trlgG= -2.226472 logG= -0.654197 TDE= -4.398496 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.037520 tlogG= -0.619910 logG= -0.657430 Density= 3.415284 ETOT(band)= -1.568761 trlgG= -2.232826 logG= -0.657430 TDE= -4.399295 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037676 tlogG= -0.619281 logG= -0.656958 Density= 3.416611 ETOT(band)= -1.566904 trlgG= -2.230787 logG= -0.656958 TDE= -4.398825 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037828 tlogG= -0.616720 logG= -0.654548 Density= 3.418008 ETOT(band)= -1.563889 trlgG= -2.226599 logG= -0.654548 TDE= -4.398202 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038350 tlogG= -0.608885 logG= -0.647236 Density= 3.422620 ETOT(band)= -1.554019 trlgG= -2.213690 logG= -0.647236 TDE= -4.396419 logGD-logG0= -0.037804 tlogG= -0.617082 logG= -0.654886 Density= 3.417981 ETOT(band)= -1.564269 trlgG= -2.226309 logG= -0.654886 TDE= -4.397551 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037506 tlogG= -0.621894 logG= -0.659400 Density= 3.415053 ETOT(band)= -1.570405 trlgG= -2.237106 logG= -0.659400 TDE= -4.401413 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.037436 tlogG= -0.622224 logG= -0.659660 Density= 3.414790 ETOT(band)= -1.570886 trlgG= -2.237051 logG= -0.659660 TDE= -4.400881 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=121 logGD-logG0= -0.037737 tlogG= -0.619702 logG= -0.657439 Density= 3.417532 ETOT(band)= -1.566661 trlgG= -2.230183 logG= -0.657439 TDE= -4.398502 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 Sum of eigenvalues= -1023.03500747712 eV TrLogG= -1457.34821255571 eV Ratio to renormalize= 0.999927382814 rho-rho_expected= 0.011910083342 nargs= 1 argi=dmft2.def 27) Finished k-point number 28 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 34) Finished k-point number 35 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 33) Finished k-point number 34 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 28) Finished k-point number 29 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.802524487992680 0.803703664018022 0.803690170169751 0.802103819243200 0.804230342274787 0.803643959686866 0.802818403337091 0.803571668756953 0.803792257252314 0.802734800686344 0.803772583368971 0.803695577378113 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.037626 tlogG= -0.621699 logG= -0.659325 Density= 3.416238 ETOT(band)= -1.569130 trlgG= -2.235768 logG= -0.659325 TDE= -4.401131 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037756 tlogG= -0.616055 logG= -0.653811 Density= 3.417437 ETOT(band)= -1.563905 trlgG= -2.225615 logG= -0.653811 TDE= -4.397483 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037606 tlogG= -0.624107 logG= -0.661713 Density= 3.415510 ETOT(band)= -1.571541 trlgG= -2.242274 logG= -0.661713 TDE= -4.404646 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.037426 tlogG= -0.622325 logG= -0.659752 Density= 3.414754 ETOT(band)= -1.570981 trlgG= -2.237241 logG= -0.659752 TDE= -4.400950 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.037663 tlogG= -0.619575 logG= -0.657238 Density= 3.416691 ETOT(band)= -1.567212 trlgG= -2.231208 logG= -0.657238 TDE= -4.399032 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037644 tlogG= -0.625757 logG= -0.663401 Density= 3.415796 ETOT(band)= -1.572430 trlgG= -2.245359 logG= -0.663401 TDE= -4.406280 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.037517 tlogG= -0.626358 logG= -0.663875 Density= 3.415053 ETOT(band)= -1.573537 trlgG= -2.246064 logG= -0.663875 TDE= -4.405897 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.037467 tlogG= -0.620263 logG= -0.657729 Density= 3.415216 ETOT(band)= -1.569097 trlgG= -2.233226 logG= -0.657729 TDE= -4.399340 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.037840 tlogG= -0.615537 logG= -0.653377 Density= 3.417963 ETOT(band)= -1.563019 trlgG= -2.225495 logG= -0.653377 TDE= -4.398232 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037708 tlogG= -0.619192 logG= -0.656900 Density= 3.416845 ETOT(band)= -1.566734 trlgG= -2.231135 logG= -0.656900 TDE= -4.399424 18) Finished k-point 19 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037500 tlogG= -0.622843 logG= -0.660342 Density= 3.415244 ETOT(band)= -1.570874 trlgG= -2.238019 logG= -0.660342 TDE= -4.401543 logGD-logG0= -0.037496 tlogG= -0.621996 logG= -0.659492 Density= 3.415017 ETOT(band)= -1.570500 trlgG= -2.237292 logG= -0.659492 TDE= -4.401478 logGD-logG0= -0.037571 tlogG= -0.621620 logG= -0.659191 Density= 3.415283 ETOT(band)= -1.569966 trlgG= -2.237200 logG= -0.659191 TDE= -4.401907 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037604 tlogG= -0.617525 logG= -0.655129 Density= 3.416259 ETOT(band)= -1.566083 trlgG= -2.228148 logG= -0.655129 TDE= -4.397724 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037727 tlogG= -0.619803 logG= -0.657530 Density= 3.417499 ETOT(band)= -1.566752 trlgG= -2.230370 logG= -0.657530 TDE= -4.398570 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.037693 tlogG= -0.619598 logG= -0.657291 Density= 3.416996 ETOT(band)= -1.566910 trlgG= -2.230702 logG= -0.657291 TDE= -4.398725 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037396 tlogG= -0.626919 logG= -0.664315 Density= 3.414333 ETOT(band)= -1.574591 trlgG= -2.245979 logG= -0.664315 TDE= -4.404777 logGD-logG0= -0.037643 tlogG= -0.621366 logG= -0.659009 Density= 3.416195 ETOT(band)= -1.568840 trlgG= -2.235904 logG= -0.659009 TDE= -4.401547 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.037552 tlogG= -0.619781 logG= -0.657332 Density= 3.415736 ETOT(band)= -1.568203 trlgG= -2.232274 logG= -0.657332 TDE= -4.399215 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037848 tlogG= -0.616441 logG= -0.654289 Density= 3.418057 ETOT(band)= -1.563538 trlgG= -2.226655 logG= -0.654289 TDE= -4.398557 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.037552 tlogG= -0.624486 logG= -0.662038 Density= 3.415448 ETOT(band)= -1.571854 trlgG= -2.242087 logG= -0.662038 TDE= -4.404083 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.037399 tlogG= -0.625082 logG= -0.662481 Density= 3.414410 ETOT(band)= -1.573244 trlgG= -2.242499 logG= -0.662481 TDE= -4.403194 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038124 tlogG= -0.612145 logG= -0.650270 logGD-logG0= -0.037834 tlogG= -0.613504 logG= -0.651337 Density= 3.418154 ETOT(band)= -1.561358 trlgG= -2.221464 logG= -0.651337 TDE= -4.396398 Density= 3.420540 ETOT(band)= -1.558216 trlgG= -2.219646 logG= -0.650270 TDE= -4.397621 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037560 tlogG= -0.619748 logG= -0.657308 Density= 3.415272 ETOT(band)= -1.568610 trlgG= -2.232867 logG= -0.657308 TDE= -4.399448 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037949 tlogG= -0.612911 logG= -0.650859 Density= 3.418975 ETOT(band)= -1.560184 trlgG= -2.221284 logG= -0.650859 TDE= -4.397375 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038181 tlogG= -0.609786 logG= -0.647967 Density= 3.421212 ETOT(band)= -1.555899 trlgG= -2.215453 logG= -0.647967 TDE= -4.396286 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037795 tlogG= -0.617183 logG= -0.654978 Density= 3.417947 ETOT(band)= -1.564362 trlgG= -2.226492 logG= -0.654978 TDE= -4.397614 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038020 tlogG= -0.612754 logG= -0.650773 Density= 3.419712 ETOT(band)= -1.559420 trlgG= -2.220558 logG= -0.650773 TDE= -4.397344 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037667 tlogG= -0.619383 logG= -0.657050 Density= 3.416575 ETOT(band)= -1.566999 trlgG= -2.230973 logG= -0.657050 TDE= -4.398890 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037819 tlogG= -0.616821 logG= -0.654640 Density= 3.417973 ETOT(band)= -1.563983 trlgG= -2.226781 logG= -0.654640 TDE= -4.398263 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038065 tlogG= -0.612288 logG= -0.650353 Density= 3.419786 ETOT(band)= -1.558987 trlgG= -2.220351 logG= -0.650353 TDE= -4.397620 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.037510 tlogG= -0.620012 logG= -0.657521 Density= 3.415249 ETOT(band)= -1.568855 trlgG= -2.233014 logG= -0.657521 TDE= -4.399363 logGD-logG0= -0.037477 tlogG= -0.624938 logG= -0.662415 Density= 3.415046 ETOT(band)= -1.572569 trlgG= -2.241752 logG= -0.662415 TDE= -4.403039 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037501 tlogG= -0.624615 logG= -0.662116 Density= 3.414956 ETOT(band)= -1.572417 trlgG= -2.242718 logG= -0.662116 TDE= -4.404230 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037920 tlogG= -0.613345 logG= -0.651265 Density= 3.418961 ETOT(band)= -1.560553 trlgG= -2.220694 logG= -0.651265 TDE= -4.396369 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038340 tlogG= -0.608988 logG= -0.647328 Density= 3.422584 ETOT(band)= -1.554114 trlgG= -2.213873 logG= -0.647328 TDE= -4.396480 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037753 tlogG= -0.618768 logG= -0.656521 Density= 3.417049 ETOT(band)= -1.566177 trlgG= -2.230727 logG= -0.656521 TDE= -4.399564 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.037613 tlogG= -0.621989 logG= -0.659602 Density= 3.416349 ETOT(band)= -1.569323 trlgG= -2.235314 logG= -0.659602 TDE= -4.400491 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.037656 tlogG= -0.621933 logG= -0.659589 Density= 3.416027 ETOT(band)= -1.569452 trlgG= -2.237560 logG= -0.659589 TDE= -4.402484 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.037749 tlogG= -0.616726 logG= -0.654475 Density= 3.416839 ETOT(band)= -1.564917 trlgG= -2.227902 logG= -0.654475 TDE= -4.398611 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037635 tlogG= -0.624006 logG= -0.661641 Density= 3.415888 ETOT(band)= -1.571080 trlgG= -2.241754 logG= -0.661641 TDE= -4.404511 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037704 tlogG= -0.618927 logG= -0.656631 Density= 3.416407 ETOT(band)= -1.566921 trlgG= -2.231450 logG= -0.656631 TDE= -4.399646 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.037676 tlogG= -0.617140 logG= -0.654816 Density= 3.416570 ETOT(band)= -1.565500 trlgG= -2.228199 logG= -0.654816 TDE= -4.398345 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.037576 tlogG= -0.622396 logG= -0.659972 Density= 3.415613 ETOT(band)= -1.570187 trlgG= -2.237898 logG= -0.659972 TDE= -4.402096 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037628 tlogG= -0.619375 logG= -0.657003 Density= 3.416074 ETOT(band)= -1.567584 trlgG= -2.232041 logG= -0.657003 TDE= -4.399590 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038026 tlogG= -0.610509 logG= -0.648535 Density= 3.419940 ETOT(band)= -1.557533 trlgG= -2.216045 logG= -0.648535 TDE= -4.395259 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037930 tlogG= -0.615013 logG= -0.652943 Density= 3.418527 ETOT(band)= -1.562107 trlgG= -2.224858 logG= -0.652943 TDE= -4.398495 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 Sum of eigenvalues= -1023.09700723625 eV TrLogG= -1457.45015901711 eV Ratio to renormalize= 0.999937780595 rho-rho_expected= 0.010204617337 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 19) Finished k-point number 20 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 11) Finished k-point number 12 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 10) Finished k-point number 11 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.802497494999491 0.803684031911638 0.803668520240616 0.802076711263047 0.804210891673255 0.803622310557201 0.802791457706120 0.803552079945599 0.803770684842108 0.802707890426157 0.803753244406975 0.803673877528462 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.037834 tlogG= -0.615529 logG= -0.653364 Density= 3.417939 ETOT(band)= -1.562977 trlgG= -2.225436 logG= -0.653364 TDE= -4.398167 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037601 tlogG= -0.624100 logG= -0.661701 Density= 3.415488 ETOT(band)= -1.571498 trlgG= -2.242219 logG= -0.661701 TDE= -4.404585 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037494 tlogG= -0.622835 logG= -0.660329 Density= 3.415222 ETOT(band)= -1.570831 trlgG= -2.237965 logG= -0.660329 TDE= -4.401483 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037657 tlogG= -0.619567 logG= -0.657225 Density= 3.416669 ETOT(band)= -1.567168 trlgG= -2.231152 logG= -0.657225 TDE= -4.398970 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037461 tlogG= -0.620255 logG= -0.657716 Density= 3.415194 ETOT(band)= -1.569054 trlgG= -2.233174 logG= -0.657716 TDE= -4.399282 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.037546 tlogG= -0.619773 logG= -0.657319 Density= 3.415714 ETOT(band)= -1.568161 trlgG= -2.232219 logG= -0.657319 TDE= -4.399154 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037750 tlogG= -0.616047 logG= -0.653797 Density= 3.417414 ETOT(band)= -1.563862 trlgG= -2.225557 logG= -0.653797 TDE= -4.397419 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037496 tlogG= -0.624607 logG= -0.662103 Density= 3.414933 ETOT(band)= -1.572374 trlgG= -2.242663 logG= -0.662103 TDE= -4.404168 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037565 tlogG= -0.621613 logG= -0.659178 Density= 3.415260 ETOT(band)= -1.569923 trlgG= -2.237144 logG= -0.659178 TDE= -4.401845 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037703 tlogG= -0.619184 logG= -0.656887 Density= 3.416822 ETOT(band)= -1.566691 trlgG= -2.231078 logG= -0.656887 TDE= -4.399361 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037390 tlogG= -0.626912 logG= -0.664303 Density= 3.414310 ETOT(band)= -1.574549 trlgG= -2.245924 logG= -0.664303 TDE= -4.404715 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.037639 tlogG= -0.625750 logG= -0.663389 Density= 3.415773 ETOT(band)= -1.572388 trlgG= -2.245304 logG= -0.663389 TDE= -4.406218 logGD-logG0= -0.037554 tlogG= -0.619741 logG= -0.657295 Density= 3.415249 ETOT(band)= -1.568567 trlgG= -2.232812 logG= -0.657295 TDE= -4.399387 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037620 tlogG= -0.621692 logG= -0.659312 Density= 3.416216 ETOT(band)= -1.569087 trlgG= -2.235712 logG= -0.659312 TDE= -4.401069 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037661 tlogG= -0.619375 logG= -0.657036 Density= 3.416553 ETOT(band)= -1.566956 trlgG= -2.230917 logG= -0.657036 TDE= -4.398828 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037688 tlogG= -0.619590 logG= -0.657278 Density= 3.416974 ETOT(band)= -1.566866 trlgG= -2.230647 logG= -0.657278 TDE= -4.398665 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038014 tlogG= -0.612746 logG= -0.650760 Density= 3.419688 ETOT(band)= -1.559378 trlgG= -2.220498 logG= -0.650760 TDE= -4.397278 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037748 tlogG= -0.618761 logG= -0.656508 Density= 3.417026 ETOT(band)= -1.566135 trlgG= -2.230670 logG= -0.656508 TDE= -4.399500 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.037608 tlogG= -0.621981 logG= -0.659589 Density= 3.416327 ETOT(band)= -1.569280 trlgG= -2.235260 logG= -0.659589 TDE= -4.400432 logGD-logG0= -0.037490 tlogG= -0.621989 logG= -0.659479 Density= 3.414994 ETOT(band)= -1.570457 trlgG= -2.237236 logG= -0.659479 TDE= -4.401416 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037471 tlogG= -0.624931 logG= -0.662402 Density= 3.415023 ETOT(band)= -1.572526 trlgG= -2.241697 logG= -0.662402 TDE= -4.402978 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037547 tlogG= -0.624479 logG= -0.662026 Density= 3.415425 ETOT(band)= -1.571811 trlgG= -2.242031 logG= -0.662026 TDE= -4.404021 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.037828 tlogG= -0.613496 logG= -0.651324 Density= 3.418130 ETOT(band)= -1.561315 trlgG= -2.221405 logG= -0.651324 TDE= -4.396333 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037789 tlogG= -0.617175 logG= -0.654964 Density= 3.417924 ETOT(band)= -1.564319 trlgG= -2.226434 logG= -0.654964 TDE= -4.397552 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037512 tlogG= -0.626351 logG= -0.663862 Density= 3.415031 ETOT(band)= -1.573495 trlgG= -2.246008 logG= -0.663862 TDE= -4.405835 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038335 tlogG= -0.608980 logG= -0.647315 Density= 3.422559 ETOT(band)= -1.554072 trlgG= -2.213815 logG= -0.647315 TDE= -4.396414 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038176 tlogG= -0.609778 logG= -0.647954 Density= 3.421188 ETOT(band)= -1.555857 trlgG= -2.215394 logG= -0.647954 TDE= -4.396221 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.037698 tlogG= -0.618920 logG= -0.656618 Density= 3.416384 ETOT(band)= -1.566879 trlgG= -2.231394 logG= -0.656618 TDE= -4.399584 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.037943 tlogG= -0.612903 logG= -0.650846 Density= 3.418951 ETOT(band)= -1.560142 trlgG= -2.221225 logG= -0.650846 TDE= -4.397310 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038059 tlogG= -0.612280 logG= -0.650340 Density= 3.419762 ETOT(band)= -1.558945 trlgG= -2.220292 logG= -0.650340 TDE= -4.397554 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.037842 tlogG= -0.616433 logG= -0.654276 Density= 3.418034 ETOT(band)= -1.563496 trlgG= -2.226596 logG= -0.654276 TDE= -4.398493 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.037570 tlogG= -0.622389 logG= -0.659960 Density= 3.415590 ETOT(band)= -1.570144 trlgG= -2.237842 logG= -0.659960 TDE= -4.402034 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037599 tlogG= -0.617517 logG= -0.655116 Density= 3.416236 ETOT(band)= -1.566040 trlgG= -2.228091 logG= -0.655116 TDE= -4.397661 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037393 tlogG= -0.625075 logG= -0.662469 Density= 3.414387 ETOT(band)= -1.573201 trlgG= -2.242445 logG= -0.662469 TDE= -4.403134 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037622 tlogG= -0.619368 logG= -0.656990 Density= 3.416051 ETOT(band)= -1.567541 trlgG= -2.231986 logG= -0.656990 TDE= -4.399529 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037924 tlogG= -0.615006 logG= -0.652930 Density= 3.418503 ETOT(band)= -1.562064 trlgG= -2.224799 logG= -0.652930 TDE= -4.398429 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.037722 tlogG= -0.619795 logG= -0.657517 Density= 3.417477 ETOT(band)= -1.566709 trlgG= -2.230315 logG= -0.657517 TDE= -4.398511 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=121 logGD-logG0= -0.038020 tlogG= -0.610501 logG= -0.648521 Density= 3.419915 ETOT(band)= -1.557491 trlgG= -2.215986 logG= -0.648521 TDE= -4.395193 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037629 tlogG= -0.623999 logG= -0.661628 Density= 3.415865 ETOT(band)= -1.571037 trlgG= -2.241698 logG= -0.661628 TDE= -4.404450 logGD-logG0= -0.037813 tlogG= -0.616814 logG= -0.654627 Density= 3.417950 ETOT(band)= -1.563940 trlgG= -2.226722 logG= -0.654627 TDE= -4.398199 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037504 tlogG= -0.620004 logG= -0.657508 Density= 3.415226 ETOT(band)= -1.568812 trlgG= -2.232960 logG= -0.657508 TDE= -4.399303 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037914 tlogG= -0.613337 logG= -0.651251 Density= 3.418938 ETOT(band)= -1.560510 trlgG= -2.220635 logG= -0.651251 TDE= -4.396303 logGD-logG0= -0.037637 tlogG= -0.621359 logG= -0.658996 Density= 3.416173 ETOT(band)= -1.568797 trlgG= -2.235848 logG= -0.658996 TDE= -4.401485 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037651 tlogG= -0.621925 logG= -0.659576 Density= 3.416004 ETOT(band)= -1.569410 trlgG= -2.237504 logG= -0.659576 TDE= -4.402422 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.037743 tlogG= -0.616718 logG= -0.654462 Density= 3.416815 ETOT(band)= -1.564875 trlgG= -2.227843 logG= -0.654462 TDE= -4.398546 logGD-logG0= -0.037670 tlogG= -0.617132 logG= -0.654802 Density= 3.416547 ETOT(band)= -1.565457 trlgG= -2.228140 logG= -0.654802 TDE= -4.398280 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037421 tlogG= -0.622318 logG= -0.659739 Density= 3.414732 ETOT(band)= -1.570938 trlgG= -2.237187 logG= -0.659739 TDE= -4.400890 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=121 logGD-logG0= -0.038119 tlogG= -0.612138 logG= -0.650256 Density= 3.420515 ETOT(band)= -1.558174 trlgG= -2.219588 logG= -0.650256 TDE= -4.397555 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 Sum of eigenvalues= -1023.06910573672 eV TrLogG= -1457.40078980388 eV Ratio to renormalize= 0.999944519981 rho-rho_expected= 0.009099227975 nargs= 1 argi=dmft2.def 31) Finished k-point number 32 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 34) Finished k-point number 35 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 10) Finished k-point number 11 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 2) Finished k-point number 3 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.802468872176830 0.803659508705454 0.803646897935759 0.802047949924315 0.804186656203829 0.803600688932993 0.802763008684200 0.803527619759467 0.803749026133911 0.802679409543050 0.803728812952108 0.803652184617572 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.037614 tlogG= -0.621692 logG= -0.659306 Density= 3.416192 ETOT(band)= -1.569049 trlgG= -2.235668 logG= -0.659306 TDE= -4.401011 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037918 tlogG= -0.615006 logG= -0.652924 Density= 3.418478 ETOT(band)= -1.562027 trlgG= -2.224752 logG= -0.652924 TDE= -4.398368 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.037595 tlogG= -0.624101 logG= -0.661696 Density= 3.415464 ETOT(band)= -1.571461 trlgG= -2.242176 logG= -0.661696 TDE= -4.404527 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037455 tlogG= -0.620255 logG= -0.657710 Density= 3.415170 ETOT(band)= -1.569016 trlgG= -2.233133 logG= -0.657710 TDE= -4.399228 logGD-logG0= -0.037565 tlogG= -0.622390 logG= -0.659954 Density= 3.415566 ETOT(band)= -1.570106 trlgG= -2.237799 logG= -0.659954 TDE= -4.401977 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.037822 tlogG= -0.613496 logG= -0.651318 Density= 3.418105 ETOT(band)= -1.561278 trlgG= -2.221358 logG= -0.651318 TDE= -4.396271 logGD-logG0= -0.037829 tlogG= -0.615529 logG= -0.653358 Density= 3.417915 ETOT(band)= -1.562939 trlgG= -2.225389 logG= -0.653358 TDE= -4.398105 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037697 tlogG= -0.619184 logG= -0.656881 Density= 3.416798 ETOT(band)= -1.566654 trlgG= -2.231033 logG= -0.656881 TDE= -4.399303 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037744 tlogG= -0.616047 logG= -0.653791 Density= 3.417389 ETOT(band)= -1.563825 trlgG= -2.225511 logG= -0.653791 TDE= -4.397359 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037559 tlogG= -0.621613 logG= -0.659173 Density= 3.415236 ETOT(band)= -1.569886 trlgG= -2.237101 logG= -0.659173 TDE= -4.401787 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037633 tlogG= -0.625751 logG= -0.663384 Density= 3.415749 ETOT(band)= -1.572351 trlgG= -2.245261 logG= -0.663384 TDE= -4.406161 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.037385 tlogG= -0.626913 logG= -0.664298 Density= 3.414286 ETOT(band)= -1.574512 trlgG= -2.245882 logG= -0.664298 TDE= -4.404658 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.037652 tlogG= -0.619567 logG= -0.657219 Density= 3.416645 ETOT(band)= -1.567131 trlgG= -2.231108 logG= -0.657219 TDE= -4.398913 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038014 tlogG= -0.610501 logG= -0.648515 Density= 3.419889 ETOT(band)= -1.557454 trlgG= -2.215940 logG= -0.648515 TDE= -4.395131 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037624 tlogG= -0.623999 logG= -0.661623 Density= 3.415841 ETOT(band)= -1.571000 trlgG= -2.241656 logG= -0.661623 TDE= -4.404392 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037485 tlogG= -0.621989 logG= -0.659474 Density= 3.414971 ETOT(band)= -1.570419 trlgG= -2.237193 logG= -0.659474 TDE= -4.401358 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037937 tlogG= -0.612903 logG= -0.650840 Density= 3.418926 ETOT(band)= -1.560104 trlgG= -2.221178 logG= -0.650840 TDE= -4.397248 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037593 tlogG= -0.617517 logG= -0.655110 Density= 3.416212 ETOT(band)= -1.566002 trlgG= -2.228046 logG= -0.655110 TDE= -4.397602 logGD-logG0= -0.037488 tlogG= -0.622835 logG= -0.660324 Density= 3.415198 ETOT(band)= -1.570793 trlgG= -2.237924 logG= -0.660324 TDE= -4.401427 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037490 tlogG= -0.624608 logG= -0.662098 Density= 3.414910 ETOT(band)= -1.572337 trlgG= -2.242620 logG= -0.662098 TDE= -4.404111 logGD-logG0= -0.037466 tlogG= -0.624931 logG= -0.662397 Density= 3.414999 ETOT(band)= -1.572488 trlgG= -2.241655 logG= -0.662397 TDE= -4.402921 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037602 tlogG= -0.621981 logG= -0.659583 Density= 3.416304 ETOT(band)= -1.569242 trlgG= -2.235217 logG= -0.659583 TDE= -4.400376 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.037645 tlogG= -0.621926 logG= -0.659571 Density= 3.415981 ETOT(band)= -1.569372 trlgG= -2.237461 logG= -0.659571 TDE= -4.402365 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.037548 tlogG= -0.619741 logG= -0.657289 Density= 3.415225 ETOT(band)= -1.568529 trlgG= -2.232770 logG= -0.657289 TDE= -4.399331 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037837 tlogG= -0.616433 logG= -0.654270 Density= 3.418010 ETOT(band)= -1.563458 trlgG= -2.226550 logG= -0.654270 TDE= -4.398432 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038113 tlogG= -0.612138 logG= -0.650250 Density= 3.420490 ETOT(band)= -1.558137 trlgG= -2.219541 logG= -0.650250 TDE= -4.397494 logGD-logG0= -0.037506 tlogG= -0.626351 logG= -0.663857 Density= 3.415007 ETOT(band)= -1.573458 trlgG= -2.245966 logG= -0.663857 TDE= -4.405778 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.037541 tlogG= -0.624479 logG= -0.662020 Density= 3.415401 ETOT(band)= -1.571773 trlgG= -2.241988 logG= -0.662020 TDE= -4.403963 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.037541 tlogG= -0.619773 logG= -0.657314 Density= 3.415690 ETOT(band)= -1.568123 trlgG= -2.232177 logG= -0.657314 TDE= -4.399097 logGD-logG0= -0.038329 tlogG= -0.608980 logG= -0.647309 Density= 3.422533 ETOT(band)= -1.554036 trlgG= -2.213769 logG= -0.647309 TDE= -4.396352 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037783 tlogG= -0.617175 logG= -0.654958 Density= 3.417900 ETOT(band)= -1.564280 trlgG= -2.226389 logG= -0.654958 TDE= -4.397493 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037388 tlogG= -0.625076 logG= -0.662463 Density= 3.414363 ETOT(band)= -1.573164 trlgG= -2.242404 logG= -0.662463 TDE= -4.403078 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037415 tlogG= -0.622318 logG= -0.659733 Density= 3.414708 ETOT(band)= -1.570901 trlgG= -2.237146 logG= -0.659733 TDE= -4.400836 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.037716 tlogG= -0.619795 logG= -0.657511 Density= 3.417454 ETOT(band)= -1.566670 trlgG= -2.230273 logG= -0.657511 TDE= -4.398456 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.037631 tlogG= -0.621359 logG= -0.658990 Density= 3.416149 ETOT(band)= -1.568759 trlgG= -2.235804 logG= -0.658990 TDE= -4.401428 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038053 tlogG= -0.612280 logG= -0.650334 Density= 3.419736 ETOT(band)= -1.558908 trlgG= -2.220246 logG= -0.650334 TDE= -4.397492 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.037682 tlogG= -0.619590 logG= -0.657272 Density= 3.416950 ETOT(band)= -1.566828 trlgG= -2.230604 logG= -0.657272 TDE= -4.398609 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037742 tlogG= -0.618761 logG= -0.656503 Density= 3.417002 ETOT(band)= -1.566097 trlgG= -2.230625 logG= -0.656503 TDE= -4.399441 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.037499 tlogG= -0.620004 logG= -0.657503 Density= 3.415203 ETOT(band)= -1.568774 trlgG= -2.232918 logG= -0.657503 TDE= -4.399247 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037738 tlogG= -0.616718 logG= -0.654456 Density= 3.416791 ETOT(band)= -1.564837 trlgG= -2.227796 logG= -0.654456 TDE= -4.398485 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037617 tlogG= -0.619368 logG= -0.656984 Density= 3.416027 ETOT(band)= -1.567504 trlgG= -2.231943 logG= -0.656984 TDE= -4.399472 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038170 tlogG= -0.609778 logG= -0.647947 Density= 3.421161 ETOT(band)= -1.555821 trlgG= -2.215348 logG= -0.647947 TDE= -4.396159 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.037908 tlogG= -0.613337 logG= -0.651245 Density= 3.418912 ETOT(band)= -1.560473 trlgG= -2.220588 logG= -0.651245 TDE= -4.396242 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037655 tlogG= -0.619375 logG= -0.657031 Density= 3.416529 ETOT(band)= -1.566917 trlgG= -2.230873 logG= -0.657031 TDE= -4.398770 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038008 tlogG= -0.612746 logG= -0.650754 Density= 3.419663 ETOT(band)= -1.559341 trlgG= -2.220451 logG= -0.650754 TDE= -4.397217 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037664 tlogG= -0.617132 logG= -0.654797 Density= 3.416523 ETOT(band)= -1.565419 trlgG= -2.228093 logG= -0.654797 TDE= -4.398220 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037807 tlogG= -0.616813 logG= -0.654621 Density= 3.417926 ETOT(band)= -1.563902 trlgG= -2.226676 logG= -0.654621 TDE= -4.398139 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037692 tlogG= -0.618920 logG= -0.656613 Density= 3.416360 ETOT(band)= -1.566841 trlgG= -2.231350 logG= -0.656613 TDE= -4.399526 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 Sum of eigenvalues= -1023.04458482687 eV TrLogG= -1457.35890445861 eV Ratio to renormalize= 0.999951604431 rho-rho_expected= 0.007937257386 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 21) Finished k-point number 22 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 8) Finished k-point number 9 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.802468892225188 0.803671408246530 0.803644940188326 0.802047835704510 0.804198403747267 0.803598867352374 0.802762813515895 0.803539573848334 0.803747129769991 0.802679163102362 0.803740649271310 0.803650331285132 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.037616 tlogG= -0.621719 logG= -0.659335 Density= 3.416201 ETOT(band)= -1.569107 trlgG= -2.235754 logG= -0.659335 TDE= -4.401076 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037561 tlogG= -0.621640 logG= -0.659201 Density= 3.415244 ETOT(band)= -1.569944 trlgG= -2.237188 logG= -0.659201 TDE= -4.401852 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037594 tlogG= -0.617544 logG= -0.655139 Density= 3.416221 ETOT(band)= -1.566060 trlgG= -2.228134 logG= -0.655139 TDE= -4.397669 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037543 tlogG= -0.624506 logG= -0.662049 Density= 3.415410 ETOT(band)= -1.571831 trlgG= -2.242075 logG= -0.662049 TDE= -4.404028 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.037604 tlogG= -0.622008 logG= -0.659612 Density= 3.416312 ETOT(band)= -1.569300 trlgG= -2.235303 logG= -0.659612 TDE= -4.400440 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.037746 tlogG= -0.616074 logG= -0.653820 Density= 3.417399 ETOT(band)= -1.563882 trlgG= -2.225599 logG= -0.653820 TDE= -4.397426 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037653 tlogG= -0.619595 logG= -0.657248 Density= 3.416654 ETOT(band)= -1.567188 trlgG= -2.231195 logG= -0.657248 TDE= -4.398978 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037625 tlogG= -0.624026 logG= -0.661652 Density= 3.415850 ETOT(band)= -1.571058 trlgG= -2.241742 logG= -0.661652 TDE= -4.404457 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037490 tlogG= -0.622862 logG= -0.660353 Density= 3.415206 ETOT(band)= -1.570851 trlgG= -2.238010 logG= -0.660353 TDE= -4.401492 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037386 tlogG= -0.626940 logG= -0.664326 Density= 3.414295 ETOT(band)= -1.574570 trlgG= -2.245968 logG= -0.664326 TDE= -4.404723 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.037500 tlogG= -0.620031 logG= -0.657531 Density= 3.415211 ETOT(band)= -1.568833 trlgG= -2.233004 logG= -0.657531 TDE= -4.399311 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037830 tlogG= -0.615557 logG= -0.653387 Density= 3.417924 ETOT(band)= -1.562997 trlgG= -2.225478 logG= -0.653387 TDE= -4.398173 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037785 tlogG= -0.617202 logG= -0.654987 Density= 3.417910 ETOT(band)= -1.564338 trlgG= -2.226476 logG= -0.654987 TDE= -4.397559 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037467 tlogG= -0.624958 logG= -0.662425 Density= 3.415008 ETOT(band)= -1.572546 trlgG= -2.241741 logG= -0.662425 TDE= -4.402986 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037596 tlogG= -0.624128 logG= -0.661724 Density= 3.415472 ETOT(band)= -1.571519 trlgG= -2.242263 logG= -0.661724 TDE= -4.404592 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037699 tlogG= -0.619211 logG= -0.656910 Density= 3.416807 ETOT(band)= -1.566711 trlgG= -2.231121 logG= -0.656910 TDE= -4.399368 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037718 tlogG= -0.619822 logG= -0.657539 Density= 3.417463 ETOT(band)= -1.566728 trlgG= -2.230359 logG= -0.657539 TDE= -4.398520 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.037743 tlogG= -0.618788 logG= -0.656532 Density= 3.417010 ETOT(band)= -1.566155 trlgG= -2.230713 logG= -0.656532 TDE= -4.399507 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038171 tlogG= -0.609805 logG= -0.647977 Density= 3.421173 ETOT(band)= -1.555877 trlgG= -2.215436 logG= -0.647977 TDE= -4.396227 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.037550 tlogG= -0.619768 logG= -0.657318 Density= 3.415233 ETOT(band)= -1.568588 trlgG= -2.232857 logG= -0.657318 TDE= -4.399396 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037824 tlogG= -0.613523 logG= -0.651347 Density= 3.418115 ETOT(band)= -1.561335 trlgG= -2.221447 logG= -0.651347 TDE= -4.396339 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037507 tlogG= -0.626378 logG= -0.663886 Density= 3.415015 ETOT(band)= -1.573516 trlgG= -2.246052 logG= -0.663886 TDE= -4.405843 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.037542 tlogG= -0.619800 logG= -0.657342 Density= 3.415698 ETOT(band)= -1.568181 trlgG= -2.232263 logG= -0.657342 TDE= -4.399162 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037694 tlogG= -0.618947 logG= -0.656641 Density= 3.416368 ETOT(band)= -1.566899 trlgG= -2.231437 logG= -0.656641 TDE= -4.399591 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.037566 tlogG= -0.622417 logG= -0.659983 Density= 3.415575 ETOT(band)= -1.570164 trlgG= -2.237886 logG= -0.659983 TDE= -4.402042 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037920 tlogG= -0.615033 logG= -0.652953 Density= 3.418488 ETOT(band)= -1.562085 trlgG= -2.224841 logG= -0.652953 TDE= -4.398436 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.037646 tlogG= -0.621953 logG= -0.659599 Density= 3.415989 ETOT(band)= -1.569431 trlgG= -2.237548 logG= -0.659599 TDE= -4.402430 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038330 tlogG= -0.609008 logG= -0.647338 Density= 3.422545 ETOT(band)= -1.554092 trlgG= -2.213856 logG= -0.647338 TDE= -4.396420 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.037739 tlogG= -0.616746 logG= -0.654485 Density= 3.416800 ETOT(band)= -1.564895 trlgG= -2.227885 logG= -0.654485 TDE= -4.398552 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037809 tlogG= -0.616841 logG= -0.654650 Density= 3.417936 ETOT(band)= -1.563959 trlgG= -2.226764 logG= -0.654650 TDE= -4.398205 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037634 tlogG= -0.625778 logG= -0.663412 Density= 3.415757 ETOT(band)= -1.572409 trlgG= -2.245348 logG= -0.663412 TDE= -4.406226 logGD-logG0= -0.037838 tlogG= -0.616461 logG= -0.654299 Density= 3.418019 ETOT(band)= -1.563516 trlgG= -2.226638 logG= -0.654299 TDE= -4.398499 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.037910 tlogG= -0.613364 logG= -0.651275 Density= 3.418923 ETOT(band)= -1.560530 trlgG= -2.220677 logG= -0.651275 TDE= -4.396310 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038055 tlogG= -0.612308 logG= -0.650363 Density= 3.419747 ETOT(band)= -1.558965 trlgG= -2.220335 logG= -0.650363 TDE= -4.397560 logGD-logG0= -0.037486 tlogG= -0.622016 logG= -0.659503 Density= 3.414979 ETOT(band)= -1.570478 trlgG= -2.237280 logG= -0.659503 TDE= -4.401423 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037457 tlogG= -0.620282 logG= -0.657739 Density= 3.415178 ETOT(band)= -1.569074 trlgG= -2.233219 logG= -0.657739 TDE= -4.399292 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.037683 tlogG= -0.619617 logG= -0.657301 Density= 3.416959 ETOT(band)= -1.566886 trlgG= -2.230690 logG= -0.657301 TDE= -4.398673 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037657 tlogG= -0.619403 logG= -0.657060 Density= 3.416537 ETOT(band)= -1.566976 trlgG= -2.230960 logG= -0.657060 TDE= -4.398835 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038016 tlogG= -0.610528 logG= -0.648544 Density= 3.419901 ETOT(band)= -1.557510 trlgG= -2.216028 logG= -0.648544 TDE= -4.395199 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037492 tlogG= -0.624635 logG= -0.662127 Density= 3.414918 ETOT(band)= -1.572395 trlgG= -2.242706 logG= -0.662127 TDE= -4.404176 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037389 tlogG= -0.625103 logG= -0.662492 Density= 3.414371 ETOT(band)= -1.573222 trlgG= -2.242490 logG= -0.662492 TDE= -4.403142 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037666 tlogG= -0.617160 logG= -0.654826 Density= 3.416531 ETOT(band)= -1.565477 trlgG= -2.228182 logG= -0.654826 TDE= -4.398287 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037939 tlogG= -0.612930 logG= -0.650869 Density= 3.418936 ETOT(band)= -1.560162 trlgG= -2.221267 logG= -0.650869 TDE= -4.397316 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037633 tlogG= -0.621386 logG= -0.659019 Density= 3.416157 ETOT(band)= -1.568817 trlgG= -2.235891 logG= -0.659019 TDE= -4.401493 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038115 tlogG= -0.612165 logG= -0.650280 Density= 3.420500 ETOT(band)= -1.558194 trlgG= -2.219629 logG= -0.650280 TDE= -4.397562 logGD-logG0= -0.037618 tlogG= -0.619395 logG= -0.657013 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 Density= 3.416036 ETOT(band)= -1.567562 trlgG= -2.232030 logG= -0.657013 TDE= -4.399537 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.037417 tlogG= -0.622345 logG= -0.659762 Density= 3.414716 ETOT(band)= -1.570959 trlgG= -2.237232 logG= -0.659762 TDE= -4.400900 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.038010 tlogG= -0.612773 logG= -0.650783 Density= 3.419673 ETOT(band)= -1.559398 trlgG= -2.220540 logG= -0.650783 TDE= -4.397285 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 Sum of eigenvalues= -1023.08231540756 eV TrLogG= -1457.42072808414 eV Ratio to renormalize= 0.999948969376 rho-rho_expected= 0.008369449359 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 7) Finished k-point number 8 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 37) Finished k-point number 38 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 21) Finished k-point number 22 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.802469324885824 0.803672389042217 0.803644249768627 0.802048268873547 0.804199363470163 0.803598182560399 0.802763234403784 0.803540566849176 0.803746439296658 0.802679587415432 0.803741619649118 0.803649647555182 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.037616 tlogG= -0.621714 logG= -0.659330 Density= 3.416200 ETOT(band)= -1.569098 trlgG= -2.235741 logG= -0.659330 TDE= -4.401066 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037838 tlogG= -0.616456 logG= -0.654294 Density= 3.418018 ETOT(band)= -1.563507 trlgG= -2.226624 logG= -0.654294 TDE= -4.398489 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.037550 tlogG= -0.619764 logG= -0.657313 Density= 3.415232 ETOT(band)= -1.568579 trlgG= -2.232843 logG= -0.657313 TDE= -4.399386 36) Finished k-point 37 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037490 tlogG= -0.622858 logG= -0.660348 Density= 3.415205 ETOT(band)= -1.570842 trlgG= -2.237996 logG= -0.660348 TDE= -4.401482 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037457 tlogG= -0.620278 logG= -0.657734 Density= 3.415177 ETOT(band)= -1.569065 trlgG= -2.233206 logG= -0.657734 TDE= -4.399282 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.037561 tlogG= -0.621636 logG= -0.659197 Density= 3.415243 ETOT(band)= -1.569935 trlgG= -2.237174 logG= -0.659197 TDE= -4.401842 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037386 tlogG= -0.626935 logG= -0.664321 Density= 3.414294 ETOT(band)= -1.574561 trlgG= -2.245954 logG= -0.664321 TDE= -4.404713 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.037604 tlogG= -0.622004 logG= -0.659607 Density= 3.416311 ETOT(band)= -1.569291 trlgG= -2.235290 logG= -0.659607 TDE= -4.400431 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038114 tlogG= -0.612160 logG= -0.650275 Density= 3.420499 ETOT(band)= -1.558185 trlgG= -2.219616 logG= -0.650275 TDE= -4.397552 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037566 tlogG= -0.622412 logG= -0.659978 Density= 3.415574 ETOT(band)= -1.570155 trlgG= -2.237872 logG= -0.659978 TDE= -4.402032 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037746 tlogG= -0.616070 logG= -0.653816 Density= 3.417398 ETOT(band)= -1.563873 trlgG= -2.225585 logG= -0.653816 TDE= -4.397416 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038016 tlogG= -0.610524 logG= -0.648540 Density= 3.419900 ETOT(band)= -1.557501 trlgG= -2.216014 logG= -0.648540 TDE= -4.395189 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037699 tlogG= -0.619207 logG= -0.656905 Density= 3.416806 ETOT(band)= -1.566702 trlgG= -2.231107 logG= -0.656905 TDE= -4.399359 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037389 tlogG= -0.625098 logG= -0.662487 Density= 3.414371 ETOT(band)= -1.573213 trlgG= -2.242476 logG= -0.662487 TDE= -4.403132 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037743 tlogG= -0.618784 logG= -0.656527 Density= 3.417009 ETOT(band)= -1.566146 trlgG= -2.230699 logG= -0.656527 TDE= -4.399497 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.037542 tlogG= -0.619796 logG= -0.657338 Density= 3.415697 ETOT(band)= -1.568172 trlgG= -2.232249 logG= -0.657338 TDE= -4.399152 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037739 tlogG= -0.616741 logG= -0.654480 Density= 3.416799 ETOT(band)= -1.564886 trlgG= -2.227871 logG= -0.654480 TDE= -4.398542 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037596 tlogG= -0.624123 logG= -0.661720 Density= 3.415471 ETOT(band)= -1.571510 trlgG= -2.242249 logG= -0.661720 TDE= -4.404582 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037939 tlogG= -0.612926 logG= -0.650864 Density= 3.418935 ETOT(band)= -1.560153 trlgG= -2.221253 logG= -0.650864 TDE= -4.397306 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037646 tlogG= -0.621948 logG= -0.659595 Density= 3.415988 ETOT(band)= -1.569422 trlgG= -2.237534 logG= -0.659595 TDE= -4.402420 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.037467 tlogG= -0.624953 logG= -0.662421 Density= 3.415007 ETOT(band)= -1.572537 trlgG= -2.241727 logG= -0.662421 TDE= -4.402976 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037625 tlogG= -0.624022 logG= -0.661647 Density= 3.415849 ETOT(band)= -1.571049 trlgG= -2.241728 logG= -0.661647 TDE= -4.404447 logGD-logG0= -0.037500 tlogG= -0.620027 logG= -0.657527 Density= 3.415210 ETOT(band)= -1.568824 trlgG= -2.232991 logG= -0.657527 TDE= -4.399301 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037653 tlogG= -0.619590 logG= -0.657243 Density= 3.416653 ETOT(band)= -1.567179 trlgG= -2.231181 logG= -0.657243 TDE= -4.398968 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037486 tlogG= -0.622012 logG= -0.659498 Density= 3.414978 ETOT(band)= -1.570469 trlgG= -2.237266 logG= -0.659498 TDE= -4.401413 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038171 tlogG= -0.609801 logG= -0.647972 Density= 3.421172 ETOT(band)= -1.555868 trlgG= -2.215422 logG= -0.647972 TDE= -4.396217 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.037830 tlogG= -0.615552 logG= -0.653382 Density= 3.417923 ETOT(band)= -1.562988 trlgG= -2.225464 logG= -0.653382 TDE= -4.398163 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037594 tlogG= -0.617540 logG= -0.655134 Density= 3.416220 ETOT(band)= -1.566051 trlgG= -2.228120 logG= -0.655134 TDE= -4.397659 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037634 tlogG= -0.625773 logG= -0.663407 Density= 3.415756 ETOT(band)= -1.572400 trlgG= -2.245334 logG= -0.663407 TDE= -4.406216 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.037694 tlogG= -0.618943 logG= -0.656637 Density= 3.416368 ETOT(band)= -1.566890 trlgG= -2.231423 logG= -0.656637 TDE= -4.399581 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.037824 tlogG= -0.613518 logG= -0.651342 Density= 3.418114 ETOT(band)= -1.561326 trlgG= -2.221433 logG= -0.651342 TDE= -4.396329 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037507 tlogG= -0.626374 logG= -0.663881 Density= 3.415014 ETOT(band)= -1.573507 trlgG= -2.246038 logG= -0.663881 TDE= -4.405833 logGD-logG0= -0.037492 tlogG= -0.624630 logG= -0.662122 Density= 3.414917 ETOT(band)= -1.572386 trlgG= -2.242692 logG= -0.662122 TDE= -4.404166 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037718 tlogG= -0.619817 logG= -0.657535 Density= 3.417462 ETOT(band)= -1.566719 trlgG= -2.230345 logG= -0.657535 TDE= -4.398510 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.037633 tlogG= -0.621381 logG= -0.659014 Density= 3.416156 ETOT(band)= -1.568808 trlgG= -2.235877 logG= -0.659014 TDE= -4.401483 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037910 tlogG= -0.613360 logG= -0.651270 Density= 3.418922 ETOT(band)= -1.560521 trlgG= -2.220663 logG= -0.651270 TDE= -4.396300 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037809 tlogG= -0.616836 logG= -0.654645 Density= 3.417935 ETOT(band)= -1.563950 trlgG= -2.226750 logG= -0.654645 TDE= -4.398195 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037920 tlogG= -0.615029 logG= -0.652949 Density= 3.418487 ETOT(band)= -1.562076 trlgG= -2.224827 logG= -0.652949 TDE= -4.398425 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038010 tlogG= -0.612769 logG= -0.650778 Density= 3.419672 ETOT(band)= -1.559389 trlgG= -2.220526 logG= -0.650778 TDE= -4.397275 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038330 tlogG= -0.609003 logG= -0.647333 Density= 3.422543 ETOT(band)= -1.554083 trlgG= -2.213842 logG= -0.647333 TDE= -4.396410 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.037666 tlogG= -0.617155 logG= -0.654821 Density= 3.416530 ETOT(band)= -1.565468 trlgG= -2.228168 logG= -0.654821 TDE= -4.398277 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037657 tlogG= -0.619398 logG= -0.657055 Density= 3.416536 ETOT(band)= -1.566967 trlgG= -2.230946 logG= -0.657055 TDE= -4.398825 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037618 tlogG= -0.619390 logG= -0.657008 Density= 3.416035 ETOT(band)= -1.567553 trlgG= -2.232016 logG= -0.657008 TDE= -4.399527 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.037417 tlogG= -0.622340 logG= -0.659757 Density= 3.414715 ETOT(band)= -1.570950 trlgG= -2.237219 logG= -0.659757 TDE= -4.400890 logGD-logG0= -0.037542 tlogG= -0.624502 logG= -0.662044 Density= 3.415409 ETOT(band)= -1.571822 trlgG= -2.242061 logG= -0.662044 TDE= -4.404018 45) Finished k-point 46 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038055 tlogG= -0.612303 logG= -0.650358 Density= 3.419745 ETOT(band)= -1.558956 trlgG= -2.220321 logG= -0.650358 TDE= -4.397550 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.037785 tlogG= -0.617197 logG= -0.654982 Density= 3.417909 ETOT(band)= -1.564329 trlgG= -2.226462 logG= -0.654982 TDE= -4.397549 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037683 tlogG= -0.619613 logG= -0.657296 Density= 3.416958 ETOT(band)= -1.566877 trlgG= -2.230676 logG= -0.657296 TDE= -4.398663 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Sum of eigenvalues= -1023.07640354585 eV TrLogG= -1457.41111886693 eV Ratio to renormalize= 0.999949247254 rho-rho_expected= 0.008323872845 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 24) Finished k-point number 25 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.801874728341313 0.803263280082928 0.803191705684974 0.801447947901536 0.803791602720753 0.803149903572187 0.802170450157918 0.803129177831567 0.803296451281462 0.802086495631546 0.803331279353480 0.803198235560255 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.037525 tlogG= -0.626021 logG= -0.663546 Density= 3.415334 ETOT(band)= -1.572185 trlgG= -2.245248 logG= -0.663546 TDE= -4.405642 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.037486 tlogG= -0.617768 logG= -0.655254 Density= 3.415793 ETOT(band)= -1.565823 trlgG= -2.227999 logG= -0.655254 TDE= -4.397064 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037359 tlogG= -0.625191 logG= -0.662551 Density= 3.414585 ETOT(band)= -1.572315 trlgG= -2.241647 logG= -0.662551 TDE= -4.402417 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037611 tlogG= -0.620041 logG= -0.657652 Density= 3.417056 ETOT(band)= -1.566470 trlgG= -2.230268 logG= -0.657652 TDE= -4.397980 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.037278 tlogG= -0.627178 logG= -0.664456 Density= 3.413866 ETOT(band)= -1.574348 trlgG= -2.245871 logG= -0.664456 TDE= -4.404142 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.037496 tlogG= -0.622233 logG= -0.659730 Density= 3.415899 ETOT(band)= -1.569053 trlgG= -2.235210 logG= -0.659730 TDE= -4.399887 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.037378 tlogG= -0.622247 logG= -0.659624 Density= 3.414554 ETOT(band)= -1.570245 trlgG= -2.237162 logG= -0.659624 TDE= -4.400833 logGD-logG0= -0.037382 tlogG= -0.623093 logG= -0.660475 Density= 3.414782 ETOT(band)= -1.570619 trlgG= -2.237931 logG= -0.660475 TDE= -4.400939 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037434 tlogG= -0.624742 logG= -0.662176 Density= 3.414987 ETOT(band)= -1.571601 trlgG= -2.241963 logG= -0.662176 TDE= -4.403440 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.037721 tlogG= -0.615784 logG= -0.653505 Density= 3.417490 ETOT(band)= -1.562766 trlgG= -2.225303 logG= -0.653505 TDE= -4.397521 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037802 tlogG= -0.613587 logG= -0.651389 Density= 3.418489 ETOT(band)= -1.560294 trlgG= -2.220503 logG= -0.651389 TDE= -4.395662 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037309 tlogG= -0.622573 logG= -0.659882 Density= 3.414292 ETOT(band)= -1.570724 trlgG= -2.237166 logG= -0.659882 TDE= -4.400364 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.037585 tlogG= -0.619179 logG= -0.656764 Density= 3.415939 ETOT(band)= -1.566670 trlgG= -2.231324 logG= -0.656764 TDE= -4.399000 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.037829 tlogG= -0.613157 logG= -0.650986 Density= 3.418494 ETOT(band)= -1.559935 trlgG= -2.221093 logG= -0.650986 TDE= -4.396661 logGD-logG0= -0.037576 tlogG= -0.619839 logG= -0.657415 Density= 3.416544 ETOT(band)= -1.566637 trlgG= -2.230586 logG= -0.657415 TDE= -4.398110 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037281 tlogG= -0.625337 logG= -0.662618 Density= 3.413945 ETOT(band)= -1.572995 trlgG= -2.242410 logG= -0.662618 TDE= -4.402583 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.037442 tlogG= -0.619997 logG= -0.657439 Density= 3.414808 ETOT(band)= -1.568354 trlgG= -2.232763 logG= -0.657439 TDE= -4.398829 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037901 tlogG= -0.612998 logG= -0.650899 Density= 3.419235 ETOT(band)= -1.559167 trlgG= -2.220364 logG= -0.650899 TDE= -4.396630 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037508 tlogG= -0.621947 logG= -0.659455 Density= 3.415782 ETOT(band)= -1.568866 trlgG= -2.235629 logG= -0.659455 TDE= -4.400484 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.037434 tlogG= -0.620027 logG= -0.657461 Density= 3.415272 ETOT(band)= -1.567946 trlgG= -2.232165 logG= -0.657461 TDE= -4.398592 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037383 tlogG= -0.624871 logG= -0.662254 Density= 3.414492 ETOT(band)= -1.572168 trlgG= -2.242598 logG= -0.662254 TDE= -4.403587 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037458 tlogG= -0.622650 logG= -0.660108 Density= 3.415150 ETOT(band)= -1.569934 trlgG= -2.237775 logG= -0.660108 TDE= -4.401455 logGD-logG0= -0.037591 tlogG= -0.619439 logG= -0.657030 Density= 3.416382 ETOT(band)= -1.566475 trlgG= -2.230992 logG= -0.657030 TDE= -4.398769 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.037945 tlogG= -0.612536 logG= -0.650481 Density= 3.419302 ETOT(band)= -1.558742 trlgG= -2.220167 logG= -0.650481 TDE= -4.396907 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.037452 tlogG= -0.621873 logG= -0.659326 Density= 3.414819 ETOT(band)= -1.569714 trlgG= -2.237071 logG= -0.659326 TDE= -4.401260 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037701 tlogG= -0.617064 logG= -0.654765 Density= 3.417512 ETOT(band)= -1.563717 trlgG= -2.226599 logG= -0.654765 TDE= -4.397575 logGD-logG0= -0.037907 tlogG= -0.610753 logG= -0.648659 Density= 3.419453 ETOT(band)= -1.557285 trlgG= -2.215856 logG= -0.648659 TDE= -4.394542 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037545 tlogG= -0.619820 logG= -0.657365 Density= 3.416233 ETOT(band)= -1.566947 trlgG= -2.231074 logG= -0.657365 TDE= -4.398393 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037487 tlogG= -0.624367 logG= -0.661854 Density= 3.415048 ETOT(band)= -1.571292 trlgG= -2.242155 logG= -0.661854 TDE= -4.404005 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037630 tlogG= -0.616974 logG= -0.654605 Density= 3.416367 ETOT(band)= -1.564665 trlgG= -2.227721 logG= -0.654605 TDE= -4.397911 logGD-logG0= -0.037811 tlogG= -0.615263 logG= -0.653074 Density= 3.418050 ETOT(band)= -1.561858 trlgG= -2.224672 logG= -0.653074 TDE= -4.397784 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.037715 tlogG= -0.613747 logG= -0.651462 Density= 3.417676 ETOT(band)= -1.561105 trlgG= -2.221280 logG= -0.651462 TDE= -4.395695 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037638 tlogG= -0.616299 logG= -0.653937 Density= 3.416968 ETOT(band)= -1.563647 trlgG= -2.225452 logG= -0.653937 TDE= -4.396806 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038005 tlogG= -0.612393 logG= -0.650397 Density= 3.420057 ETOT(band)= -1.557968 trlgG= -2.219461 logG= -0.650397 TDE= -4.396909 logGD-logG0= -0.038219 tlogG= -0.609236 logG= -0.647456 Density= 3.422093 ETOT(band)= -1.553871 trlgG= -2.213694 logG= -0.647456 TDE= -4.395767 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=118 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.037635 tlogG= -0.619018 logG= -0.656653 Density= 3.416582 ETOT(band)= -1.565924 trlgG= -2.230576 logG= -0.656653 TDE= -4.398894 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038061 tlogG= -0.610032 logG= -0.648093 Density= 3.420722 ETOT(band)= -1.555655 trlgG= -2.215269 logG= -0.648093 TDE= -4.395571 logGD-logG0= -0.037349 tlogG= -0.620505 logG= -0.657854 Density= 3.414757 ETOT(band)= -1.568834 trlgG= -2.233162 logG= -0.657854 TDE= -4.398770 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.037516 tlogG= -0.624264 logG= -0.661781 Density= 3.415426 ETOT(band)= -1.570829 trlgG= -2.241634 logG= -0.661781 TDE= -4.403870 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037392 tlogG= -0.620257 logG= -0.657649 Density= 3.414788 ETOT(band)= -1.568595 trlgG= -2.232913 logG= -0.657649 TDE= -4.398752 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037537 tlogG= -0.622189 logG= -0.659726 Density= 3.415563 ETOT(band)= -1.569202 trlgG= -2.237438 logG= -0.659726 TDE= -4.401841 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.037510 tlogG= -0.619624 logG= -0.657134 Density= 3.415608 ETOT(band)= -1.567329 trlgG= -2.231927 logG= -0.657134 TDE= -4.398960 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037678 tlogG= -0.617423 logG= -0.655100 Density= 3.417493 ETOT(band)= -1.564089 trlgG= -2.226330 logG= -0.655100 TDE= -4.396954 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037525 tlogG= -0.621617 logG= -0.659142 Density= 3.415733 ETOT(band)= -1.568583 trlgG= -2.235772 logG= -0.659142 TDE= -4.400901 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037730 tlogG= -0.616687 logG= -0.654417 Density= 3.417587 ETOT(band)= -1.563282 trlgG= -2.226479 logG= -0.654417 TDE= -4.397865 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037549 tlogG= -0.619628 logG= -0.657177 Density= 3.416113 ETOT(band)= -1.566737 trlgG= -2.230843 logG= -0.657177 TDE= -4.398250 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037399 tlogG= -0.626619 logG= -0.664017 Density= 3.414589 ETOT(band)= -1.573293 trlgG= -2.245952 logG= -0.664017 TDE= -4.405258 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.037558 tlogG= -0.617385 logG= -0.654943 Density= 3.416101 ETOT(band)= -1.565243 trlgG= -2.228018 logG= -0.654943 TDE= -4.397649 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1022.93023933317 eV TrLogG= -1457.10712777546 eV Ratio to renormalize= 1.000074328338 rho-rho_expected=-0.012188941495 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 25) Finished k-point number 26 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 37) Finished k-point number 38 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 29) Finished k-point number 30 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.801767339299820 0.803165747047194 0.803097851372145 0.801340125641921 0.803694229257203 0.803056492998723 0.802063800216034 0.803031513103851 0.803202560204240 0.801979765843544 0.803233559350179 0.803104329019200 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.037612 tlogG= -0.619966 logG= -0.657579 Density= 3.416074 ETOT(band)= -1.566926 trlgG= -2.231581 logG= -0.657579 TDE= -4.398555 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038094 tlogG= -0.612373 logG= -0.650467 Density= 3.419593 ETOT(band)= -1.557833 trlgG= -2.219611 logG= -0.650467 TDE= -4.396606 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.037620 tlogG= -0.621842 logG= -0.659463 Density= 3.415961 ETOT(band)= -1.568378 trlgG= -2.235981 logG= -0.659463 TDE= -4.400977 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037784 tlogG= -0.618993 logG= -0.656777 Density= 3.417323 ETOT(band)= -1.564890 trlgG= -2.229798 logG= -0.656777 TDE= -4.398606 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.037655 tlogG= -0.617739 logG= -0.655394 Density= 3.417015 ETOT(band)= -1.564430 trlgG= -2.226843 logG= -0.655394 TDE= -4.396779 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037705 tlogG= -0.622202 logG= -0.659908 Density= 3.417356 ETOT(band)= -1.567515 trlgG= -2.233912 logG= -0.659908 TDE= -4.399616 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.037674 tlogG= -0.619595 logG= -0.657269 Density= 3.416691 ETOT(band)= -1.566039 trlgG= -2.230889 logG= -0.657269 TDE= -4.398682 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037573 tlogG= -0.620225 logG= -0.657798 Density= 3.416207 ETOT(band)= -1.567054 trlgG= -2.231616 logG= -0.657798 TDE= -4.398479 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037683 tlogG= -0.625989 logG= -0.663671 Density= 3.416101 ETOT(band)= -1.571130 trlgG= -2.244458 logG= -0.663671 TDE= -4.405361 logGD-logG0= -0.037698 tlogG= -0.621917 logG= -0.659615 Density= 3.417040 ETOT(band)= -1.567463 trlgG= -2.234467 logG= -0.659615 TDE= -4.400203 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.037792 tlogG= -0.616275 logG= -0.654067 Density= 3.417861 ETOT(band)= -1.562505 trlgG= -2.224551 logG= -0.654067 TDE= -4.396514 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037759 tlogG= -0.619412 logG= -0.657171 Density= 3.417388 ETOT(band)= -1.565253 trlgG= -2.230018 logG= -0.657171 TDE= -4.398485 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037561 tlogG= -0.624839 logG= -0.662400 Density= 3.415729 ETOT(band)= -1.570764 trlgG= -2.241440 logG= -0.662400 TDE= -4.403306 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037733 tlogG= -0.619792 logG= -0.657524 Density= 3.417493 ETOT(band)= -1.565544 trlgG= -2.229913 logG= -0.657524 TDE= -4.398114 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037473 tlogG= -0.627145 logG= -0.664617 Density= 3.415365 ETOT(band)= -1.572752 trlgG= -2.244514 logG= -0.664617 TDE= -4.403862 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=126 logGD-logG0= -0.037613 tlogG= -0.619997 logG= -0.657610 Density= 3.416620 ETOT(band)= -1.566461 trlgG= -2.230924 logG= -0.657610 TDE= -4.398317 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037734 tlogG= -0.619151 logG= -0.656886 Density= 3.416776 ETOT(band)= -1.565560 trlgG= -2.230472 logG= -0.656886 TDE= -4.398719 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.037941 tlogG= -0.613135 logG= -0.651076 Density= 3.418628 ETOT(band)= -1.559352 trlgG= -2.220769 logG= -0.651076 TDE= -4.396357 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038037 tlogG= -0.612515 logG= -0.650553 Density= 3.419014 ETOT(band)= -1.558473 trlgG= -2.220173 logG= -0.650553 TDE= -4.396604 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.037616 tlogG= -0.624710 logG= -0.662326 Density= 3.416180 ETOT(band)= -1.570236 trlgG= -2.240845 logG= -0.662326 TDE= -4.403159 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038001 tlogG= -0.610737 logG= -0.648738 Density= 3.419418 ETOT(band)= -1.556818 trlgG= -2.215661 logG= -0.648738 TDE= -4.394239 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037649 tlogG= -0.624335 logG= -0.661985 Density= 3.415980 ETOT(band)= -1.570114 trlgG= -2.241234 logG= -0.661985 TDE= -4.403723 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037844 tlogG= -0.613726 logG= -0.651570 Density= 3.418244 ETOT(band)= -1.560196 trlgG= -2.220620 logG= -0.651570 TDE= -4.395396 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037713 tlogG= -0.617358 logG= -0.655070 Density= 3.417068 ETOT(band)= -1.564041 trlgG= -2.227051 logG= -0.655070 TDE= -4.397354 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037858 tlogG= -0.615760 logG= -0.653618 Density= 3.418036 ETOT(band)= -1.561880 trlgG= -2.224663 logG= -0.653618 TDE= -4.397219 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037574 tlogG= -0.623062 logG= -0.660636 Density= 3.416243 ETOT(band)= -1.569054 trlgG= -2.236612 logG= -0.660636 TDE= -4.400667 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038266 tlogG= -0.609220 logG= -0.647486 Density= 3.420827 ETOT(band)= -1.554325 trlgG= -2.214469 logG= -0.647486 TDE= -4.395464 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.037575 tlogG= -0.626586 logG= -0.664161 Density= 3.415712 ETOT(band)= -1.571976 trlgG= -2.244886 logG= -0.664161 TDE= -4.404977 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.037541 tlogG= -0.620472 logG= -0.658013 Density= 3.416345 ETOT(band)= -1.567167 trlgG= -2.231743 logG= -0.658013 TDE= -4.398506 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.037679 tlogG= -0.624234 logG= -0.661912 Density= 3.416310 ETOT(band)= -1.569689 trlgG= -2.240753 logG= -0.661912 TDE= -4.403588 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037502 tlogG= -0.622540 logG= -0.660041 Density= 3.415887 ETOT(band)= -1.569052 trlgG= -2.235740 logG= -0.660041 TDE= -4.400097 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038013 tlogG= -0.612979 logG= -0.650991 Density= 3.419250 ETOT(band)= -1.558678 trlgG= -2.220140 logG= -0.650991 TDE= -4.396327 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.037934 tlogG= -0.613567 logG= -0.651501 Density= 3.418948 ETOT(band)= -1.559476 trlgG= -2.219936 logG= -0.651501 TDE= -4.395363 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037928 tlogG= -0.615240 logG= -0.653168 Density= 3.418249 ETOT(band)= -1.561227 trlgG= -2.224300 logG= -0.653168 TDE= -4.397482 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.037773 tlogG= -0.616948 logG= -0.654720 Density= 3.417111 ETOT(band)= -1.563627 trlgG= -2.226924 logG= -0.654720 TDE= -4.397613 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037560 tlogG= -0.625159 logG= -0.662719 Density= 3.416087 ETOT(band)= -1.570725 trlgG= -2.240298 logG= -0.662719 TDE= -4.402142 logGD-logG0= -0.038133 tlogG= -0.610016 logG= -0.648149 Density= 3.420092 ETOT(band)= -1.555636 trlgG= -2.215543 logG= -0.648149 TDE= -4.395268 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037859 tlogG= -0.617397 logG= -0.655256 Density= 3.418540 ETOT(band)= -1.562854 trlgG= -2.225335 logG= -0.655256 TDE= -4.396669 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037871 tlogG= -0.616664 logG= -0.654535 Density= 3.418120 ETOT(band)= -1.562411 trlgG= -2.225862 logG= -0.654535 TDE= -4.397570 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037558 tlogG= -0.622214 logG= -0.659773 Density= 3.415918 ETOT(band)= -1.568745 trlgG= -2.235902 logG= -0.659773 TDE= -4.400552 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037723 tlogG= -0.619602 logG= -0.657325 Density= 3.417246 ETOT(band)= -1.565420 trlgG= -2.229775 logG= -0.657325 TDE= -4.397971 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037863 tlogG= -0.617039 logG= -0.654902 Density= 3.418313 ETOT(band)= -1.562655 trlgG= -2.225780 logG= -0.654902 TDE= -4.397282 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037770 tlogG= -0.619812 logG= -0.657581 Density= 3.417811 ETOT(band)= -1.565236 trlgG= -2.229430 logG= -0.657581 TDE= -4.397837 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037633 tlogG= -0.622619 logG= -0.660252 Density= 3.416325 ETOT(band)= -1.568578 trlgG= -2.236668 logG= -0.660252 TDE= -4.401175 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037825 tlogG= -0.620011 logG= -0.657836 Density= 3.418437 ETOT(band)= -1.565004 trlgG= -2.229044 logG= -0.657836 TDE= -4.397714 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.037695 tlogG= -0.621589 logG= -0.659283 Density= 3.416774 ETOT(band)= -1.567330 trlgG= -2.234772 logG= -0.659283 TDE= -4.400619 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037695 tlogG= -0.622159 logG= -0.659854 Density= 3.416454 ETOT(band)= -1.568053 trlgG= -2.236547 logG= -0.659854 TDE= -4.401560 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.037475 tlogG= -0.625303 logG= -0.662778 Density= 3.415499 ETOT(band)= -1.571355 trlgG= -2.241012 logG= -0.662778 TDE= -4.402310 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1022.19399257055 eV TrLogG= -1457.00636115442 eV Ratio to renormalize= 0.999819175750 rho-rho_expected= 0.029660540418 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 8) Finished k-point number 9 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 10) Finished k-point number 11 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 28) Finished k-point number 29 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.801729847751669 0.803159902697360 0.803079390781355 0.801302049215331 0.803688690055612 0.803038036454985 0.802026327443903 0.803025819885507 0.803184050929123 0.801941930479816 0.803227887133226 0.803085904967955 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.037615 tlogG= -0.621865 logG= -0.659480 Density= 3.415946 ETOT(band)= -1.568393 trlgG= -2.236015 logG= -0.659480 TDE= -4.400980 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037840 tlogG= -0.613747 logG= -0.651587 Density= 3.418230 ETOT(band)= -1.560209 trlgG= -2.220653 logG= -0.651587 TDE= -4.395401 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037936 tlogG= -0.613157 logG= -0.651093 Density= 3.418615 ETOT(band)= -1.559364 trlgG= -2.220801 logG= -0.651093 TDE= -4.396362 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037607 tlogG= -0.619989 logG= -0.657596 Density= 3.416059 ETOT(band)= -1.566941 trlgG= -2.231615 logG= -0.657596 TDE= -4.398559 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.037678 tlogG= -0.626012 logG= -0.663689 Density= 3.416085 ETOT(band)= -1.571145 trlgG= -2.244493 logG= -0.663689 TDE= -4.405365 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.037644 tlogG= -0.624358 logG= -0.662003 Density= 3.415964 ETOT(band)= -1.570129 trlgG= -2.241268 logG= -0.662003 TDE= -4.403727 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037556 tlogG= -0.624862 logG= -0.662418 Density= 3.415713 ETOT(band)= -1.570780 trlgG= -2.241474 logG= -0.662418 TDE= -4.403309 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038008 tlogG= -0.613000 logG= -0.651008 Density= 3.419237 ETOT(band)= -1.558691 trlgG= -2.220172 logG= -0.651008 TDE= -4.396331 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037701 tlogG= -0.622224 logG= -0.659925 Density= 3.417341 ETOT(band)= -1.567529 trlgG= -2.233945 logG= -0.659925 TDE= -4.399620 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.037570 tlogG= -0.626609 logG= -0.664179 Density= 3.415697 ETOT(band)= -1.571992 trlgG= -2.244920 logG= -0.664179 TDE= -4.404981 logGD-logG0= -0.037820 tlogG= -0.620033 logG= -0.657853 Density= 3.418423 ETOT(band)= -1.565017 trlgG= -2.229077 logG= -0.657853 TDE= -4.397718 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.037693 tlogG= -0.621939 logG= -0.659632 Density= 3.417026 ETOT(band)= -1.567477 trlgG= -2.234499 logG= -0.659632 TDE= -4.400206 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.037468 tlogG= -0.627168 logG= -0.664635 Density= 3.415349 ETOT(band)= -1.572768 trlgG= -2.244549 logG= -0.664635 TDE= -4.403866 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=127 logGD-logG0= -0.037754 tlogG= -0.619434 logG= -0.657188 Density= 3.417373 ETOT(band)= -1.565267 trlgG= -2.230051 logG= -0.657188 TDE= -4.398489 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037728 tlogG= -0.619814 logG= -0.657541 Density= 3.417478 ETOT(band)= -1.565558 trlgG= -2.229946 logG= -0.657541 TDE= -4.398117 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037768 tlogG= -0.616969 logG= -0.654737 Density= 3.417096 ETOT(band)= -1.563641 trlgG= -2.226957 logG= -0.654737 TDE= -4.397617 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037497 tlogG= -0.622562 logG= -0.660059 Density= 3.415872 ETOT(band)= -1.569066 trlgG= -2.235776 logG= -0.660059 TDE= -4.400102 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.037650 tlogG= -0.617761 logG= -0.655411 Density= 3.417001 ETOT(band)= -1.564444 trlgG= -2.226876 logG= -0.655411 TDE= -4.396783 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037569 tlogG= -0.623084 logG= -0.660653 Density= 3.416228 ETOT(band)= -1.569069 trlgG= -2.236646 logG= -0.660653 TDE= -4.400672 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.037555 tlogG= -0.625181 logG= -0.662736 Density= 3.416072 ETOT(band)= -1.570740 trlgG= -2.240332 logG= -0.662736 TDE= -4.402146 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037690 tlogG= -0.622182 logG= -0.659872 Density= 3.416439 ETOT(band)= -1.568068 trlgG= -2.236581 logG= -0.659872 TDE= -4.401563 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.037765 tlogG= -0.619833 logG= -0.657598 Density= 3.417797 ETOT(band)= -1.565250 trlgG= -2.229463 logG= -0.657598 TDE= -4.397841 logGD-logG0= -0.037568 tlogG= -0.620247 logG= -0.657815 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Density= 3.416191 ETOT(band)= -1.567069 trlgG= -2.231650 logG= -0.657815 TDE= -4.398483 logGD-logG0= -0.037537 tlogG= -0.620494 logG= -0.658030 Density= 3.416330 ETOT(band)= -1.567182 trlgG= -2.231778 logG= -0.658030 TDE= -4.398512 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.037853 tlogG= -0.615782 logG= -0.653635 Density= 3.418022 ETOT(band)= -1.561894 trlgG= -2.224696 logG= -0.653635 TDE= -4.397224 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037924 tlogG= -0.615262 logG= -0.653185 Density= 3.418235 ETOT(band)= -1.561240 trlgG= -2.224333 logG= -0.653185 TDE= -4.397487 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=119 logGD-logG0= -0.037611 tlogG= -0.624733 logG= -0.662344 Density= 3.416165 ETOT(band)= -1.570251 trlgG= -2.240879 logG= -0.662344 TDE= -4.403162 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.037553 tlogG= -0.622237 logG= -0.659790 Density= 3.415903 ETOT(band)= -1.568760 trlgG= -2.235935 logG= -0.659790 TDE= -4.400555 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037470 tlogG= -0.625326 logG= -0.662796 Density= 3.415483 ETOT(band)= -1.571370 trlgG= -2.241047 logG= -0.662796 TDE= -4.402315 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037718 tlogG= -0.619624 logG= -0.657342 Density= 3.417232 ETOT(band)= -1.565433 trlgG= -2.229808 logG= -0.657342 TDE= -4.397974 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037729 tlogG= -0.619174 logG= -0.656903 Density= 3.416761 ETOT(band)= -1.565575 trlgG= -2.230506 logG= -0.656903 TDE= -4.398723 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.037854 tlogG= -0.617419 logG= -0.655273 Density= 3.418527 ETOT(band)= -1.562867 trlgG= -2.225366 logG= -0.655273 TDE= -4.396673 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038129 tlogG= -0.610037 logG= -0.648166 Density= 3.420079 ETOT(band)= -1.555648 trlgG= -2.215574 logG= -0.648166 TDE= -4.395272 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037788 tlogG= -0.616297 logG= -0.654084 Density= 3.417848 ETOT(band)= -1.562518 trlgG= -2.224584 logG= -0.654084 TDE= -4.396518 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037929 tlogG= -0.613589 logG= -0.651518 Density= 3.418935 ETOT(band)= -1.559489 trlgG= -2.219967 logG= -0.651518 TDE= -4.395367 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037867 tlogG= -0.616685 logG= -0.654552 Density= 3.418106 ETOT(band)= -1.562424 trlgG= -2.225894 logG= -0.654552 TDE= -4.397574 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037997 tlogG= -0.610758 logG= -0.648755 Density= 3.419405 ETOT(band)= -1.556830 trlgG= -2.215692 logG= -0.648755 TDE= -4.394243 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037608 tlogG= -0.620019 logG= -0.657628 Density= 3.416605 ETOT(band)= -1.566475 trlgG= -2.230957 logG= -0.657628 TDE= -4.398321 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037779 tlogG= -0.619015 logG= -0.656794 Density= 3.417309 ETOT(band)= -1.564904 trlgG= -2.229831 logG= -0.656794 TDE= -4.398610 logGD-logG0= -0.037674 tlogG= -0.624256 logG= -0.661930 Density= 3.416295 ETOT(band)= -1.569704 trlgG= -2.240787 logG= -0.661930 TDE= -4.403592 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037858 tlogG= -0.617061 logG= -0.654919 Density= 3.418300 ETOT(band)= -1.562668 trlgG= -2.225812 logG= -0.654919 TDE= -4.397285 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037690 tlogG= -0.621611 logG= -0.659301 Density= 3.416759 ETOT(band)= -1.567345 trlgG= -2.234805 logG= -0.659301 TDE= -4.400622 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038089 tlogG= -0.612395 logG= -0.650484 Density= 3.419581 ETOT(band)= -1.557845 trlgG= -2.219643 logG= -0.650484 TDE= -4.396611 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038033 tlogG= -0.612537 logG= -0.650570 Density= 3.419001 ETOT(band)= -1.558485 trlgG= -2.220206 logG= -0.650570 TDE= -4.396608 logGD-logG0= -0.037628 tlogG= -0.622642 logG= -0.660270 Density= 3.416309 ETOT(band)= -1.568593 trlgG= -2.236702 logG= -0.660270 TDE= -4.401178 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038261 tlogG= -0.609241 logG= -0.647503 Density= 3.420815 ETOT(band)= -1.554336 trlgG= -2.214499 logG= -0.647503 TDE= -4.395469 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037708 tlogG= -0.617379 logG= -0.655087 Density= 3.417053 ETOT(band)= -1.564055 trlgG= -2.227083 logG= -0.655087 TDE= -4.397357 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037669 tlogG= -0.619617 logG= -0.657286 Density= 3.416676 ETOT(band)= -1.566054 trlgG= -2.230923 logG= -0.657286 TDE= -4.398686 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 Sum of eigenvalues= -1022.20314339525 eV TrLogG= -1457.02020610791 eV Ratio to renormalize= 0.999823394350 rho-rho_expected= 0.028968442542 nargs= 1 argi=dmft2.def 27) Finished k-point number 28 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 15) Finished k-point number 16 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 10) Finished k-point number 11 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.801798202029061 0.803125589121450 0.803081685692676 0.801372005691623 0.803653906102707 0.803040045681994 0.802094694755605 0.802991522356333 0.803186079669836 0.802011399264067 0.803193263303745 0.803087861277415 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.037683 tlogG= -0.625993 logG= -0.663676 Density= 3.416100 ETOT(band)= -1.571108 trlgG= -2.244437 logG= -0.663676 TDE= -4.405334 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.037575 tlogG= -0.623067 logG= -0.660642 Density= 3.416243 ETOT(band)= -1.569033 trlgG= -2.236593 logG= -0.660642 TDE= -4.400642 logGD-logG0= -0.037941 tlogG= -0.613143 logG= -0.651083 Density= 3.418622 ETOT(band)= -1.559336 trlgG= -2.220746 logG= -0.651083 TDE= -4.396321 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.037634 tlogG= -0.622624 logG= -0.660258 Density= 3.416324 ETOT(band)= -1.568557 trlgG= -2.236649 logG= -0.660258 TDE= -4.401149 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037614 tlogG= -0.620003 logG= -0.657617 Density= 3.416619 ETOT(band)= -1.566440 trlgG= -2.230905 logG= -0.657617 TDE= -4.398291 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037695 tlogG= -0.622165 logG= -0.659860 Density= 3.416453 ETOT(band)= -1.568032 trlgG= -2.236528 logG= -0.659860 TDE= -4.401534 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.037858 tlogG= -0.615767 logG= -0.653625 Density= 3.418031 ETOT(band)= -1.561863 trlgG= -2.224638 logG= -0.653625 TDE= -4.397183 logGD-logG0= -0.037542 tlogG= -0.620477 logG= -0.658020 Density= 3.416345 ETOT(band)= -1.567146 trlgG= -2.231725 logG= -0.658020 TDE= -4.398482 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037561 tlogG= -0.625163 logG= -0.662724 Density= 3.416088 ETOT(band)= -1.570703 trlgG= -2.240277 logG= -0.662724 TDE= -4.402117 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037733 tlogG= -0.619797 logG= -0.657531 Density= 3.417491 ETOT(band)= -1.565524 trlgG= -2.229895 logG= -0.657531 TDE= -4.398088 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037621 tlogG= -0.621847 logG= -0.659468 Density= 3.415961 ETOT(band)= -1.568356 trlgG= -2.235961 logG= -0.659468 TDE= -4.400951 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037574 tlogG= -0.620230 logG= -0.657804 Density= 3.416206 ETOT(band)= -1.567033 trlgG= -2.231598 logG= -0.657804 TDE= -4.398455 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037502 tlogG= -0.622545 logG= -0.660047 Density= 3.415888 ETOT(band)= -1.569029 trlgG= -2.235721 logG= -0.660047 TDE= -4.400072 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.037473 tlogG= -0.627149 logG= -0.664622 Density= 3.415365 ETOT(band)= -1.572730 trlgG= -2.244492 logG= -0.664622 TDE= -4.403836 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=129 logGD-logG0= -0.037476 tlogG= -0.625308 logG= -0.662784 Density= 3.415499 ETOT(band)= -1.571332 trlgG= -2.240991 logG= -0.662784 TDE= -4.402285 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037706 tlogG= -0.622208 logG= -0.659914 Density= 3.417355 ETOT(band)= -1.567494 trlgG= -2.233894 logG= -0.659914 TDE= -4.399592 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.037617 tlogG= -0.624715 logG= -0.662332 Density= 3.416180 ETOT(band)= -1.570215 trlgG= -2.240825 logG= -0.662332 TDE= -4.403133 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.037698 tlogG= -0.621923 logG= -0.659621 Density= 3.417039 ETOT(band)= -1.567442 trlgG= -2.234448 logG= -0.659621 TDE= -4.400178 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037656 tlogG= -0.617745 logG= -0.655401 Density= 3.417014 ETOT(band)= -1.564411 trlgG= -2.226821 logG= -0.655401 TDE= -4.396749 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037793 tlogG= -0.616282 logG= -0.654075 Density= 3.417858 ETOT(band)= -1.562487 trlgG= -2.224528 logG= -0.654075 TDE= -4.396481 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037845 tlogG= -0.613733 logG= -0.651578 Density= 3.418239 ETOT(band)= -1.560180 trlgG= -2.220597 logG= -0.651578 TDE= -4.395361 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038133 tlogG= -0.610024 logG= -0.648157 Density= 3.420082 ETOT(band)= -1.555624 trlgG= -2.215523 logG= -0.648157 TDE= -4.395231 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037679 tlogG= -0.624239 logG= -0.661918 Density= 3.416309 ETOT(band)= -1.569668 trlgG= -2.240733 logG= -0.661918 TDE= -4.403562 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037576 tlogG= -0.626590 logG= -0.664166 Density= 3.415712 ETOT(band)= -1.571954 trlgG= -2.244864 logG= -0.664166 TDE= -4.404951 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038038 tlogG= -0.612523 logG= -0.650560 Density= 3.419007 ETOT(band)= -1.558458 trlgG= -2.220151 logG= -0.650560 TDE= -4.396567 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.037650 tlogG= -0.624340 logG= -0.661990 Density= 3.415979 ETOT(band)= -1.570092 trlgG= -2.241213 logG= -0.661990 TDE= -4.403696 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037735 tlogG= -0.619157 logG= -0.656892 Density= 3.416774 ETOT(band)= -1.565540 trlgG= -2.230453 logG= -0.656892 TDE= -4.398692 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.037771 tlogG= -0.619817 logG= -0.657588 Density= 3.417810 ETOT(band)= -1.565216 trlgG= -2.229415 logG= -0.657588 TDE= -4.397814 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037929 tlogG= -0.615247 logG= -0.653175 Density= 3.418244 ETOT(band)= -1.561210 trlgG= -2.224275 logG= -0.653175 TDE= -4.397446 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038266 tlogG= -0.609228 logG= -0.647494 Density= 3.420815 ETOT(band)= -1.554314 trlgG= -2.214451 logG= -0.647494 TDE= -4.395428 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037713 tlogG= -0.617364 logG= -0.655077 Density= 3.417065 ETOT(band)= -1.564021 trlgG= -2.227027 logG= -0.655077 TDE= -4.397322 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037613 tlogG= -0.619972 logG= -0.657585 Density= 3.416074 ETOT(band)= -1.566904 trlgG= -2.231564 logG= -0.657585 TDE= -4.398531 logGD-logG0= -0.037785 tlogG= -0.618999 logG= -0.656783 Density= 3.417320 ETOT(band)= -1.564871 trlgG= -2.229777 logG= -0.656783 TDE= -4.398576 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037695 tlogG= -0.621594 logG= -0.659289 Density= 3.416772 ETOT(band)= -1.567310 trlgG= -2.234753 logG= -0.659289 TDE= -4.400593 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037872 tlogG= -0.616670 logG= -0.654542 Density= 3.418116 ETOT(band)= -1.562393 trlgG= -2.225840 logG= -0.654542 TDE= -4.397538 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037760 tlogG= -0.619418 logG= -0.657178 Density= 3.417386 ETOT(band)= -1.565233 trlgG= -2.229998 logG= -0.657178 TDE= -4.398457 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037934 tlogG= -0.613575 logG= -0.651509 Density= 3.418943 ETOT(band)= -1.559461 trlgG= -2.219913 logG= -0.651509 TDE= -4.395328 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038094 tlogG= -0.612381 logG= -0.650475 Density= 3.419585 ETOT(band)= -1.557819 trlgG= -2.219590 logG= -0.650475 TDE= -4.396570 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.037559 tlogG= -0.622219 logG= -0.659778 Density= 3.415918 ETOT(band)= -1.568723 trlgG= -2.235882 logG= -0.659778 TDE= -4.400527 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038013 tlogG= -0.612986 logG= -0.650999 Density= 3.419243 ETOT(band)= -1.558664 trlgG= -2.220117 logG= -0.650999 TDE= -4.396291 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.037825 tlogG= -0.620017 logG= -0.657843 Density= 3.418436 ETOT(band)= -1.564984 trlgG= -2.229028 logG= -0.657843 TDE= -4.397691 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.037674 tlogG= -0.619601 logG= -0.657275 Density= 3.416690 ETOT(band)= -1.566019 trlgG= -2.230871 logG= -0.657275 TDE= -4.398656 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038001 tlogG= -0.610745 logG= -0.648747 Density= 3.419410 ETOT(band)= -1.556805 trlgG= -2.215640 logG= -0.648747 TDE= -4.394204 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037773 tlogG= -0.616954 logG= -0.654727 Density= 3.417108 ETOT(band)= -1.563608 trlgG= -2.226900 logG= -0.654727 TDE= -4.397580 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037863 tlogG= -0.617046 logG= -0.654909 Density= 3.418310 ETOT(band)= -1.562637 trlgG= -2.225759 logG= -0.654909 TDE= -4.397250 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037724 tlogG= -0.619608 logG= -0.657331 Density= 3.417244 ETOT(band)= -1.565400 trlgG= -2.229758 logG= -0.657331 TDE= -4.397946 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037562 tlogG= -0.624843 logG= -0.662405 Density= 3.415729 ETOT(band)= -1.570742 trlgG= -2.241419 logG= -0.662405 TDE= -4.403280 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.037860 tlogG= -0.617404 logG= -0.655263 Density= 3.418538 ETOT(band)= -1.562836 trlgG= -2.225315 logG= -0.655263 TDE= -4.396640 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1022.18144951261 eV TrLogG= -1456.99166525072 eV Ratio to renormalize= 0.999819931497 rho-rho_expected= 0.029536553083 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 10) Finished k-point number 11 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 25) Finished k-point number 26 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.801799526981163 0.803130017865245 0.803085663999664 0.801373291921157 0.803658423237607 0.803043995460788 0.802095986452626 0.802996005729958 0.803190093961452 0.802012622858101 0.803197769026167 0.803091846703215 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.037795 tlogG= -0.616323 logG= -0.654118 Density= 3.417868 ETOT(band)= -1.562558 trlgG= -2.224645 logG= -0.654118 TDE= -4.396561 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037616 tlogG= -0.620045 logG= -0.657661 Density= 3.416629 ETOT(band)= -1.566511 trlgG= -2.231020 logG= -0.657661 TDE= -4.398370 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037545 tlogG= -0.620519 logG= -0.658064 Density= 3.416355 ETOT(band)= -1.567217 trlgG= -2.231838 logG= -0.658064 TDE= -4.398559 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.037762 tlogG= -0.619459 logG= -0.657222 Density= 3.417395 ETOT(band)= -1.565304 trlgG= -2.230114 logG= -0.657222 TDE= -4.398537 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037861 tlogG= -0.615808 logG= -0.653669 Density= 3.418042 ETOT(band)= -1.561934 trlgG= -2.224755 logG= -0.653669 TDE= -4.397265 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037708 tlogG= -0.622249 logG= -0.659958 Density= 3.417364 ETOT(band)= -1.567565 trlgG= -2.234008 logG= -0.659958 TDE= -4.399670 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.037847 tlogG= -0.613774 logG= -0.651622 Density= 3.418249 ETOT(band)= -1.560251 trlgG= -2.220714 logG= -0.651622 TDE= -4.395443 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037686 tlogG= -0.626035 logG= -0.663720 Density= 3.416109 ETOT(band)= -1.571179 trlgG= -2.244553 logG= -0.663720 TDE= -4.405413 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.037563 tlogG= -0.625205 logG= -0.662768 logGD-logG0= -0.037564 tlogG= -0.624885 logG= -0.662450 Density= 3.416097 ETOT(band)= -1.570774 trlgG= -2.240392 logG= -0.662768 TDE= -4.402195 Density= 3.415738 ETOT(band)= -1.570813 trlgG= -2.241534 logG= -0.662450 TDE= -4.403359 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037577 tlogG= -0.623109 logG= -0.660686 Density= 3.416252 ETOT(band)= -1.569104 trlgG= -2.236707 logG= -0.660686 TDE= -4.400720 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037698 tlogG= -0.622206 logG= -0.659904 Density= 3.416462 ETOT(band)= -1.568104 trlgG= -2.236644 logG= -0.659904 TDE= -4.401613 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.037736 tlogG= -0.619839 logG= -0.657575 Density= 3.417501 ETOT(band)= -1.565595 trlgG= -2.230010 logG= -0.657575 TDE= -4.398167 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037737 tlogG= -0.619199 logG= -0.656936 Density= 3.416784 ETOT(band)= -1.565611 trlgG= -2.230568 logG= -0.656936 TDE= -4.398771 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.037616 tlogG= -0.620013 logG= -0.657629 Density= 3.416083 ETOT(band)= -1.566975 trlgG= -2.231678 logG= -0.657629 TDE= -4.398609 logGD-logG0= -0.037623 tlogG= -0.621889 logG= -0.659512 Density= 3.415970 ETOT(band)= -1.568427 trlgG= -2.236077 logG= -0.659512 TDE= -4.401031 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037701 tlogG= -0.621964 logG= -0.659665 Density= 3.417049 ETOT(band)= -1.567513 trlgG= -2.234564 logG= -0.659665 TDE= -4.400257 logGD-logG0= -0.037619 tlogG= -0.624756 logG= -0.662376 Density= 3.416189 ETOT(band)= -1.570286 trlgG= -2.240940 logG= -0.662376 TDE= -4.403212 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038268 tlogG= -0.609270 logG= -0.647538 Density= 3.420826 ETOT(band)= -1.554384 trlgG= -2.214568 logG= -0.647538 TDE= -4.395511 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037787 tlogG= -0.619040 logG= -0.656827 Density= 3.417330 ETOT(band)= -1.564942 trlgG= -2.229893 logG= -0.656827 TDE= -4.398657 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.037578 tlogG= -0.626632 logG= -0.664210 Density= 3.415721 ETOT(band)= -1.572025 trlgG= -2.244980 logG= -0.664210 TDE= -4.405030 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.037658 tlogG= -0.617787 logG= -0.655445 Density= 3.417023 ETOT(band)= -1.564481 trlgG= -2.226937 logG= -0.655445 TDE= -4.396829 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037476 tlogG= -0.627191 logG= -0.664667 Density= 3.415375 ETOT(band)= -1.572801 trlgG= -2.244608 logG= -0.664667 TDE= -4.403915 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=129 logGD-logG0= -0.038136 tlogG= -0.610065 logG= -0.648201 Density= 3.420093 ETOT(band)= -1.555694 trlgG= -2.215640 logG= -0.648201 TDE= -4.395314 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038015 tlogG= -0.613027 logG= -0.651043 Density= 3.419254 ETOT(band)= -1.558734 trlgG= -2.220235 logG= -0.651043 TDE= -4.396373 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.037943 tlogG= -0.613184 logG= -0.651127 Density= 3.418633 ETOT(band)= -1.559407 trlgG= -2.220863 logG= -0.651127 TDE= -4.396403 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.037652 tlogG= -0.624382 logG= -0.662034 Density= 3.415988 ETOT(band)= -1.570163 trlgG= -2.241329 logG= -0.662034 TDE= -4.403776 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037866 tlogG= -0.617087 logG= -0.654953 Density= 3.418320 ETOT(band)= -1.562708 trlgG= -2.225875 logG= -0.654953 TDE= -4.397331 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037776 tlogG= -0.616995 logG= -0.654771 Density= 3.417118 ETOT(band)= -1.563679 trlgG= -2.227017 logG= -0.654771 TDE= -4.397661 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037577 tlogG= -0.620272 logG= -0.657848 Density= 3.416216 ETOT(band)= -1.567104 trlgG= -2.231712 logG= -0.657848 TDE= -4.398533 logGD-logG0= -0.037561 tlogG= -0.622261 logG= -0.659822 Density= 3.415928 ETOT(band)= -1.568794 trlgG= -2.235997 logG= -0.659822 TDE= -4.400606 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037874 tlogG= -0.616711 logG= -0.654586 Density= 3.418126 ETOT(band)= -1.562464 trlgG= -2.225957 logG= -0.654586 TDE= -4.397619 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037726 tlogG= -0.619649 logG= -0.657375 Density= 3.417254 ETOT(band)= -1.565471 trlgG= -2.229873 logG= -0.657375 TDE= -4.398025 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038097 tlogG= -0.612422 logG= -0.650519 Density= 3.419596 ETOT(band)= -1.557889 trlgG= -2.219707 logG= -0.650519 TDE= -4.396652 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037773 tlogG= -0.619859 logG= -0.657632 Density= 3.417819 ETOT(band)= -1.565287 trlgG= -2.229529 logG= -0.657632 TDE= -4.397892 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037931 tlogG= -0.615288 logG= -0.653219 Density= 3.418254 ETOT(band)= -1.561281 trlgG= -2.224393 logG= -0.653219 TDE= -4.397528 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.037677 tlogG= -0.619642 logG= -0.657319 Density= 3.416699 ETOT(band)= -1.566090 trlgG= -2.230985 logG= -0.657319 TDE= -4.398735 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037937 tlogG= -0.613616 logG= -0.651553 Density= 3.418953 ETOT(band)= -1.559531 trlgG= -2.220030 logG= -0.651553 TDE= -4.395409 logGD-logG0= -0.037505 tlogG= -0.622586 logG= -0.660091 Density= 3.415897 ETOT(band)= -1.569100 trlgG= -2.235834 logG= -0.660091 TDE= -4.400149 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037862 tlogG= -0.617445 logG= -0.655307 Density= 3.418547 ETOT(band)= -1.562907 trlgG= -2.225430 logG= -0.655307 TDE= -4.396720 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037636 tlogG= -0.622666 logG= -0.660302 Density= 3.416333 ETOT(band)= -1.568628 trlgG= -2.236764 logG= -0.660302 TDE= -4.401228 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037698 tlogG= -0.621636 logG= -0.659333 Density= 3.416782 ETOT(band)= -1.567381 trlgG= -2.234869 logG= -0.659333 TDE= -4.400673 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038040 tlogG= -0.612564 logG= -0.650604 Density= 3.419018 ETOT(band)= -1.558528 trlgG= -2.220268 logG= -0.650604 TDE= -4.396650 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.037478 tlogG= -0.625349 logG= -0.662828 Density= 3.415509 ETOT(band)= -1.571403 trlgG= -2.241106 logG= -0.662828 TDE= -4.402363 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038004 tlogG= -0.610787 logG= -0.648790 Density= 3.419420 ETOT(band)= -1.556875 trlgG= -2.215757 logG= -0.648790 TDE= -4.394286 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037828 tlogG= -0.620059 logG= -0.657886 Density= 3.418445 ETOT(band)= -1.565055 trlgG= -2.229142 logG= -0.657886 TDE= -4.397768 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.037682 tlogG= -0.624280 logG= -0.661962 Density= 3.416319 ETOT(band)= -1.569739 trlgG= -2.240849 logG= -0.661962 TDE= -4.403641 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037716 tlogG= -0.617405 logG= -0.655121 Density= 3.417075 ETOT(band)= -1.564092 trlgG= -2.227144 logG= -0.655121 TDE= -4.397403 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1022.22772206219 eV TrLogG= -1457.07249250205 eV Ratio to renormalize= 0.999817048564 rho-rho_expected= 0.030009525790 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 28) Finished k-point number 29 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 24) Finished k-point number 25 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 43) Finished k-point number 44 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.801766914730643 0.803077517170787 0.803028129368371 0.801340880345193 0.803604950261015 0.802987090152357 0.802063646562636 0.802942906851196 0.803132663674200 0.801980523032814 0.803144436753970 0.803034610831608 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.037685 tlogG= -0.621833 logG= -0.659518 Density= 3.416990 ETOT(band)= -1.567221 trlgG= -2.234122 logG= -0.659518 TDE= -4.399913 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037549 tlogG= -0.624754 logG= -0.662303 Density= 3.415679 ETOT(band)= -1.570521 trlgG= -2.241092 logG= -0.662303 TDE= -4.403014 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=117 logGD-logG0= -0.037746 tlogG= -0.619329 logG= -0.657075 Density= 3.417335 ETOT(band)= -1.565013 trlgG= -2.229671 logG= -0.657075 TDE= -4.398190 logGD-logG0= -0.037489 tlogG= -0.622455 logG= -0.659944 Density= 3.415838 ETOT(band)= -1.568808 trlgG= -2.235403 logG= -0.659944 TDE= -4.399816 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.037642 tlogG= -0.617656 logG= -0.655299 Density= 3.416962 ETOT(band)= -1.564191 trlgG= -2.226493 logG= -0.655299 TDE= -4.396481 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037720 tlogG= -0.619708 logG= -0.657428 Density= 3.417441 ETOT(band)= -1.565304 trlgG= -2.229570 logG= -0.657428 TDE= -4.397825 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037670 tlogG= -0.625904 logG= -0.663574 Density= 3.416050 ETOT(band)= -1.570887 trlgG= -2.244110 logG= -0.663574 TDE= -4.405068 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.037562 tlogG= -0.622977 logG= -0.660539 Density= 3.416193 ETOT(band)= -1.568811 trlgG= -2.236272 logG= -0.660539 TDE= -4.400383 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037779 tlogG= -0.616193 logG= -0.653972 Density= 3.417806 ETOT(band)= -1.562268 trlgG= -2.224196 logG= -0.653972 TDE= -4.396208 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037460 tlogG= -0.627059 logG= -0.664520 Density= 3.415316 ETOT(band)= -1.572508 trlgG= -2.244166 logG= -0.664520 TDE= -4.403571 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=127 logGD-logG0= -0.037600 tlogG= -0.619914 logG= -0.657514 Density= 3.416569 ETOT(band)= -1.566219 trlgG= -2.230583 logG= -0.657514 TDE= -4.398030 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037845 tlogG= -0.615678 logG= -0.653523 Density= 3.417978 ETOT(band)= -1.561645 trlgG= -2.224300 logG= -0.653523 TDE= -4.396903 logGD-logG0= -0.037608 tlogG= -0.621758 logG= -0.659366 Density= 3.415911 ETOT(band)= -1.568136 trlgG= -2.235636 logG= -0.659366 TDE= -4.400686 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037722 tlogG= -0.619068 logG= -0.656790 Density= 3.416722 ETOT(band)= -1.565321 trlgG= -2.230129 logG= -0.656790 TDE= -4.398427 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.037846 tlogG= -0.617314 logG= -0.655161 Density= 3.418487 ETOT(band)= -1.562615 trlgG= -2.224987 logG= -0.655161 TDE= -4.396373 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038120 tlogG= -0.609936 logG= -0.648056 Density= 3.420024 ETOT(band)= -1.555409 trlgG= -2.215189 logG= -0.648056 TDE= -4.394951 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037927 tlogG= -0.613054 logG= -0.650982 Density= 3.418568 ETOT(band)= -1.559119 trlgG= -2.220409 logG= -0.650982 TDE= -4.396041 logGD-logG0= -0.037548 tlogG= -0.625073 logG= -0.662621 Density= 3.416039 ETOT(band)= -1.570481 trlgG= -2.239954 logG= -0.662621 TDE= -4.401855 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037561 tlogG= -0.620141 logG= -0.657702 Density= 3.416156 ETOT(band)= -1.566812 trlgG= -2.231278 logG= -0.657702 TDE= -4.398196 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037600 tlogG= -0.619883 logG= -0.657483 Density= 3.416023 ETOT(band)= -1.566684 trlgG= -2.231244 logG= -0.657483 TDE= -4.398271 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037850 tlogG= -0.616957 logG= -0.654807 Density= 3.418258 ETOT(band)= -1.562418 trlgG= -2.225426 logG= -0.654807 TDE= -4.396977 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037693 tlogG= -0.622118 logG= -0.659811 Density= 3.417306 ETOT(band)= -1.567272 trlgG= -2.233574 logG= -0.659811 TDE= -4.399334 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038024 tlogG= -0.612435 logG= -0.650459 Density= 3.418951 ETOT(band)= -1.558242 trlgG= -2.219815 logG= -0.650459 TDE= -4.396287 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.037563 tlogG= -0.626501 logG= -0.664063 Density= 3.415663 ETOT(band)= -1.571733 trlgG= -2.244537 logG= -0.664063 TDE= -4.404685 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.037711 tlogG= -0.619519 logG= -0.657229 Density= 3.417194 ETOT(band)= -1.565180 trlgG= -2.229434 logG= -0.657229 TDE= -4.397682 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038252 tlogG= -0.609141 logG= -0.647393 Density= 3.420755 ETOT(band)= -1.554101 trlgG= -2.214119 logG= -0.647393 TDE= -4.395148 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037529 tlogG= -0.620388 logG= -0.657917 Density= 3.416296 ETOT(band)= -1.566925 trlgG= -2.231410 logG= -0.657917 TDE= -4.398228 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.037999 tlogG= -0.612898 logG= -0.650897 Density= 3.419188 ETOT(band)= -1.558447 trlgG= -2.219780 logG= -0.650897 TDE= -4.396010 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037760 tlogG= -0.616865 logG= -0.654625 Density= 3.417056 ETOT(band)= -1.563390 trlgG= -2.226565 logG= -0.654625 TDE= -4.397304 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037637 tlogG= -0.624251 logG= -0.661888 Density= 3.415929 ETOT(band)= -1.569871 trlgG= -2.240887 logG= -0.661888 TDE= -4.403431 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037666 tlogG= -0.624149 logG= -0.661815 Density= 3.416259 ETOT(band)= -1.569448 trlgG= -2.240407 logG= -0.661815 TDE= -4.403296 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037661 tlogG= -0.619512 logG= -0.657173 Density= 3.416639 ETOT(band)= -1.565799 trlgG= -2.230548 logG= -0.657173 TDE= -4.398394 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037620 tlogG= -0.622535 logG= -0.660155 Density= 3.416274 ETOT(band)= -1.568337 trlgG= -2.236324 logG= -0.660155 TDE= -4.400885 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037546 tlogG= -0.622130 logG= -0.659676 Density= 3.415868 ETOT(band)= -1.568502 trlgG= -2.235557 logG= -0.659676 TDE= -4.400262 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037831 tlogG= -0.613644 logG= -0.651476 Density= 3.418186 ETOT(band)= -1.559962 trlgG= -2.220262 logG= -0.651476 TDE= -4.395084 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037771 tlogG= -0.618910 logG= -0.656681 Density= 3.417268 ETOT(band)= -1.564652 trlgG= -2.229448 logG= -0.656681 TDE= -4.398306 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038080 tlogG= -0.612293 logG= -0.650373 Density= 3.419528 ETOT(band)= -1.557604 trlgG= -2.219254 logG= -0.650373 TDE= -4.396289 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.037604 tlogG= -0.624625 logG= -0.662229 Density= 3.416130 ETOT(band)= -1.569994 trlgG= -2.240498 logG= -0.662229 TDE= -4.402868 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.037812 tlogG= -0.619927 logG= -0.657740 Density= 3.418387 ETOT(band)= -1.564762 trlgG= -2.228711 logG= -0.657740 TDE= -4.397435 logGD-logG0= -0.037682 tlogG= -0.621505 logG= -0.659187 Density= 3.416722 ETOT(band)= -1.567090 trlgG= -2.234427 logG= -0.659187 TDE= -4.400328 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.037921 tlogG= -0.613486 logG= -0.651407 Density= 3.418889 ETOT(band)= -1.559243 trlgG= -2.219577 logG= -0.651407 TDE= -4.395050 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037858 tlogG= -0.616581 logG= -0.654440 Density= 3.418063 ETOT(band)= -1.562175 trlgG= -2.225507 logG= -0.654440 TDE= -4.397264 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037700 tlogG= -0.617275 logG= -0.654975 Density= 3.417014 ETOT(band)= -1.563802 trlgG= -2.226693 logG= -0.654975 TDE= -4.397047 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037988 tlogG= -0.610657 logG= -0.648645 Density= 3.419354 ETOT(band)= -1.556589 trlgG= -2.215305 logG= -0.648645 TDE= -4.393924 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037463 tlogG= -0.625218 logG= -0.662681 Density= 3.415450 ETOT(band)= -1.571111 trlgG= -2.240669 logG= -0.662681 TDE= -4.402025 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037757 tlogG= -0.619728 logG= -0.657485 Density= 3.417760 ETOT(band)= -1.564995 trlgG= -2.229094 logG= -0.657485 TDE= -4.397555 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037915 tlogG= -0.615158 logG= -0.653074 Density= 3.418189 ETOT(band)= -1.560993 trlgG= -2.223938 logG= -0.653074 TDE= -4.397165 logGD-logG0= -0.037682 tlogG= -0.622076 logG= -0.659758 Density= 3.416402 ETOT(band)= -1.567813 trlgG= -2.236203 logG= -0.659758 TDE= -4.401268 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 Sum of eigenvalues= -1022.03811724925 eV TrLogG= -1456.74986719181 eV Ratio to renormalize= 0.999835009000 rho-rho_expected= 0.027062989205 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 21) Finished k-point number 22 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 17) Finished k-point number 18 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 35) Finished k-point number 36 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 8) Finished k-point number 9 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.801780546950863 0.803090615692016 0.803040927572061 0.801354636985328 0.803617990092628 0.802999788479404 0.802077239938968 0.802955978821142 0.803145460596173 0.801994146543851 0.803157508233020 0.803047404051072 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.037673 tlogG= -0.625899 logG= -0.663572 Density= 3.416060 ETOT(band)= -1.570895 trlgG= -2.244116 logG= -0.663572 TDE= -4.405084 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.037603 tlogG= -0.619878 logG= -0.657481 Density= 3.416033 ETOT(band)= -1.566692 trlgG= -2.231249 logG= -0.657481 TDE= -4.398286 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037565 tlogG= -0.622972 logG= -0.660537 Density= 3.416203 ETOT(band)= -1.568819 trlgG= -2.236277 logG= -0.660537 TDE= -4.400398 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037688 tlogG= -0.621828 logG= -0.659516 Density= 3.417000 ETOT(band)= -1.567229 trlgG= -2.234128 logG= -0.659516 TDE= -4.399929 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037640 tlogG= -0.624246 logG= -0.661886 Density= 3.415939 ETOT(band)= -1.569879 trlgG= -2.240893 logG= -0.661886 TDE= -4.403447 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037723 tlogG= -0.619703 logG= -0.657426 Density= 3.417451 ETOT(band)= -1.565311 trlgG= -2.229576 logG= -0.657426 TDE= -4.397840 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037669 tlogG= -0.624144 logG= -0.661813 Density= 3.416269 ETOT(band)= -1.569455 trlgG= -2.240413 logG= -0.661813 TDE= -4.403312 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037848 tlogG= -0.615673 logG= -0.653521 Density= 3.417989 ETOT(band)= -1.561652 trlgG= -2.224308 logG= -0.653521 TDE= -4.396922 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037725 tlogG= -0.619063 logG= -0.656788 Density= 3.416732 ETOT(band)= -1.565329 trlgG= -2.230134 logG= -0.656788 TDE= -4.398443 logGD-logG0= -0.037645 tlogG= -0.617651 logG= -0.655297 Density= 3.416972 ETOT(band)= -1.564198 trlgG= -2.226499 logG= -0.655297 TDE= -4.396497 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.037749 tlogG= -0.619324 logG= -0.657073 Density= 3.417345 ETOT(band)= -1.565021 trlgG= -2.229677 logG= -0.657073 TDE= -4.398207 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037834 tlogG= -0.613639 logG= -0.651474 Density= 3.418196 ETOT(band)= -1.559969 trlgG= -2.220269 logG= -0.651474 TDE= -4.395102 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037611 tlogG= -0.621753 logG= -0.659364 Density= 3.415921 ETOT(band)= -1.568143 trlgG= -2.235642 logG= -0.659364 TDE= -4.400703 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037930 tlogG= -0.613049 logG= -0.650980 Density= 3.418578 ETOT(band)= -1.559126 trlgG= -2.220417 logG= -0.650980 TDE= -4.396059 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037853 tlogG= -0.616952 logG= -0.654805 Density= 3.418268 ETOT(band)= -1.562426 trlgG= -2.225433 logG= -0.654805 TDE= -4.396994 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037623 tlogG= -0.622530 logG= -0.660153 Density= 3.416284 ETOT(band)= -1.568344 trlgG= -2.236329 logG= -0.660153 TDE= -4.400901 logGD-logG0= -0.037566 tlogG= -0.626496 logG= -0.664061 Density= 3.415672 ETOT(band)= -1.571740 trlgG= -2.244543 logG= -0.664061 TDE= -4.404701 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038002 tlogG= -0.612893 logG= -0.650895 Density= 3.419199 ETOT(band)= -1.558454 trlgG= -2.219788 logG= -0.650895 TDE= -4.396029 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037603 tlogG= -0.619909 logG= -0.657512 Density= 3.416579 ETOT(band)= -1.566227 trlgG= -2.230589 logG= -0.657512 TDE= -4.398046 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.037552 tlogG= -0.624749 logG= -0.662301 Density= 3.415689 ETOT(band)= -1.570529 trlgG= -2.241098 logG= -0.662301 TDE= -4.403030 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=117 logGD-logG0= -0.037466 tlogG= -0.625213 logG= -0.662679 Density= 3.415460 ETOT(band)= -1.571118 trlgG= -2.240674 logG= -0.662679 TDE= -4.402040 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037551 tlogG= -0.625068 logG= -0.662619 Density= 3.416048 ETOT(band)= -1.570489 trlgG= -2.239959 logG= -0.662619 TDE= -4.401871 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037532 tlogG= -0.620383 logG= -0.657915 Density= 3.416305 ETOT(band)= -1.566933 trlgG= -2.231414 logG= -0.657915 TDE= -4.398242 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.037549 tlogG= -0.622125 logG= -0.659674 Density= 3.415878 ETOT(band)= -1.568510 trlgG= -2.235563 logG= -0.659674 TDE= -4.400278 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037782 tlogG= -0.616188 logG= -0.653970 Density= 3.417816 ETOT(band)= -1.562275 trlgG= -2.224203 logG= -0.653970 TDE= -4.396225 21) Finished k-point 22 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037714 tlogG= -0.619514 logG= -0.657227 Density= 3.417203 ETOT(band)= -1.565188 trlgG= -2.229440 logG= -0.657227 TDE= -4.397698 logGD-logG0= -0.037696 tlogG= -0.622113 logG= -0.659809 Density= 3.417316 ETOT(band)= -1.567280 trlgG= -2.233579 logG= -0.659809 TDE= -4.399348 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037463 tlogG= -0.627054 logG= -0.664518 Density= 3.415326 ETOT(band)= -1.572516 trlgG= -2.244171 logG= -0.664518 TDE= -4.403587 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=127 logGD-logG0= -0.037607 tlogG= -0.624620 logG= -0.662227 Density= 3.416140 ETOT(band)= -1.570001 trlgG= -2.240504 logG= -0.662227 TDE= -4.402884 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.037703 tlogG= -0.617270 logG= -0.654973 Density= 3.417024 ETOT(band)= -1.563810 trlgG= -2.226700 logG= -0.654973 TDE= -4.397064 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037763 tlogG= -0.616860 logG= -0.654623 Density= 3.417066 ETOT(band)= -1.563397 trlgG= -2.226572 logG= -0.654623 TDE= -4.397321 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037774 tlogG= -0.618905 logG= -0.656679 Density= 3.417278 ETOT(band)= -1.564659 trlgG= -2.229454 logG= -0.656679 TDE= -4.398323 logGD-logG0= -0.038123 tlogG= -0.609931 logG= -0.648054 Density= 3.420035 ETOT(band)= -1.555416 trlgG= -2.215197 logG= -0.648054 TDE= -4.394970 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038255 tlogG= -0.609136 logG= -0.647391 Density= 3.420766 ETOT(band)= -1.554108 trlgG= -2.214126 logG= -0.647391 TDE= -4.395166 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.037685 tlogG= -0.622070 logG= -0.659755 Density= 3.416412 ETOT(band)= -1.567820 trlgG= -2.236209 logG= -0.659755 TDE= -4.401285 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.037815 tlogG= -0.619923 logG= -0.657738 Density= 3.418396 ETOT(band)= -1.564770 trlgG= -2.228716 logG= -0.657738 TDE= -4.397450 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038027 tlogG= -0.612430 logG= -0.650457 Density= 3.418961 ETOT(band)= -1.558249 trlgG= -2.219823 logG= -0.650457 TDE= -4.396305 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.037564 tlogG= -0.620136 logG= -0.657700 Density= 3.416166 ETOT(band)= -1.566820 trlgG= -2.231284 logG= -0.657700 TDE= -4.398212 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038083 tlogG= -0.612288 logG= -0.650371 Density= 3.419539 ETOT(band)= -1.557611 trlgG= -2.219262 logG= -0.650371 TDE= -4.396308 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.037918 tlogG= -0.615153 logG= -0.653071 Density= 3.418200 ETOT(band)= -1.561000 trlgG= -2.223946 logG= -0.653071 TDE= -4.397184 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.037492 tlogG= -0.622450 logG= -0.659942 Density= 3.415848 ETOT(band)= -1.568816 trlgG= -2.235408 logG= -0.659942 TDE= -4.399830 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.037861 tlogG= -0.616576 logG= -0.654438 Density= 3.418073 ETOT(band)= -1.562183 trlgG= -2.225514 logG= -0.654438 TDE= -4.397281 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037991 tlogG= -0.610652 logG= -0.648643 Density= 3.419365 ETOT(band)= -1.556596 trlgG= -2.215313 logG= -0.648643 TDE= -4.393942 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037685 tlogG= -0.621500 logG= -0.659185 Density= 3.416732 ETOT(band)= -1.567097 trlgG= -2.234433 logG= -0.659185 TDE= -4.400344 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037849 tlogG= -0.617310 logG= -0.655159 Density= 3.418497 ETOT(band)= -1.562623 trlgG= -2.224993 logG= -0.655159 TDE= -4.396389 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.037664 tlogG= -0.619507 logG= -0.657171 Density= 3.416649 ETOT(band)= -1.565807 trlgG= -2.230553 logG= -0.657171 TDE= -4.398409 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037924 tlogG= -0.613481 logG= -0.651405 Density= 3.418900 ETOT(band)= -1.559250 trlgG= -2.219585 logG= -0.651405 TDE= -4.395068 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037760 tlogG= -0.619723 logG= -0.657483 Density= 3.417769 ETOT(band)= -1.565003 trlgG= -2.229099 logG= -0.657483 TDE= -4.397570 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Sum of eigenvalues= -1022.04301761698 eV TrLogG= -1456.75932526691 eV Ratio to renormalize= 0.999832058760 rho-rho_expected= 0.027546989702 nargs= 1 argi=dmft2.def 17) Finished k-point number 18 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 34) Finished k-point number 35 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 23) Finished k-point number 24 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 27) Finished k-point number 28 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.801787039953465 0.803100043421779 0.803049873495056 0.801361142461454 0.803627505170524 0.803008639584063 0.802083691253980 0.802965456427574 0.803154388239969 0.802000592550679 0.803167005379903 0.803056317178855 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.037468 tlogG= -0.625222 logG= -0.662690 Density= 3.415468 ETOT(band)= -1.571148 trlgG= -2.240714 logG= -0.662690 TDE= -4.402076 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037725 tlogG= -0.619712 logG= -0.657437 Density= 3.417459 ETOT(band)= -1.565341 trlgG= -2.229617 logG= -0.657437 TDE= -4.397877 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037465 tlogG= -0.627063 logG= -0.664529 Density= 3.415335 ETOT(band)= -1.572545 trlgG= -2.244212 logG= -0.664529 TDE= -4.403624 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=127 logGD-logG0= -0.037675 tlogG= -0.625907 logG= -0.663583 Density= 3.416068 ETOT(band)= -1.570924 trlgG= -2.244157 logG= -0.663583 TDE= -4.405121 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.037852 tlogG= -0.617318 logG= -0.655170 Density= 3.418505 ETOT(band)= -1.562653 trlgG= -2.225034 logG= -0.655170 TDE= -4.396427 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.037933 tlogG= -0.613058 logG= -0.650991 Density= 3.418587 ETOT(band)= -1.559155 trlgG= -2.220459 logG= -0.650991 TDE= -4.396099 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037785 tlogG= -0.616197 logG= -0.653981 Density= 3.417825 ETOT(band)= -1.562304 trlgG= -2.224245 logG= -0.653981 TDE= -4.396263 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037698 tlogG= -0.622122 logG= -0.659820 Density= 3.417324 ETOT(band)= -1.567310 trlgG= -2.233619 logG= -0.659820 TDE= -4.399384 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.037605 tlogG= -0.619887 logG= -0.657492 Density= 3.416042 ETOT(band)= -1.566721 trlgG= -2.231289 logG= -0.657492 TDE= -4.398322 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037850 tlogG= -0.615682 logG= -0.653532 Density= 3.417998 ETOT(band)= -1.561681 trlgG= -2.224350 logG= -0.653532 TDE= -4.396961 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037534 tlogG= -0.620392 logG= -0.657926 Density= 3.416314 ETOT(band)= -1.566962 trlgG= -2.231453 logG= -0.657926 TDE= -4.398277 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.037666 tlogG= -0.619516 logG= -0.657182 Density= 3.416657 ETOT(band)= -1.565836 trlgG= -2.230594 logG= -0.657182 TDE= -4.398446 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037752 tlogG= -0.619333 logG= -0.657084 Density= 3.417353 ETOT(band)= -1.565050 trlgG= -2.229718 logG= -0.657084 TDE= -4.398244 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037864 tlogG= -0.616585 logG= -0.654449 Density= 3.418082 ETOT(band)= -1.562212 trlgG= -2.225556 logG= -0.654449 TDE= -4.397319 logGD-logG0= -0.037671 tlogG= -0.624153 logG= -0.661824 Density= 3.416277 ETOT(band)= -1.569484 trlgG= -2.240453 logG= -0.661824 TDE= -4.403349 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037567 tlogG= -0.622981 logG= -0.660548 Density= 3.416211 ETOT(band)= -1.568848 trlgG= -2.236316 logG= -0.660548 TDE= -4.400434 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037606 tlogG= -0.619918 logG= -0.657523 Density= 3.416587 ETOT(band)= -1.566256 trlgG= -2.230629 logG= -0.657523 TDE= -4.398082 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037609 tlogG= -0.624629 logG= -0.662238 Density= 3.416149 ETOT(band)= -1.570030 trlgG= -2.240545 logG= -0.662238 TDE= -4.402920 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.037690 tlogG= -0.621837 logG= -0.659527 Density= 3.417008 ETOT(band)= -1.567258 trlgG= -2.234169 logG= -0.659527 TDE= -4.399966 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037837 tlogG= -0.613648 logG= -0.651485 Density= 3.418205 ETOT(band)= -1.559998 trlgG= -2.220312 logG= -0.651485 TDE= -4.395141 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037642 tlogG= -0.624254 logG= -0.661897 Density= 3.415947 ETOT(band)= -1.569908 trlgG= -2.240933 logG= -0.661897 TDE= -4.403484 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038086 tlogG= -0.612296 logG= -0.650382 Density= 3.419549 ETOT(band)= -1.557640 trlgG= -2.219304 logG= -0.650382 TDE= -4.396347 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037716 tlogG= -0.619523 logG= -0.657238 Density= 3.417212 ETOT(band)= -1.565217 trlgG= -2.229480 logG= -0.657238 TDE= -4.397735 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038257 tlogG= -0.609144 logG= -0.647402 Density= 3.420776 ETOT(band)= -1.554136 trlgG= -2.214168 logG= -0.647402 TDE= -4.395206 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037705 tlogG= -0.617279 logG= -0.654984 Density= 3.417033 ETOT(band)= -1.563839 trlgG= -2.226743 logG= -0.654984 TDE= -4.397103 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037648 tlogG= -0.617660 logG= -0.655308 Density= 3.416981 ETOT(band)= -1.564228 trlgG= -2.226540 logG= -0.655308 TDE= -4.396534 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037495 tlogG= -0.622459 logG= -0.659954 Density= 3.415857 ETOT(band)= -1.568845 trlgG= -2.235447 logG= -0.659954 TDE= -4.399866 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.037566 tlogG= -0.620145 logG= -0.657711 Density= 3.416175 ETOT(band)= -1.566849 trlgG= -2.231323 logG= -0.657711 TDE= -4.398247 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037568 tlogG= -0.626505 logG= -0.664072 Density= 3.415681 ETOT(band)= -1.571769 trlgG= -2.244584 logG= -0.664072 TDE= -4.404738 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.037613 tlogG= -0.621762 logG= -0.659375 Density= 3.415929 ETOT(band)= -1.568173 trlgG= -2.235682 logG= -0.659375 TDE= -4.400739 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037687 tlogG= -0.621509 logG= -0.659196 Density= 3.416740 ETOT(band)= -1.567127 trlgG= -2.234474 logG= -0.659196 TDE= -4.400381 logGD-logG0= -0.037553 tlogG= -0.625077 logG= -0.662630 Density= 3.416057 ETOT(band)= -1.570518 trlgG= -2.239999 logG= -0.662630 TDE= -4.401907 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037776 tlogG= -0.618913 logG= -0.656690 Density= 3.417287 ETOT(band)= -1.564688 trlgG= -2.229495 logG= -0.656690 TDE= -4.398361 logGD-logG0= -0.037554 tlogG= -0.624758 logG= -0.662312 Density= 3.415698 ETOT(band)= -1.570558 trlgG= -2.241139 logG= -0.662312 TDE= -4.403067 logGD-logG0= -0.037920 tlogG= -0.615162 logG= -0.653082 Density= 3.418209 ETOT(band)= -1.561029 trlgG= -2.223989 logG= -0.653082 TDE= -4.397223 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=117 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.037626 tlogG= -0.622539 logG= -0.660164 Density= 3.416292 ETOT(band)= -1.568374 trlgG= -2.236370 logG= -0.660164 TDE= -4.400938 logGD-logG0= -0.037817 tlogG= -0.619932 logG= -0.657749 Density= 3.418405 ETOT(band)= -1.564800 trlgG= -2.228755 logG= -0.657749 TDE= -4.397485 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.037763 tlogG= -0.619732 logG= -0.657494 Density= 3.417778 ETOT(band)= -1.565033 trlgG= -2.229139 logG= -0.657494 TDE= -4.397606 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037765 tlogG= -0.616869 logG= -0.654634 Density= 3.417075 ETOT(band)= -1.563426 trlgG= -2.226615 logG= -0.654634 TDE= -4.397360 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038125 tlogG= -0.609940 logG= -0.648065 Density= 3.420045 ETOT(band)= -1.555445 trlgG= -2.215239 logG= -0.648065 TDE= -4.395009 logGD-logG0= -0.037855 tlogG= -0.616961 logG= -0.654816 Density= 3.418277 ETOT(band)= -1.562455 trlgG= -2.225475 logG= -0.654816 TDE= -4.397032 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037727 tlogG= -0.619072 logG= -0.656799 Density= 3.416741 ETOT(band)= -1.565358 trlgG= -2.230175 logG= -0.656799 TDE= -4.398479 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038029 tlogG= -0.612438 logG= -0.650468 Density= 3.418971 ETOT(band)= -1.558278 trlgG= -2.219865 logG= -0.650468 TDE= -4.396345 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038005 tlogG= -0.612901 logG= -0.650906 Density= 3.419208 ETOT(band)= -1.558483 trlgG= -2.219831 logG= -0.650906 TDE= -4.396068 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037551 tlogG= -0.622134 logG= -0.659685 Density= 3.415887 ETOT(band)= -1.568539 trlgG= -2.235603 logG= -0.659685 TDE= -4.400315 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037926 tlogG= -0.613490 logG= -0.651416 Density= 3.418909 ETOT(band)= -1.559279 trlgG= -2.219627 logG= -0.651416 TDE= -4.395107 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037687 tlogG= -0.622079 logG= -0.659766 Density= 3.416420 ETOT(band)= -1.567849 trlgG= -2.236250 logG= -0.659766 TDE= -4.401321 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.037993 tlogG= -0.610661 logG= -0.648654 Density= 3.419374 ETOT(band)= -1.556625 trlgG= -2.215355 logG= -0.648654 TDE= -4.393982 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1022.06205808211 eV TrLogG= -1456.79089342534 eV Ratio to renormalize= 0.999829508876 rho-rho_expected= 0.027965312194 nargs= 1 argi=dmft2.def 10) Finished k-point number 11 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 41) Finished k-point number 42 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 17) Finished k-point number 18 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 29) Finished k-point number 30 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.801721605352122 0.803091804170387 0.803033632155287 0.801294669767037 0.803619759153629 0.802992898358652 0.802018284053523 0.802957358507797 0.803138401331774 0.801934488675961 0.803159195672710 0.803040310916210 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.037840 tlogG= -0.615720 logG= -0.653560 Density= 3.417968 ETOT(band)= -1.561729 trlgG= -2.224431 logG= -0.653560 TDE= -4.396989 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037715 tlogG= -0.619750 logG= -0.657465 Density= 3.417429 ETOT(band)= -1.565390 trlgG= -2.229698 logG= -0.657465 TDE= -4.397905 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037774 tlogG= -0.616235 logG= -0.654009 Density= 3.417795 ETOT(band)= -1.562353 trlgG= -2.224327 logG= -0.654009 TDE= -4.396292 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037826 tlogG= -0.613686 logG= -0.651512 Density= 3.418176 ETOT(band)= -1.560046 trlgG= -2.220392 logG= -0.651512 TDE= -4.395169 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037716 tlogG= -0.619111 logG= -0.656827 Density= 3.416711 ETOT(band)= -1.565407 trlgG= -2.230256 logG= -0.656827 TDE= -4.398507 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.037541 tlogG= -0.622173 logG= -0.659713 Density= 3.415855 ETOT(band)= -1.568590 trlgG= -2.235684 logG= -0.659713 TDE= -4.400342 logGD-logG0= -0.037661 tlogG= -0.624193 logG= -0.661854 Density= 3.416247 ETOT(band)= -1.569535 trlgG= -2.240535 logG= -0.661854 TDE= -4.403376 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037598 tlogG= -0.624669 logG= -0.662267 Density= 3.416118 ETOT(band)= -1.570081 trlgG= -2.240626 logG= -0.662267 TDE= -4.402947 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.037680 tlogG= -0.621876 logG= -0.659556 Density= 3.416978 ETOT(band)= -1.567307 trlgG= -2.234249 logG= -0.659556 TDE= -4.399992 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037556 tlogG= -0.623020 logG= -0.660577 Density= 3.416180 ETOT(band)= -1.568899 trlgG= -2.236400 logG= -0.660577 TDE= -4.400463 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037665 tlogG= -0.625948 logG= -0.663612 Density= 3.416038 ETOT(band)= -1.570975 trlgG= -2.244239 logG= -0.663612 TDE= -4.405149 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.037557 tlogG= -0.626545 logG= -0.664102 Density= 3.415650 ETOT(band)= -1.571821 trlgG= -2.244667 logG= -0.664102 TDE= -4.404766 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.037755 tlogG= -0.616907 logG= -0.654662 Density= 3.417044 ETOT(band)= -1.563475 trlgG= -2.226695 logG= -0.654662 TDE= -4.397387 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037524 tlogG= -0.620430 logG= -0.657954 Density= 3.416282 ETOT(band)= -1.567012 trlgG= -2.231538 logG= -0.657954 TDE= -4.398309 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.037455 tlogG= -0.627103 logG= -0.664558 Density= 3.415303 ETOT(band)= -1.572597 trlgG= -2.244296 logG= -0.664558 TDE= -4.403652 logGD-logG0= -0.037542 tlogG= -0.625117 logG= -0.662659 Density= 3.416026 ETOT(band)= -1.570569 trlgG= -2.240083 logG= -0.662659 TDE= -4.401936 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=127 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037632 tlogG= -0.624294 logG= -0.661926 Density= 3.415916 ETOT(band)= -1.569959 trlgG= -2.241015 logG= -0.661926 TDE= -4.403511 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037922 tlogG= -0.613096 logG= -0.651018 Density= 3.418558 ETOT(band)= -1.559203 trlgG= -2.220538 logG= -0.651018 TDE= -4.396126 logGD-logG0= -0.037595 tlogG= -0.619925 logG= -0.657519 Density= 3.416011 ETOT(band)= -1.566771 trlgG= -2.231370 logG= -0.657519 TDE= -4.398350 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.037916 tlogG= -0.613528 logG= -0.651443 Density= 3.418880 ETOT(band)= -1.559326 trlgG= -2.219707 logG= -0.651443 TDE= -4.395135 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037677 tlogG= -0.622118 logG= -0.659795 Density= 3.416390 ETOT(band)= -1.567900 trlgG= -2.236330 logG= -0.659795 TDE= -4.401348 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.037637 tlogG= -0.617698 logG= -0.655335 Density= 3.416950 ETOT(band)= -1.564277 trlgG= -2.226622 logG= -0.655335 TDE= -4.396563 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038019 tlogG= -0.612476 logG= -0.650495 Density= 3.418942 ETOT(band)= -1.558325 trlgG= -2.219944 logG= -0.650495 TDE= -4.396372 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.037766 tlogG= -0.618952 logG= -0.656718 Density= 3.417258 ETOT(band)= -1.564737 trlgG= -2.229576 logG= -0.656718 TDE= -4.398388 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.037615 tlogG= -0.622578 logG= -0.660193 Density= 3.416261 ETOT(band)= -1.568424 trlgG= -2.236451 logG= -0.660193 TDE= -4.400965 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038076 tlogG= -0.612334 logG= -0.650410 Density= 3.419521 ETOT(band)= -1.557686 trlgG= -2.219383 logG= -0.650410 TDE= -4.396375 logGD-logG0= -0.037595 tlogG= -0.619956 logG= -0.657551 Density= 3.416556 ETOT(band)= -1.566306 trlgG= -2.230711 logG= -0.657551 TDE= -4.398111 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037741 tlogG= -0.619371 logG= -0.657112 Density= 3.417323 ETOT(band)= -1.565099 trlgG= -2.229800 logG= -0.657112 TDE= -4.398272 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037845 tlogG= -0.616999 logG= -0.654844 Density= 3.418248 ETOT(band)= -1.562502 trlgG= -2.225554 logG= -0.654844 TDE= -4.397060 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037656 tlogG= -0.619554 logG= -0.657210 Density= 3.416626 ETOT(band)= -1.565886 trlgG= -2.230675 logG= -0.657210 TDE= -4.398474 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037910 tlogG= -0.615200 logG= -0.653110 Density= 3.418180 ETOT(band)= -1.561077 trlgG= -2.224069 logG= -0.653110 TDE= -4.397252 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.037688 tlogG= -0.622161 logG= -0.659848 Density= 3.417294 ETOT(band)= -1.567359 trlgG= -2.233701 logG= -0.659848 TDE= -4.399413 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.037695 tlogG= -0.617317 logG= -0.655012 Density= 3.417002 ETOT(band)= -1.563888 trlgG= -2.226822 logG= -0.655012 TDE= -4.397130 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038247 tlogG= -0.609182 logG= -0.647429 Density= 3.420750 ETOT(band)= -1.554182 trlgG= -2.214245 logG= -0.647429 TDE= -4.395233 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037602 tlogG= -0.621801 logG= -0.659403 Density= 3.415898 ETOT(band)= -1.568223 trlgG= -2.235763 logG= -0.659403 TDE= -4.400765 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037706 tlogG= -0.619561 logG= -0.657266 Density= 3.417183 ETOT(band)= -1.565265 trlgG= -2.229560 logG= -0.657266 TDE= -4.397762 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037841 tlogG= -0.617356 logG= -0.655198 Density= 3.418476 ETOT(band)= -1.562700 trlgG= -2.225115 logG= -0.655198 TDE= -4.396455 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038115 tlogG= -0.609977 logG= -0.648092 Density= 3.420017 ETOT(band)= -1.555491 trlgG= -2.215316 logG= -0.648092 TDE= -4.395036 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037994 tlogG= -0.612939 logG= -0.650933 Density= 3.419180 ETOT(band)= -1.558530 trlgG= -2.219909 logG= -0.650933 TDE= -4.396096 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.037544 tlogG= -0.624797 logG= -0.662341 Density= 3.415666 ETOT(band)= -1.570609 trlgG= -2.241221 logG= -0.662341 TDE= -4.403094 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037853 tlogG= -0.616623 logG= -0.654477 Density= 3.418053 ETOT(band)= -1.562259 trlgG= -2.225635 logG= -0.654477 TDE= -4.397347 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037677 tlogG= -0.621547 logG= -0.659224 Density= 3.416710 ETOT(band)= -1.567176 trlgG= -2.234554 logG= -0.659224 TDE= -4.400407 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037752 tlogG= -0.619770 logG= -0.657522 Density= 3.417748 ETOT(band)= -1.565081 trlgG= -2.229219 logG= -0.657522 TDE= -4.397634 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037457 tlogG= -0.625262 logG= -0.662719 Density= 3.415437 ETOT(band)= -1.571199 trlgG= -2.240799 logG= -0.662719 TDE= -4.402105 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037484 tlogG= -0.622498 logG= -0.659982 Density= 3.415825 ETOT(band)= -1.568896 trlgG= -2.235533 logG= -0.659982 TDE= -4.399897 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.037983 tlogG= -0.610698 logG= -0.648681 Density= 3.419346 ETOT(band)= -1.556672 trlgG= -2.215433 logG= -0.648681 TDE= -4.394009 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037807 tlogG= -0.619970 logG= -0.657777 Density= 3.418375 ETOT(band)= -1.564848 trlgG= -2.228837 logG= -0.657777 TDE= -4.397515 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.037556 tlogG= -0.620183 logG= -0.657739 Density= 3.416143 ETOT(band)= -1.566899 trlgG= -2.231405 logG= -0.657739 TDE= -4.398275 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1022.09421185595 eV TrLogG= -1456.82754364874 eV Ratio to renormalize= 0.999838300411 rho-rho_expected= 0.026523021292 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 19) Finished k-point number 20 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 2) Finished k-point number 3 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 45) Finished k-point number 46 1 with #bands= 107 23) Finished k-point number 24 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.801717773402990 0.803113798361168 0.803047263407270 0.801290456023160 0.803642049567353 0.803006449110807 0.802014357056642 0.802979454271123 0.803152016887636 0.801930312955154 0.803181409652028 0.803053918053764 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.037666 tlogG= -0.625967 logG= -0.663633 Density= 3.416046 ETOT(band)= -1.571032 trlgG= -2.244318 logG= -0.663633 TDE= -4.405214 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.037459 tlogG= -0.625281 logG= -0.662740 Density= 3.415444 ETOT(band)= -1.571256 trlgG= -2.240878 logG= -0.662740 TDE= -4.402169 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037924 tlogG= -0.613114 logG= -0.651038 Density= 3.418569 ETOT(band)= -1.559257 trlgG= -2.220620 logG= -0.651038 TDE= -4.396197 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037457 tlogG= -0.627122 logG= -0.664579 Density= 3.415310 ETOT(band)= -1.572654 trlgG= -2.244375 logG= -0.664579 TDE= -4.403717 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=128 logGD-logG0= -0.037912 tlogG= -0.615219 logG= -0.653131 Density= 3.418190 ETOT(band)= -1.561132 trlgG= -2.224151 logG= -0.653131 TDE= -4.397322 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.037544 tlogG= -0.625136 logG= -0.662680 Density= 3.416033 ETOT(band)= -1.570626 trlgG= -2.240161 logG= -0.662680 TDE= -4.402000 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037597 tlogG= -0.619975 logG= -0.657572 Density= 3.416564 ETOT(band)= -1.566363 trlgG= -2.230789 logG= -0.657572 TDE= -4.398175 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037486 tlogG= -0.622517 logG= -0.660002 Density= 3.415833 ETOT(band)= -1.568953 trlgG= -2.235610 logG= -0.660002 TDE= -4.399960 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.037682 tlogG= -0.621895 logG= -0.659576 Density= 3.416986 ETOT(band)= -1.567364 trlgG= -2.234327 logG= -0.659576 TDE= -4.400057 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037743 tlogG= -0.619390 logG= -0.657133 Density= 3.417332 ETOT(band)= -1.565155 trlgG= -2.229879 logG= -0.657133 TDE= -4.398338 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037996 tlogG= -0.612957 logG= -0.650954 Density= 3.419191 ETOT(band)= -1.558584 trlgG= -2.219991 logG= -0.650954 TDE= -4.396166 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037842 tlogG= -0.615738 logG= -0.653580 Density= 3.417978 ETOT(band)= -1.561785 trlgG= -2.224513 logG= -0.653580 TDE= -4.397059 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037604 tlogG= -0.621820 logG= -0.659424 Density= 3.415906 ETOT(band)= -1.568280 trlgG= -2.235841 logG= -0.659424 TDE= -4.400830 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037633 tlogG= -0.624313 logG= -0.661946 Density= 3.415924 ETOT(band)= -1.570016 trlgG= -2.241094 logG= -0.661946 TDE= -4.403576 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037754 tlogG= -0.619789 logG= -0.657543 Density= 3.417757 ETOT(band)= -1.565137 trlgG= -2.229296 logG= -0.657543 TDE= -4.397697 logGD-logG0= -0.037558 tlogG= -0.623039 logG= -0.660597 Density= 3.416188 ETOT(band)= -1.568956 trlgG= -2.236478 logG= -0.660597 TDE= -4.400527 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.037689 tlogG= -0.622179 logG= -0.659869 Density= 3.417302 ETOT(band)= -1.567416 trlgG= -2.233778 logG= -0.659869 TDE= -4.399476 logGD-logG0= -0.037717 tlogG= -0.619769 logG= -0.657486 Density= 3.417438 ETOT(band)= -1.565446 trlgG= -2.229776 logG= -0.657486 TDE= -4.397970 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.037828 tlogG= -0.613704 logG= -0.651532 Density= 3.418185 ETOT(band)= -1.560101 trlgG= -2.220474 logG= -0.651532 TDE= -4.395239 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037776 tlogG= -0.616253 logG= -0.654029 Density= 3.417804 ETOT(band)= -1.562408 trlgG= -2.224408 logG= -0.654029 TDE= -4.396361 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037809 tlogG= -0.619988 logG= -0.657797 Density= 3.418383 ETOT(band)= -1.564904 trlgG= -2.228914 logG= -0.657797 TDE= -4.397578 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.037639 tlogG= -0.617717 logG= -0.655356 Density= 3.416959 ETOT(band)= -1.564333 trlgG= -2.226702 logG= -0.655356 TDE= -4.396630 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037542 tlogG= -0.622192 logG= -0.659734 Density= 3.415863 ETOT(band)= -1.568647 trlgG= -2.235763 logG= -0.659734 TDE= -4.400406 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037596 tlogG= -0.619944 logG= -0.657540 Density= 3.416019 ETOT(band)= -1.566828 trlgG= -2.231447 logG= -0.657540 TDE= -4.398413 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.037545 tlogG= -0.624816 logG= -0.662362 Density= 3.415674 ETOT(band)= -1.570666 trlgG= -2.241299 logG= -0.662362 TDE= -4.403159 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037559 tlogG= -0.626564 logG= -0.664123 Density= 3.415657 ETOT(band)= -1.571878 trlgG= -2.244746 logG= -0.664123 TDE= -4.404830 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.037600 tlogG= -0.624687 logG= -0.662288 Density= 3.416126 ETOT(band)= -1.570138 trlgG= -2.240705 logG= -0.662288 TDE= -4.403012 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.037757 tlogG= -0.616925 logG= -0.654682 Density= 3.417053 ETOT(band)= -1.563531 trlgG= -2.226776 logG= -0.654682 TDE= -4.397456 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037526 tlogG= -0.620449 logG= -0.657974 Density= 3.416290 ETOT(band)= -1.567069 trlgG= -2.231615 logG= -0.657974 TDE= -4.398371 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.037985 tlogG= -0.610716 logG= -0.648701 Density= 3.419357 ETOT(band)= -1.556725 trlgG= -2.215514 logG= -0.648701 TDE= -4.394079 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037843 tlogG= -0.617375 logG= -0.655218 Density= 3.418485 ETOT(band)= -1.562756 trlgG= -2.225194 logG= -0.655218 TDE= -4.396521 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037557 tlogG= -0.620202 logG= -0.657759 Density= 3.416151 ETOT(band)= -1.566956 trlgG= -2.231482 logG= -0.657759 TDE= -4.398338 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037658 tlogG= -0.619573 logG= -0.657231 Density= 3.416635 ETOT(band)= -1.565942 trlgG= -2.230753 logG= -0.657231 TDE= -4.398538 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038021 tlogG= -0.612495 logG= -0.650516 Density= 3.418953 ETOT(band)= -1.558380 trlgG= -2.220026 logG= -0.650516 TDE= -4.396443 logGD-logG0= -0.038078 tlogG= -0.612352 logG= -0.650430 Density= 3.419532 ETOT(band)= -1.557740 trlgG= -2.219464 logG= -0.650430 TDE= -4.396446 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037679 tlogG= -0.621566 logG= -0.659245 Density= 3.416719 ETOT(band)= -1.567232 trlgG= -2.234632 logG= -0.659245 TDE= -4.400472 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037847 tlogG= -0.617017 logG= -0.654864 Density= 3.418257 ETOT(band)= -1.562558 trlgG= -2.225634 logG= -0.654864 TDE= -4.397127 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037855 tlogG= -0.616642 logG= -0.654497 Density= 3.418062 ETOT(band)= -1.562315 trlgG= -2.225716 logG= -0.654497 TDE= -4.397415 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037617 tlogG= -0.622597 logG= -0.660214 Density= 3.416269 ETOT(band)= -1.568481 trlgG= -2.236530 logG= -0.660214 TDE= -4.401029 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037679 tlogG= -0.622137 logG= -0.659816 Density= 3.416398 ETOT(band)= -1.567956 trlgG= -2.236408 logG= -0.659816 TDE= -4.401413 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.037663 tlogG= -0.624211 logG= -0.661874 Density= 3.416255 ETOT(band)= -1.569591 trlgG= -2.240613 logG= -0.661874 TDE= -4.403441 logGD-logG0= -0.038117 tlogG= -0.609995 logG= -0.648112 Density= 3.420029 ETOT(band)= -1.555544 trlgG= -2.215397 logG= -0.648112 TDE= -4.395107 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037718 tlogG= -0.619129 logG= -0.656847 Density= 3.416719 ETOT(band)= -1.565463 trlgG= -2.230334 logG= -0.656847 TDE= -4.398572 logGD-logG0= -0.037918 tlogG= -0.613546 logG= -0.651464 Density= 3.418890 ETOT(band)= -1.559381 trlgG= -2.219788 logG= -0.651464 TDE= -4.395205 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037697 tlogG= -0.617335 logG= -0.655032 Density= 3.417011 ETOT(band)= -1.563944 trlgG= -2.226904 logG= -0.655032 TDE= -4.397198 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037707 tlogG= -0.619579 logG= -0.657287 Density= 3.417191 ETOT(band)= -1.565321 trlgG= -2.229637 logG= -0.657287 TDE= -4.397826 logGD-logG0= -0.038249 tlogG= -0.609200 logG= -0.647449 Density= 3.420762 ETOT(band)= -1.554235 trlgG= -2.214324 logG= -0.647449 TDE= -4.395304 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037768 tlogG= -0.618971 logG= -0.656739 Density= 3.417267 ETOT(band)= -1.564793 trlgG= -2.229656 logG= -0.656739 TDE= -4.398455 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 Sum of eigenvalues= -1022.13073286955 eV TrLogG= -1456.88407685528 eV Ratio to renormalize= 0.999835707132 rho-rho_expected= 0.026948457832 nargs= 1 argi=dmft2.def 11) Finished k-point number 12 1 with #bands= 107 8) Finished k-point number 9 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 107 5) Finished k-point number 6 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 34) Finished k-point number 35 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 19) Finished k-point number 20 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 32) Finished k-point number 33 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.801210442165634 0.803239249383360 0.803032271686402 0.800781560260387 0.803769711801228 0.802992937167316 0.801502089438149 0.803104306728584 0.803136129622617 0.801411029464793 0.803305367812621 0.803039257653303 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.037867 tlogG= -0.613499 logG= -0.651366 Density= 3.418452 ETOT(band)= -1.559960 trlgG= -2.221742 logG= -0.651366 TDE= -4.396894 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037607 tlogG= -0.626374 logG= -0.663980 Density= 3.415893 ETOT(band)= -1.571780 trlgG= -2.245440 logG= -0.663980 TDE= -4.405862 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.037465 tlogG= -0.620842 logG= -0.658307 Density= 3.416130 ETOT(band)= -1.567810 trlgG= -2.232738 logG= -0.658307 TDE= -4.399030 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.037770 tlogG= -0.614089 logG= -0.651860 Density= 3.418060 ETOT(band)= -1.560809 trlgG= -2.221603 logG= -0.651860 TDE= -4.395938 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.037537 tlogG= -0.620369 logG= -0.657906 Density= 3.416413 ETOT(band)= -1.567098 trlgG= -2.231902 logG= -0.657906 TDE= -4.398828 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.037498 tlogG= -0.623439 logG= -0.660937 Density= 3.416032 ETOT(band)= -1.569699 trlgG= -2.237598 logG= -0.660937 TDE= -4.401178 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037658 tlogG= -0.620163 logG= -0.657820 Density= 3.417294 ETOT(band)= -1.566173 trlgG= -2.230881 logG= -0.657820 TDE= -4.398621 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037573 tlogG= -0.624716 logG= -0.662290 Density= 3.415769 ETOT(band)= -1.570762 trlgG= -2.242210 logG= -0.662290 TDE= -4.404220 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037579 tlogG= -0.618107 logG= -0.655686 Density= 3.416811 ETOT(band)= -1.565062 trlgG= -2.227832 logG= -0.655686 TDE= -4.397307 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037544 tlogG= -0.622217 logG= -0.659762 Density= 3.415749 ETOT(band)= -1.569023 trlgG= -2.236944 logG= -0.659762 TDE= -4.401466 logGD-logG0= -0.037718 tlogG= -0.616642 logG= -0.654360 Density= 3.417670 ETOT(band)= -1.563125 trlgG= -2.225542 logG= -0.654360 TDE= -4.397054 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.037536 tlogG= -0.620337 logG= -0.657873 Density= 3.415862 ETOT(band)= -1.567567 trlgG= -2.232546 logG= -0.657873 TDE= -4.399050 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038022 tlogG= -0.612737 logG= -0.650759 Density= 3.419433 ETOT(band)= -1.558429 trlgG= -2.220576 logG= -0.650759 TDE= -4.397146 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.037685 tlogG= -0.619783 logG= -0.657468 Density= 3.417192 ETOT(band)= -1.565880 trlgG= -2.230994 logG= -0.657468 TDE= -4.399002 logGD-logG0= -0.037784 tlogG= -0.616127 logG= -0.653911 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 Density= 3.417850 ETOT(band)= -1.562497 trlgG= -2.225651 logG= -0.653911 TDE= -4.397760 logGD-logG0= -0.037499 tlogG= -0.626971 logG= -0.664470 Density= 3.415499 ETOT(band)= -1.572630 trlgG= -2.245872 logG= -0.664470 TDE= -4.405479 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037799 tlogG= -0.617030 logG= -0.654829 Density= 3.417937 ETOT(band)= -1.563025 trlgG= -2.226832 logG= -0.654829 TDE= -4.398095 logGD-logG0= -0.037484 tlogG= -0.625539 logG= -0.663023 Density= 3.415875 ETOT(band)= -1.571373 trlgG= -2.241286 logG= -0.663023 TDE= -4.402650 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037598 tlogG= -0.619967 logG= -0.657566 Density= 3.416487 ETOT(band)= -1.566675 trlgG= -2.231862 logG= -0.657566 TDE= -4.399190 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037396 tlogG= -0.627530 logG= -0.664925 Density= 3.415147 ETOT(band)= -1.573410 trlgG= -2.245506 logG= -0.664925 TDE= -4.404366 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.037623 tlogG= -0.622291 logG= -0.659914 Density= 3.416839 ETOT(band)= -1.568096 trlgG= -2.235423 logG= -0.659914 TDE= -4.400694 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037710 tlogG= -0.619364 logG= -0.657074 Density= 3.417130 ETOT(band)= -1.565516 trlgG= -2.230773 logG= -0.657074 TDE= -4.399124 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.037398 tlogG= -0.625684 logG= -0.663082 Density= 3.415281 ETOT(band)= -1.572009 trlgG= -2.242010 logG= -0.663082 TDE= -4.402824 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037698 tlogG= -0.617316 logG= -0.655014 Density= 3.416913 ETOT(band)= -1.564255 trlgG= -2.227908 logG= -0.655014 TDE= -4.398140 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.037497 tlogG= -0.620595 logG= -0.658092 Density= 3.415993 ETOT(band)= -1.567696 trlgG= -2.232584 logG= -0.658092 TDE= -4.398977 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037789 tlogG= -0.617406 logG= -0.655195 Density= 3.418128 ETOT(band)= -1.563270 trlgG= -2.226748 logG= -0.655195 TDE= -4.397803 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037630 tlogG= -0.622576 logG= -0.660206 Density= 3.417153 ETOT(band)= -1.568148 trlgG= -2.234884 logG= -0.660206 TDE= -4.400122 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.037640 tlogG= -0.617726 logG= -0.655366 Density= 3.416865 ETOT(band)= -1.564671 trlgG= -2.228036 logG= -0.655366 TDE= -4.397876 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.037965 tlogG= -0.612880 logG= -0.650845 Density= 3.418844 ETOT(band)= -1.559077 trlgG= -2.221144 logG= -0.650845 TDE= -4.397142 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038195 tlogG= -0.609581 logG= -0.647776 Density= 3.420687 ETOT(band)= -1.554904 trlgG= -2.215412 logG= -0.647776 TDE= -4.396002 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037485 tlogG= -0.625220 logG= -0.662705 Density= 3.415515 ETOT(band)= -1.571416 trlgG= -2.242418 logG= -0.662705 TDE= -4.403803 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037619 tlogG= -0.622537 logG= -0.660156 Density= 3.416250 ETOT(band)= -1.568693 trlgG= -2.237513 logG= -0.660156 TDE= -4.402055 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.037604 tlogG= -0.624614 logG= -0.662218 Density= 3.416105 ETOT(band)= -1.570333 trlgG= -2.241726 logG= -0.662218 TDE= -4.404086 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.037620 tlogG= -0.621962 logG= -0.659583 Density= 3.416574 ETOT(band)= -1.567963 trlgG= -2.235729 logG= -0.659583 TDE= -4.401112 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037750 tlogG= -0.620380 logG= -0.658130 Density= 3.418241 ETOT(band)= -1.565626 trlgG= -2.230010 logG= -0.658130 TDE= -4.398224 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.037929 tlogG= -0.611097 logG= -0.649026 Density= 3.419254 ETOT(band)= -1.557413 trlgG= -2.216616 logG= -0.649026 TDE= -4.394772 logGD-logG0= -0.037855 tlogG= -0.615608 logG= -0.653463 Density= 3.418069 ETOT(band)= -1.561841 trlgG= -2.225286 logG= -0.653463 TDE= -4.398025 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.037659 tlogG= -0.619524 logG= -0.657183 Density= 3.416575 ETOT(band)= -1.566194 trlgG= -2.231444 logG= -0.657183 TDE= -4.399227 logGD-logG0= -0.037482 tlogG= -0.622589 logG= -0.660071 Density= 3.415703 ETOT(band)= -1.569392 trlgG= -2.236869 logG= -0.660071 TDE= -4.401044 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.037861 tlogG= -0.613930 logG= -0.651791 Density= 3.418773 ETOT(band)= -1.560081 trlgG= -2.220910 logG= -0.651791 TDE= -4.395903 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038062 tlogG= -0.610376 logG= -0.648438 Density= 3.419939 ETOT(band)= -1.556224 trlgG= -2.216493 logG= -0.648438 TDE= -4.395803 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037696 tlogG= -0.620180 logG= -0.657876 Density= 3.417616 ETOT(band)= -1.565859 trlgG= -2.230382 logG= -0.657876 TDE= -4.398333 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037650 tlogG= -0.619970 logG= -0.657620 Density= 3.417051 ETOT(band)= -1.566043 trlgG= -2.230730 logG= -0.657620 TDE= -4.398470 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037557 tlogG= -0.622996 logG= -0.660554 Density= 3.416117 ETOT(band)= -1.569221 trlgG= -2.237639 logG= -0.660554 TDE= -4.401672 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.037425 tlogG= -0.622915 logG= -0.660339 Density= 3.415670 ETOT(band)= -1.569700 trlgG= -2.236740 logG= -0.660339 TDE= -4.400618 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.037940 tlogG= -0.613342 logG= -0.651282 Density= 3.419082 ETOT(band)= -1.559279 trlgG= -2.221108 logG= -0.651282 TDE= -4.396865 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=118 logGD-logG0= -0.037785 tlogG= -0.617764 logG= -0.655549 Density= 3.418352 ETOT(band)= -1.563470 trlgG= -2.226305 logG= -0.655549 TDE= -4.397191 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037541 tlogG= -0.625090 logG= -0.662631 Density= 3.415972 ETOT(band)= -1.570882 trlgG= -2.241820 logG= -0.662631 TDE= -4.403656 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 Sum of eigenvalues= -1022.60463517656 eV TrLogG= -1457.53646684376 eV Ratio to renormalize= 0.999876540571 rho-rho_expected= 0.020249846427 nargs= 1 argi=dmft2.def 4) Finished k-point number 5 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 9) Finished k-point number 10 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 39) Finished k-point number 40 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.801131962002367 0.803168730749015 0.802966278910547 0.800703015381448 0.803699370002293 0.802926824304937 0.801424187371845 0.803033380742306 0.803069944382886 0.801333150595283 0.803234040595029 0.802973610630812 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038404 tlogG= -0.616053 logG= -0.654457 Density= 3.418455 ETOT(band)= -1.561709 trlgG= -2.225412 logG= -0.654457 TDE= -4.397475 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038280 tlogG= -0.620088 logG= -0.658368 Density= 3.417974 ETOT(band)= -1.565331 trlgG= -2.230601 logG= -0.658368 TDE= -4.398356 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038298 tlogG= -0.619710 logG= -0.658008 Density= 3.417818 ETOT(band)= -1.565069 trlgG= -2.230747 logG= -0.658008 TDE= -4.398733 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038077 tlogG= -0.626904 logG= -0.664981 Density= 3.415980 ETOT(band)= -1.571901 trlgG= -2.245718 logG= -0.664981 TDE= -4.405211 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038101 tlogG= -0.623368 logG= -0.661469 Density= 3.416656 ETOT(band)= -1.568884 trlgG= -2.237356 logG= -0.661469 TDE= -4.400919 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038129 tlogG= -0.622150 logG= -0.660280 Density= 3.416298 ETOT(band)= -1.568244 trlgG= -2.236741 logG= -0.660280 TDE= -4.401198 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038492 tlogG= -0.613425 logG= -0.651917 Density= 3.419016 ETOT(band)= -1.559209 trlgG= -2.221541 logG= -0.651917 TDE= -4.396608 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038148 tlogG= -0.624650 logG= -0.662798 Density= 3.416231 ETOT(band)= -1.570042 trlgG= -2.242068 logG= -0.662798 TDE= -4.403952 logGD-logG0= -0.037983 tlogG= -0.627462 logG= -0.665445 Density= 3.415700 ETOT(band)= -1.572638 trlgG= -2.245302 logG= -0.665445 TDE= -4.404100 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038581 tlogG= -0.611018 logG= -0.649599 Density= 3.419879 ETOT(band)= -1.556643 trlgG= -2.216388 logG= -0.649599 TDE= -4.394487 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038147 tlogG= -0.620298 logG= -0.658445 Density= 3.417066 ETOT(band)= -1.566267 trlgG= -2.231639 logG= -0.658445 TDE= -4.398566 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038067 tlogG= -0.620773 logG= -0.658840 Density= 3.416784 ETOT(band)= -1.566973 trlgG= -2.232480 logG= -0.658840 TDE= -4.398779 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.038314 tlogG= -0.619292 logG= -0.657606 Density= 3.417697 ETOT(band)= -1.564739 trlgG= -2.230564 logG= -0.657606 TDE= -4.398851 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038300 tlogG= -0.617246 logG= -0.655545 Density= 3.417491 ETOT(band)= -1.563470 trlgG= -2.227681 logG= -0.655545 TDE= -4.397859 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038130 tlogG= -0.620269 logG= -0.658399 Density= 3.416478 ETOT(band)= -1.566745 trlgG= -2.232303 logG= -0.658399 TDE= -4.398790 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038421 tlogG= -0.617686 logG= -0.656108 Density= 3.419060 ETOT(band)= -1.562620 trlgG= -2.226007 logG= -0.656108 TDE= -4.396921 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038073 tlogG= -0.622522 logG= -0.660594 Density= 3.416289 ETOT(band)= -1.568594 trlgG= -2.236643 logG= -0.660594 TDE= -4.400778 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038700 tlogG= -0.610299 logG= -0.648999 Density= 3.420408 ETOT(band)= -1.555559 trlgG= -2.216380 logG= -0.648999 TDE= -4.395517 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038176 tlogG= -0.626308 logG= -0.664484 Density= 3.416298 ETOT(band)= -1.571098 trlgG= -2.245341 logG= -0.664484 TDE= -4.405594 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038415 tlogG= -0.616956 logG= -0.655371 Density= 3.418520 ETOT(band)= -1.562248 trlgG= -2.226613 logG= -0.655371 TDE= -4.397816 logGD-logG0= -0.038263 tlogG= -0.619897 logG= -0.658160 Density= 3.417697 ETOT(band)= -1.565215 trlgG= -2.230472 logG= -0.658160 TDE= -4.398206 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038406 tlogG= -0.614013 logG= -0.652420 Density= 3.418729 ETOT(band)= -1.559990 trlgG= -2.221330 logG= -0.652420 TDE= -4.395657 logGD-logG0= -0.038131 tlogG= -0.625021 logG= -0.663152 Density= 3.416512 ETOT(band)= -1.570118 trlgG= -2.241627 logG= -0.663152 TDE= -4.403388 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038254 tlogG= -0.619454 logG= -0.657708 Density= 3.417130 ETOT(band)= -1.565419 trlgG= -2.231244 logG= -0.657708 TDE= -4.398960 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038318 tlogG= -0.620105 logG= -0.658422 Density= 3.418291 ETOT(band)= -1.565019 trlgG= -2.230111 logG= -0.658422 TDE= -4.398074 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038818 tlogG= -0.609506 logG= -0.648324 Density= 3.420976 ETOT(band)= -1.554361 trlgG= -2.215435 logG= -0.648324 TDE= -4.395716 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038021 tlogG= -0.622846 logG= -0.660867 Density= 3.416289 ETOT(band)= -1.568884 trlgG= -2.236502 logG= -0.660867 TDE= -4.400364 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038220 tlogG= -0.621891 logG= -0.660111 Density= 3.417151 ETOT(band)= -1.567174 trlgG= -2.235512 logG= -0.660111 TDE= -4.400844 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038574 tlogG= -0.613265 logG= -0.651839 Density= 3.419649 ETOT(band)= -1.558533 trlgG= -2.220910 logG= -0.651839 TDE= -4.396580 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038095 tlogG= -0.620527 logG= -0.658622 Density= 3.416628 ETOT(band)= -1.566867 trlgG= -2.232330 logG= -0.658622 TDE= -4.398718 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038247 tlogG= -0.622502 logG= -0.660749 Density= 3.417810 ETOT(band)= -1.567320 trlgG= -2.234625 logG= -0.660749 TDE= -4.399864 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038507 tlogG= -0.613852 logG= -0.652358 Density= 3.419454 ETOT(band)= -1.559261 trlgG= -2.220633 logG= -0.652358 TDE= -4.395621 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038231 tlogG= -0.622218 logG= -0.660449 Density= 3.417460 ETOT(band)= -1.567285 trlgG= -2.235178 logG= -0.660449 TDE= -4.400427 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038152 tlogG= -0.622927 logG= -0.661079 Density= 3.416687 ETOT(band)= -1.568437 trlgG= -2.237426 logG= -0.661079 TDE= -4.401406 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038185 tlogG= -0.624546 logG= -0.662731 Density= 3.416582 ETOT(band)= -1.569605 trlgG= -2.241577 logG= -0.662731 TDE= -4.403818 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038380 tlogG= -0.620304 logG= -0.658683 Density= 3.418939 ETOT(band)= -1.564779 trlgG= -2.229734 logG= -0.658683 TDE= -4.397971 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038348 tlogG= -0.616567 logG= -0.654915 Density= 3.418356 ETOT(band)= -1.562287 trlgG= -2.225254 logG= -0.654915 TDE= -4.396778 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038206 tlogG= -0.622468 logG= -0.660674 Density= 3.416762 ETOT(band)= -1.567943 trlgG= -2.237340 logG= -0.660674 TDE= -4.401787 logGD-logG0= -0.038465 tlogG= -0.615535 logG= -0.654000 Density= 3.418589 ETOT(band)= -1.561105 trlgG= -2.225108 logG= -0.654000 TDE= -4.397739 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.038083 tlogG= -0.625468 logG= -0.663551 Density= 3.416473 ETOT(band)= -1.570576 trlgG= -2.241058 logG= -0.663551 TDE= -4.402388 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038416 tlogG= -0.617330 logG= -0.655746 Density= 3.418777 ETOT(band)= -1.562454 trlgG= -2.226484 logG= -0.655746 TDE= -4.397525 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038248 tlogG= -0.617655 logG= -0.655903 Density= 3.417485 ETOT(band)= -1.563861 trlgG= -2.227780 logG= -0.655903 TDE= -4.397596 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.037988 tlogG= -0.625616 logG= -0.663605 Density= 3.415858 ETOT(band)= -1.571221 trlgG= -2.241795 logG= -0.663605 TDE= -4.402564 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038643 tlogG= -0.612662 logG= -0.651305 Density= 3.419874 ETOT(band)= -1.557766 trlgG= -2.220472 logG= -0.651305 TDE= -4.396861 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038067 tlogG= -0.625153 logG= -0.663220 Density= 3.416036 ETOT(band)= -1.570660 trlgG= -2.242235 logG= -0.663220 TDE= -4.403535 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038194 tlogG= -0.618035 logG= -0.656230 Density= 3.417480 ETOT(band)= -1.564224 trlgG= -2.227551 logG= -0.656230 TDE= -4.397036 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038579 tlogG= -0.612807 logG= -0.651386 Density= 3.419304 ETOT(band)= -1.558393 trlgG= -2.221019 logG= -0.651386 TDE= -4.396856 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038201 tlogG= -0.619897 logG= -0.658098 Density= 3.417090 ETOT(band)= -1.565872 trlgG= -2.231631 logG= -0.658098 TDE= -4.398926 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1022.09507009973 eV TrLogG= -1457.71006523704 eV Ratio to renormalize= 0.999706398085 rho-rho_expected= 0.048164855413 nargs= 1 argi=dmft2.def 11) Finished k-point number 12 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 19) Finished k-point number 20 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 10) Finished k-point number 11 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 2) Finished k-point number 3 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 44) Finished k-point number 45 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.801152383729427 0.803190141947522 0.802979243976931 0.800723409590998 0.803720633715994 0.802939854244171 0.801444390788449 0.803054898524788 0.803082918461743 0.801353353497261 0.803255558564332 0.802986684701902 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038181 tlogG= -0.626303 logG= -0.664484 Density= 3.416317 ETOT(band)= -1.571110 trlgG= -2.245353 logG= -0.664484 TDE= -4.405622 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.037989 tlogG= -0.627456 logG= -0.665445 Density= 3.415719 ETOT(band)= -1.572650 trlgG= -2.245315 logG= -0.665445 TDE= -4.404128 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=126 logGD-logG0= -0.038286 tlogG= -0.620083 logG= -0.658368 Density= 3.417993 ETOT(band)= -1.565343 trlgG= -2.230613 logG= -0.658368 TDE= -4.398383 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038135 tlogG= -0.622144 logG= -0.660279 Density= 3.416317 ETOT(band)= -1.568256 trlgG= -2.236753 logG= -0.660279 TDE= -4.401226 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038579 tlogG= -0.613258 logG= -0.651838 Density= 3.419669 ETOT(band)= -1.558543 trlgG= -2.220925 logG= -0.651838 TDE= -4.396612 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038154 tlogG= -0.624645 logG= -0.662798 Density= 3.416250 ETOT(band)= -1.570054 trlgG= -2.242081 logG= -0.662798 TDE= -4.403980 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038089 tlogG= -0.625463 logG= -0.663552 Density= 3.416492 ETOT(band)= -1.570588 trlgG= -2.241070 logG= -0.663552 TDE= -4.402415 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038412 tlogG= -0.614007 logG= -0.652419 Density= 3.418749 ETOT(band)= -1.560000 trlgG= -2.221344 logG= -0.652419 TDE= -4.395688 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038152 tlogG= -0.620292 logG= -0.658445 Density= 3.417084 ETOT(band)= -1.566279 trlgG= -2.231650 logG= -0.658445 TDE= -4.398592 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038303 tlogG= -0.619704 logG= -0.658008 Density= 3.417837 ETOT(band)= -1.565081 trlgG= -2.230759 logG= -0.658008 TDE= -4.398761 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038190 tlogG= -0.624541 logG= -0.662731 Density= 3.416601 ETOT(band)= -1.569617 trlgG= -2.241589 logG= -0.662731 TDE= -4.403846 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038136 tlogG= -0.620263 logG= -0.658399 Density= 3.416497 ETOT(band)= -1.566757 trlgG= -2.232313 logG= -0.658399 TDE= -4.398816 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038237 tlogG= -0.622213 logG= -0.660449 Density= 3.417478 ETOT(band)= -1.567297 trlgG= -2.235190 logG= -0.660449 TDE= -4.400454 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038512 tlogG= -0.613845 logG= -0.652358 Density= 3.419474 ETOT(band)= -1.559272 trlgG= -2.220647 logG= -0.652358 TDE= -4.395652 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038354 tlogG= -0.616561 logG= -0.654914 Density= 3.418376 ETOT(band)= -1.562298 trlgG= -2.225267 logG= -0.654914 TDE= -4.396808 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038073 tlogG= -0.625147 logG= -0.663220 Density= 3.416054 ETOT(band)= -1.570673 trlgG= -2.242248 logG= -0.663220 TDE= -4.403563 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038073 tlogG= -0.620768 logG= -0.658840 Density= 3.416802 ETOT(band)= -1.566985 trlgG= -2.232489 logG= -0.658840 TDE= -4.398803 logGD-logG0= -0.038107 tlogG= -0.623363 logG= -0.661470 Density= 3.416674 ETOT(band)= -1.568897 trlgG= -2.237366 logG= -0.661470 TDE= -4.400945 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038200 tlogG= -0.618029 logG= -0.656229 Density= 3.417499 ETOT(band)= -1.564235 trlgG= -2.227564 logG= -0.656229 TDE= -4.397065 logGD-logG0= -0.038585 tlogG= -0.612800 logG= -0.651385 Density= 3.419324 ETOT(band)= -1.558404 trlgG= -2.221034 logG= -0.651385 TDE= -4.396888 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038422 tlogG= -0.617324 logG= -0.655746 Density= 3.418796 ETOT(band)= -1.562465 trlgG= -2.226498 logG= -0.655746 TDE= -4.397555 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038410 tlogG= -0.616047 logG= -0.654457 Density= 3.418475 ETOT(band)= -1.561720 trlgG= -2.225427 logG= -0.654457 TDE= -4.397507 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038260 tlogG= -0.619448 logG= -0.657708 Density= 3.417149 ETOT(band)= -1.565430 trlgG= -2.231255 logG= -0.657708 TDE= -4.398988 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038083 tlogG= -0.626899 logG= -0.664982 Density= 3.415999 ETOT(band)= -1.571914 trlgG= -2.245731 logG= -0.664982 TDE= -4.405239 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038706 tlogG= -0.610292 logG= -0.648998 Density= 3.420429 ETOT(band)= -1.555568 trlgG= -2.216394 logG= -0.648998 TDE= -4.395549 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038252 tlogG= -0.622497 logG= -0.660749 Density= 3.417829 ETOT(band)= -1.567332 trlgG= -2.234636 logG= -0.660749 TDE= -4.399889 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038649 tlogG= -0.612655 logG= -0.651304 Density= 3.419894 ETOT(band)= -1.557776 trlgG= -2.220487 logG= -0.651304 TDE= -4.396893 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038498 tlogG= -0.613418 logG= -0.651916 Density= 3.419036 ETOT(band)= -1.559219 trlgG= -2.221556 logG= -0.651916 TDE= -4.396641 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038427 tlogG= -0.617680 logG= -0.656108 Density= 3.419079 ETOT(band)= -1.562632 trlgG= -2.226020 logG= -0.656108 TDE= -4.396949 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038078 tlogG= -0.622516 logG= -0.660594 Density= 3.416307 ETOT(band)= -1.568606 trlgG= -2.236655 logG= -0.660594 TDE= -4.400805 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038323 tlogG= -0.620099 logG= -0.658422 Density= 3.418309 ETOT(band)= -1.565031 trlgG= -2.230121 logG= -0.658422 TDE= -4.398099 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038027 tlogG= -0.622841 logG= -0.660868 Density= 3.416307 ETOT(band)= -1.568897 trlgG= -2.236512 logG= -0.660868 TDE= -4.400389 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038320 tlogG= -0.619286 logG= -0.657606 Density= 3.417716 ETOT(band)= -1.564750 trlgG= -2.230576 logG= -0.657606 TDE= -4.398880 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038305 tlogG= -0.617239 logG= -0.655545 Density= 3.417510 ETOT(band)= -1.563481 trlgG= -2.227695 logG= -0.655545 TDE= -4.397890 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.037994 tlogG= -0.625611 logG= -0.663605 Density= 3.415876 ETOT(band)= -1.571233 trlgG= -2.241806 logG= -0.663605 TDE= -4.402590 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038212 tlogG= -0.622462 logG= -0.660674 Density= 3.416781 ETOT(band)= -1.567955 trlgG= -2.237352 logG= -0.660674 TDE= -4.401815 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038225 tlogG= -0.621885 logG= -0.660111 Density= 3.417170 ETOT(band)= -1.567186 trlgG= -2.235524 logG= -0.660111 TDE= -4.400872 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038101 tlogG= -0.620521 logG= -0.658622 Density= 3.416646 ETOT(band)= -1.566879 trlgG= -2.232341 logG= -0.658622 TDE= -4.398744 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038137 tlogG= -0.625016 logG= -0.663152 Density= 3.416530 ETOT(band)= -1.570130 trlgG= -2.241639 logG= -0.663152 TDE= -4.403416 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038254 tlogG= -0.617649 logG= -0.655903 Density= 3.417504 ETOT(band)= -1.563873 trlgG= -2.227795 logG= -0.655903 TDE= -4.397626 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.038824 tlogG= -0.609498 logG= -0.648323 Density= 3.420998 ETOT(band)= -1.554370 trlgG= -2.215448 logG= -0.648323 TDE= -4.395748 logGD-logG0= -0.038269 tlogG= -0.619891 logG= -0.658159 Density= 3.417716 ETOT(band)= -1.565227 trlgG= -2.230482 logG= -0.658159 TDE= -4.398232 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038158 tlogG= -0.622921 logG= -0.661079 Density= 3.416706 ETOT(band)= -1.568449 trlgG= -2.237438 logG= -0.661079 TDE= -4.401433 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038587 tlogG= -0.611011 logG= -0.649598 Density= 3.419900 ETOT(band)= -1.556653 trlgG= -2.216402 logG= -0.649598 TDE= -4.394519 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038386 tlogG= -0.620298 logG= -0.658683 Density= 3.418957 ETOT(band)= -1.564791 trlgG= -2.229743 logG= -0.658683 TDE= -4.397995 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038421 tlogG= -0.616950 logG= -0.655371 Density= 3.418539 ETOT(band)= -1.562259 trlgG= -2.226627 logG= -0.655371 TDE= -4.397846 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038206 tlogG= -0.619891 logG= -0.658097 Density= 3.417109 ETOT(band)= -1.565884 trlgG= -2.231642 logG= -0.658097 TDE= -4.398953 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038471 tlogG= -0.615529 logG= -0.653999 Density= 3.418609 ETOT(band)= -1.561116 trlgG= -2.225123 logG= -0.653999 TDE= -4.397772 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 Sum of eigenvalues= -1022.10257929241 eV TrLogG= -1457.72854060522 eV Ratio to renormalize= 0.999700822236 rho-rho_expected= 0.049079836962 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 36) Finished k-point number 37 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 37) Finished k-point number 38 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 3) Finished k-point number 4 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 2) Finished k-point number 3 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.801083307655353 0.803115081762835 0.802954310126811 0.800654584306346 0.803646469170844 0.802914387150308 0.801375808618112 0.802979603199726 0.803057587727479 0.801285201192661 0.803182200534188 0.802959784781457 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038267 tlogG= -0.620158 logG= -0.658425 Density= 3.417935 ETOT(band)= -1.565415 trlgG= -2.230742 logG= -0.658425 TDE= -4.398407 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038163 tlogG= -0.626377 logG= -0.664540 Density= 3.416261 ETOT(band)= -1.571180 trlgG= -2.245479 logG= -0.664540 TDE= -4.405645 logGD-logG0= -0.037976 tlogG= -0.625685 logG= -0.663661 Density= 3.415821 ETOT(band)= -1.571302 trlgG= -2.241936 logG= -0.663661 TDE= -4.402617 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038193 tlogG= -0.622538 logG= -0.660732 Density= 3.416724 ETOT(band)= -1.568026 trlgG= -2.237481 logG= -0.660732 TDE= -4.401839 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038234 tlogG= -0.622571 logG= -0.660805 Density= 3.417772 ETOT(band)= -1.567402 trlgG= -2.234768 logG= -0.660805 TDE= -4.399919 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038065 tlogG= -0.626973 logG= -0.665037 Density= 3.415942 ETOT(band)= -1.571983 trlgG= -2.245856 logG= -0.665037 TDE= -4.405261 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.037971 tlogG= -0.627530 logG= -0.665500 Density= 3.415662 ETOT(band)= -1.572719 trlgG= -2.245440 logG= -0.665500 TDE= -4.404150 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038394 tlogG= -0.614085 logG= -0.652479 Density= 3.418687 ETOT(band)= -1.560077 trlgG= -2.221469 logG= -0.652479 TDE= -4.395703 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038117 tlogG= -0.622220 logG= -0.660337 Density= 3.416261 ETOT(band)= -1.568327 trlgG= -2.236880 logG= -0.660337 TDE= -4.401250 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038287 tlogG= -0.617317 logG= -0.655604 Density= 3.417452 ETOT(band)= -1.563554 trlgG= -2.227817 logG= -0.655604 TDE= -4.397904 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038136 tlogG= -0.624720 logG= -0.662855 Density= 3.416194 ETOT(band)= -1.570124 trlgG= -2.242207 logG= -0.662855 TDE= -4.404003 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038134 tlogG= -0.620368 logG= -0.658502 Density= 3.417027 ETOT(band)= -1.566350 trlgG= -2.231782 logG= -0.658502 TDE= -4.398620 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038118 tlogG= -0.620339 logG= -0.658457 Density= 3.416441 ETOT(band)= -1.566828 trlgG= -2.232447 logG= -0.658457 TDE= -4.398845 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038219 tlogG= -0.622288 logG= -0.660506 Density= 3.417422 ETOT(band)= -1.567367 trlgG= -2.235318 logG= -0.660506 TDE= -4.400478 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038071 tlogG= -0.625537 logG= -0.663607 Density= 3.416435 ETOT(band)= -1.570657 trlgG= -2.241198 logG= -0.663607 TDE= -4.402441 logGD-logG0= -0.038055 tlogG= -0.620843 logG= -0.658898 Density= 3.416748 ETOT(band)= -1.567054 trlgG= -2.232625 logG= -0.658898 TDE= -4.398837 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038805 tlogG= -0.609580 logG= -0.648385 Density= 3.420931 ETOT(band)= -1.554452 trlgG= -2.215576 logG= -0.648385 TDE= -4.395760 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038285 tlogG= -0.619781 logG= -0.658066 Density= 3.417779 ETOT(band)= -1.565153 trlgG= -2.230888 logG= -0.658066 TDE= -4.398783 logGD-logG0= -0.038402 tlogG= -0.617028 logG= -0.655430 Density= 3.418480 ETOT(band)= -1.562333 trlgG= -2.226752 logG= -0.655430 TDE= -4.397862 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038452 tlogG= -0.615607 logG= -0.654059 Density= 3.418549 ETOT(band)= -1.561192 trlgG= -2.225244 logG= -0.654059 TDE= -4.397782 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=119 logGD-logG0= -0.038479 tlogG= -0.613497 logG= -0.651977 Density= 3.418974 ETOT(band)= -1.559296 trlgG= -2.221677 logG= -0.651977 TDE= -4.396651 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038566 tlogG= -0.612880 logG= -0.651446 Density= 3.419262 ETOT(band)= -1.558481 trlgG= -2.221157 logG= -0.651446 TDE= -4.396899 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038335 tlogG= -0.616638 logG= -0.654973 Density= 3.418316 ETOT(band)= -1.562372 trlgG= -2.225392 logG= -0.654973 TDE= -4.396825 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038089 tlogG= -0.623437 logG= -0.661526 Density= 3.416618 ETOT(band)= -1.568967 trlgG= -2.237498 logG= -0.661526 TDE= -4.400973 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038367 tlogG= -0.620373 logG= -0.658741 Density= 3.418901 ETOT(band)= -1.564861 trlgG= -2.229880 logG= -0.658741 TDE= -4.398029 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038242 tlogG= -0.619525 logG= -0.657767 Density= 3.417091 ETOT(band)= -1.565503 trlgG= -2.231387 logG= -0.657767 TDE= -4.399013 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038630 tlogG= -0.612735 logG= -0.651365 Density= 3.419831 ETOT(band)= -1.557855 trlgG= -2.220610 logG= -0.651365 TDE= -4.396904 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038391 tlogG= -0.616125 logG= -0.654516 Density= 3.418415 ETOT(band)= -1.561795 trlgG= -2.225547 logG= -0.654516 TDE= -4.397518 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038118 tlogG= -0.625090 logG= -0.663209 Density= 3.416474 ETOT(band)= -1.570200 trlgG= -2.241765 logG= -0.663209 TDE= -4.403439 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038207 tlogG= -0.621961 logG= -0.660168 Density= 3.417113 ETOT(band)= -1.567258 trlgG= -2.235654 logG= -0.660168 TDE= -4.400896 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038250 tlogG= -0.619967 logG= -0.658218 Density= 3.417658 ETOT(band)= -1.565299 trlgG= -2.230618 logG= -0.658218 TDE= -4.398262 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038236 tlogG= -0.617726 logG= -0.655962 Density= 3.417446 ETOT(band)= -1.563945 trlgG= -2.227917 logG= -0.655962 TDE= -4.397642 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038060 tlogG= -0.622591 logG= -0.660651 Density= 3.416252 ETOT(band)= -1.568675 trlgG= -2.236782 logG= -0.660651 TDE= -4.400830 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038055 tlogG= -0.625221 logG= -0.663277 Density= 3.415998 ETOT(band)= -1.570742 trlgG= -2.242373 logG= -0.663277 TDE= -4.403586 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038182 tlogG= -0.618106 logG= -0.656288 Density= 3.417442 ETOT(band)= -1.564307 trlgG= -2.227691 logG= -0.656288 TDE= -4.397086 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038083 tlogG= -0.620597 logG= -0.658679 Density= 3.416591 ETOT(band)= -1.566949 trlgG= -2.232474 logG= -0.658679 TDE= -4.398774 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038301 tlogG= -0.619363 logG= -0.657664 Density= 3.417657 ETOT(band)= -1.564823 trlgG= -2.230704 logG= -0.657664 TDE= -4.398901 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038403 tlogG= -0.617401 logG= -0.655804 Density= 3.418737 ETOT(band)= -1.562539 trlgG= -2.226623 logG= -0.655804 TDE= -4.397573 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038140 tlogG= -0.622996 logG= -0.661136 Density= 3.416649 ETOT(band)= -1.568519 trlgG= -2.237566 logG= -0.661136 TDE= -4.401457 logGD-logG0= -0.038172 tlogG= -0.624616 logG= -0.662788 Density= 3.416544 ETOT(band)= -1.569688 trlgG= -2.241716 logG= -0.662788 TDE= -4.403869 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038687 tlogG= -0.610372 logG= -0.649059 Density= 3.420364 ETOT(band)= -1.555649 trlgG= -2.216521 logG= -0.649059 TDE= -4.395560 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038494 tlogG= -0.613924 logG= -0.652417 Density= 3.419412 ETOT(band)= -1.559348 trlgG= -2.220772 logG= -0.652417 TDE= -4.395666 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038568 tlogG= -0.611091 logG= -0.649659 Density= 3.419835 ETOT(band)= -1.556733 trlgG= -2.216528 logG= -0.649659 TDE= -4.394530 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038305 tlogG= -0.620175 logG= -0.658480 Density= 3.418252 ETOT(band)= -1.565102 trlgG= -2.230256 logG= -0.658480 TDE= -4.398129 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038409 tlogG= -0.617757 logG= -0.656166 Density= 3.419021 ETOT(band)= -1.562704 trlgG= -2.226148 logG= -0.656166 TDE= -4.396970 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038009 tlogG= -0.622915 logG= -0.660924 Density= 3.416252 ETOT(band)= -1.568966 trlgG= -2.236646 logG= -0.660924 TDE= -4.400421 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038188 tlogG= -0.619967 logG= -0.658155 Density= 3.417052 ETOT(band)= -1.565955 trlgG= -2.231775 logG= -0.658155 TDE= -4.398980 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038561 tlogG= -0.613338 logG= -0.651898 Density= 3.419607 ETOT(band)= -1.558620 trlgG= -2.221047 logG= -0.651898 TDE= -4.396622 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 Sum of eigenvalues= -1022.14995125739 eV TrLogG= -1457.78052593943 eV Ratio to renormalize= 0.999717852891 rho-rho_expected= 0.046285185185 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 33) Finished k-point number 34 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 107 20) Finished k-point number 21 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.801102340657778 0.803132790894711 0.802979691758604 0.800673554784697 0.803664471111963 0.802939554663494 0.801394811054731 0.802997309128273 0.803082966028583 0.801304100775922 0.803200402842527 0.802984773921586 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038142 tlogG= -0.624749 logG= -0.662890 Density= 3.416216 ETOT(band)= -1.570210 trlgG= -2.242330 logG= -0.662890 TDE= -4.404109 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038124 tlogG= -0.625119 logG= -0.663244 Density= 3.416495 ETOT(band)= -1.570286 trlgG= -2.241888 logG= -0.663244 TDE= -4.403545 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038486 tlogG= -0.613526 logG= -0.652011 Density= 3.418997 ETOT(band)= -1.559382 trlgG= -2.221805 logG= -0.652011 TDE= -4.396762 logGD-logG0= -0.038225 tlogG= -0.622317 logG= -0.660542 Density= 3.417443 ETOT(band)= -1.567454 trlgG= -2.235441 logG= -0.660542 TDE= -4.400584 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038095 tlogG= -0.623467 logG= -0.661561 Density= 3.416639 ETOT(band)= -1.569053 trlgG= -2.237619 logG= -0.661561 TDE= -4.401076 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038213 tlogG= -0.621990 logG= -0.660203 Density= 3.417135 ETOT(band)= -1.567344 trlgG= -2.235777 logG= -0.660203 TDE= -4.401002 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038077 tlogG= -0.625566 logG= -0.663643 Density= 3.416456 ETOT(band)= -1.570744 trlgG= -2.241319 logG= -0.663643 TDE= -4.402545 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038061 tlogG= -0.620872 logG= -0.658933 Density= 3.416769 ETOT(band)= -1.567141 trlgG= -2.232743 logG= -0.658933 TDE= -4.398937 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.038273 tlogG= -0.620187 logG= -0.658461 Density= 3.417957 ETOT(band)= -1.565501 trlgG= -2.230864 logG= -0.658461 TDE= -4.398512 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038291 tlogG= -0.619810 logG= -0.658101 Density= 3.417801 ETOT(band)= -1.565239 trlgG= -2.231011 logG= -0.658101 TDE= -4.398889 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038169 tlogG= -0.626406 logG= -0.664575 Density= 3.416283 ETOT(band)= -1.571266 trlgG= -2.245602 logG= -0.664575 TDE= -4.405750 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038066 tlogG= -0.622620 logG= -0.660686 Density= 3.416273 ETOT(band)= -1.568762 trlgG= -2.236905 logG= -0.660686 TDE= -4.400935 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038199 tlogG= -0.622567 logG= -0.660767 Density= 3.416746 ETOT(band)= -1.568112 trlgG= -2.237603 logG= -0.660767 TDE= -4.401944 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038188 tlogG= -0.618135 logG= -0.656323 Density= 3.417464 ETOT(band)= -1.564394 trlgG= -2.227815 logG= -0.656323 TDE= -4.397193 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038248 tlogG= -0.619554 logG= -0.657802 Density= 3.417114 ETOT(band)= -1.565588 trlgG= -2.231509 logG= -0.657802 TDE= -4.399119 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038178 tlogG= -0.624645 logG= -0.662823 Density= 3.416566 ETOT(band)= -1.569774 trlgG= -2.241839 logG= -0.662823 TDE= -4.403975 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038194 tlogG= -0.619996 logG= -0.658191 Density= 3.417074 ETOT(band)= -1.566041 trlgG= -2.231896 logG= -0.658191 TDE= -4.399084 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037977 tlogG= -0.627559 logG= -0.665536 Density= 3.415684 ETOT(band)= -1.572806 trlgG= -2.245562 logG= -0.665536 TDE= -4.404256 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038397 tlogG= -0.616154 logG= -0.654551 Density= 3.418437 ETOT(band)= -1.561881 trlgG= -2.225674 logG= -0.654551 TDE= -4.397629 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038400 tlogG= -0.614114 logG= -0.652514 Density= 3.418710 ETOT(band)= -1.560163 trlgG= -2.221596 logG= -0.652514 TDE= -4.395813 logGD-logG0= -0.037982 tlogG= -0.625714 logG= -0.663696 Density= 3.415842 ETOT(band)= -1.571388 trlgG= -2.242056 logG= -0.663696 TDE= -4.402721 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038811 tlogG= -0.609608 logG= -0.648420 Density= 3.420955 ETOT(band)= -1.554537 trlgG= -2.215702 logG= -0.648420 TDE= -4.395871 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038341 tlogG= -0.616667 logG= -0.655008 Density= 3.418338 ETOT(band)= -1.562458 trlgG= -2.225518 logG= -0.655008 TDE= -4.396933 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038123 tlogG= -0.622249 logG= -0.660372 Density= 3.416283 ETOT(band)= -1.568413 trlgG= -2.237003 logG= -0.660372 TDE= -4.401356 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038575 tlogG= -0.611120 logG= -0.649694 Density= 3.419858 ETOT(band)= -1.556818 trlgG= -2.216655 logG= -0.649694 TDE= -4.394641 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038140 tlogG= -0.620397 logG= -0.658538 Density= 3.417049 ETOT(band)= -1.566436 trlgG= -2.231903 logG= -0.658538 TDE= -4.398724 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038415 tlogG= -0.617786 logG= -0.656201 Density= 3.419043 ETOT(band)= -1.562790 trlgG= -2.226271 logG= -0.656201 TDE= -4.397077 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038409 tlogG= -0.617056 logG= -0.655465 Density= 3.418502 ETOT(band)= -1.562419 trlgG= -2.226878 logG= -0.655465 TDE= -4.397972 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038124 tlogG= -0.620368 logG= -0.658492 Density= 3.416463 ETOT(band)= -1.566914 trlgG= -2.232567 logG= -0.658492 TDE= -4.398948 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038307 tlogG= -0.619392 logG= -0.657699 Density= 3.417680 ETOT(band)= -1.564909 trlgG= -2.230828 logG= -0.657699 TDE= -4.399009 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=119 logGD-logG0= -0.038636 tlogG= -0.612764 logG= -0.651400 Density= 3.419855 ETOT(band)= -1.557940 trlgG= -2.220737 logG= -0.651400 TDE= -4.397015 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038257 tlogG= -0.619996 logG= -0.658253 Density= 3.417680 ETOT(band)= -1.565385 trlgG= -2.230740 logG= -0.658253 TDE= -4.398367 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038373 tlogG= -0.620403 logG= -0.658776 Density= 3.418922 ETOT(band)= -1.564948 trlgG= -2.229999 logG= -0.658776 TDE= -4.398130 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038409 tlogG= -0.617430 logG= -0.655839 Density= 3.418759 ETOT(band)= -1.562625 trlgG= -2.226749 logG= -0.655839 TDE= -4.397682 logGD-logG0= -0.038311 tlogG= -0.620204 logG= -0.658515 Density= 3.418274 ETOT(band)= -1.565188 trlgG= -2.230377 logG= -0.658515 TDE= -4.398233 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038071 tlogG= -0.627002 logG= -0.665073 Density= 3.415964 ETOT(band)= -1.572070 trlgG= -2.245979 logG= -0.665073 TDE= -4.405367 logGD-logG0= -0.038567 tlogG= -0.613366 logG= -0.651933 Density= 3.419630 ETOT(band)= -1.558706 trlgG= -2.221175 logG= -0.651933 TDE= -4.396733 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038500 tlogG= -0.613953 logG= -0.652453 Density= 3.419434 ETOT(band)= -1.559434 trlgG= -2.220898 logG= -0.652453 TDE= -4.395776 logGD-logG0= -0.038061 tlogG= -0.625251 logG= -0.663312 Density= 3.416020 ETOT(band)= -1.570828 trlgG= -2.242496 logG= -0.663312 TDE= -4.403692 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038458 tlogG= -0.615636 logG= -0.654094 Density= 3.418571 ETOT(band)= -1.561277 trlgG= -2.225371 logG= -0.654094 TDE= -4.397893 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038572 tlogG= -0.612908 logG= -0.651481 Density= 3.419285 ETOT(band)= -1.558567 trlgG= -2.221284 logG= -0.651481 TDE= -4.397010 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038693 tlogG= -0.610401 logG= -0.649094 Density= 3.420387 ETOT(band)= -1.555734 trlgG= -2.216647 logG= -0.649094 TDE= -4.395671 logGD-logG0= -0.038146 tlogG= -0.623025 logG= -0.661171 Density= 3.416671 ETOT(band)= -1.568606 trlgG= -2.237688 logG= -0.661171 TDE= -4.401563 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038242 tlogG= -0.617755 logG= -0.655997 Density= 3.417468 ETOT(band)= -1.564031 trlgG= -2.228044 logG= -0.655997 TDE= -4.397752 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038240 tlogG= -0.622601 logG= -0.660841 Density= 3.417793 ETOT(band)= -1.567489 trlgG= -2.234888 logG= -0.660841 TDE= -4.400021 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038293 tlogG= -0.617346 logG= -0.655639 Density= 3.417474 ETOT(band)= -1.563640 trlgG= -2.227944 logG= -0.655639 TDE= -4.398014 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038089 tlogG= -0.620626 logG= -0.658715 Density= 3.416613 ETOT(band)= -1.567035 trlgG= -2.232594 logG= -0.658715 TDE= -4.398877 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038015 tlogG= -0.622944 logG= -0.660959 Density= 3.416274 ETOT(band)= -1.569052 trlgG= -2.236765 logG= -0.660959 TDE= -4.400522 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 Sum of eigenvalues= -1022.20620579674 eV TrLogG= -1457.87303497502 eV Ratio to renormalize= 0.999711402733 rho-rho_expected= 0.047343615063 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 35) Finished k-point number 36 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 20) Finished k-point number 21 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 15) Finished k-point number 16 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 10) Finished k-point number 11 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.801107276905321 0.803137069410663 0.802981463813945 0.800678498934044 0.803668666795412 0.802941375798660 0.801399705759085 0.803001614089784 0.803084735908991 0.801308982555816 0.803204591222859 0.802986646127601 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.037977 tlogG= -0.627551 logG= -0.665528 Density= 3.415686 ETOT(band)= -1.572795 trlgG= -2.245543 logG= -0.665528 TDE= -4.404246 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038125 tlogG= -0.620359 logG= -0.658484 Density= 3.416465 ETOT(band)= -1.566903 trlgG= -2.232548 logG= -0.658484 TDE= -4.398938 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038188 tlogG= -0.618127 logG= -0.656315 Density= 3.417466 ETOT(band)= -1.564382 trlgG= -2.227796 logG= -0.656315 TDE= -4.397183 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038274 tlogG= -0.620179 logG= -0.658453 Density= 3.417959 ETOT(band)= -1.565490 trlgG= -2.230845 logG= -0.658453 TDE= -4.398502 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038573 tlogG= -0.612900 logG= -0.651473 Density= 3.419287 ETOT(band)= -1.558555 trlgG= -2.221265 logG= -0.651473 TDE= -4.397001 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038292 tlogG= -0.619801 logG= -0.658093 Density= 3.417802 ETOT(band)= -1.565228 trlgG= -2.230992 logG= -0.658093 TDE= -4.398880 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038410 tlogG= -0.617422 logG= -0.655832 Density= 3.418761 ETOT(band)= -1.562614 trlgG= -2.226730 logG= -0.655832 TDE= -4.397672 logGD-logG0= -0.038077 tlogG= -0.625558 logG= -0.663635 Density= 3.416458 ETOT(band)= -1.570733 trlgG= -2.241300 logG= -0.663635 TDE= -4.402535 logGD-logG0= -0.038342 tlogG= -0.616659 logG= -0.655001 Density= 3.418340 ETOT(band)= -1.562447 trlgG= -2.225499 logG= -0.655001 TDE= -4.396923 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038225 tlogG= -0.622309 logG= -0.660534 Density= 3.417445 ETOT(band)= -1.567443 trlgG= -2.235422 logG= -0.660534 TDE= -4.400574 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038398 tlogG= -0.616145 logG= -0.654544 Density= 3.418439 ETOT(band)= -1.561869 trlgG= -2.225655 logG= -0.654544 TDE= -4.397619 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038061 tlogG= -0.620864 logG= -0.658925 Density= 3.416771 ETOT(band)= -1.567130 trlgG= -2.232724 logG= -0.658925 TDE= -4.398927 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.038459 tlogG= -0.615627 logG= -0.654086 Density= 3.418573 ETOT(band)= -1.561266 trlgG= -2.225352 logG= -0.654086 TDE= -4.397884 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038308 tlogG= -0.619384 logG= -0.657692 Density= 3.417682 ETOT(band)= -1.564898 trlgG= -2.230809 logG= -0.657692 TDE= -4.398999 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038241 tlogG= -0.622592 logG= -0.660833 Density= 3.417795 ETOT(band)= -1.567478 trlgG= -2.234869 logG= -0.660833 TDE= -4.400011 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038200 tlogG= -0.622559 logG= -0.660759 Density= 3.416748 ETOT(band)= -1.568101 trlgG= -2.237584 logG= -0.660759 TDE= -4.401934 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038124 tlogG= -0.622241 logG= -0.660364 Density= 3.416285 ETOT(band)= -1.568402 trlgG= -2.236984 logG= -0.660364 TDE= -4.401346 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038170 tlogG= -0.626398 logG= -0.664568 Density= 3.416285 ETOT(band)= -1.571254 trlgG= -2.245582 logG= -0.664568 TDE= -4.405741 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038141 tlogG= -0.620389 logG= -0.658530 Density= 3.417051 ETOT(band)= -1.566425 trlgG= -2.231884 logG= -0.658530 TDE= -4.398714 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038143 tlogG= -0.624740 logG= -0.662883 Density= 3.416218 ETOT(band)= -1.570198 trlgG= -2.242311 logG= -0.662883 TDE= -4.404099 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038312 tlogG= -0.620196 logG= -0.658508 Density= 3.418276 ETOT(band)= -1.565177 trlgG= -2.230358 logG= -0.658508 TDE= -4.398223 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038095 tlogG= -0.623458 logG= -0.661554 Density= 3.416641 ETOT(band)= -1.569042 trlgG= -2.237599 logG= -0.661554 TDE= -4.401066 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038400 tlogG= -0.614106 logG= -0.652506 Density= 3.418712 ETOT(band)= -1.560151 trlgG= -2.221576 logG= -0.652506 TDE= -4.395803 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038214 tlogG= -0.621982 logG= -0.660196 Density= 3.417137 ETOT(band)= -1.567333 trlgG= -2.235757 logG= -0.660196 TDE= -4.400992 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038486 tlogG= -0.613517 logG= -0.652004 Density= 3.418999 ETOT(band)= -1.559370 trlgG= -2.221786 logG= -0.652004 TDE= -4.396752 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038575 tlogG= -0.611111 logG= -0.649686 Density= 3.419860 ETOT(band)= -1.556807 trlgG= -2.216636 logG= -0.649686 TDE= -4.394632 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038409 tlogG= -0.617048 logG= -0.655457 Density= 3.418504 ETOT(band)= -1.562408 trlgG= -2.226858 logG= -0.655457 TDE= -4.397962 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038147 tlogG= -0.623017 logG= -0.661163 Density= 3.416673 ETOT(band)= -1.568594 trlgG= -2.237669 logG= -0.661163 TDE= -4.401553 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038694 tlogG= -0.610393 logG= -0.649086 Density= 3.420389 ETOT(band)= -1.555722 trlgG= -2.216628 logG= -0.649086 TDE= -4.395662 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038501 tlogG= -0.613944 logG= -0.652445 Density= 3.419436 ETOT(band)= -1.559423 trlgG= -2.220879 logG= -0.652445 TDE= -4.395766 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038248 tlogG= -0.619545 logG= -0.657794 Density= 3.417116 ETOT(band)= -1.565577 trlgG= -2.231490 logG= -0.657794 TDE= -4.399109 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038016 tlogG= -0.622936 logG= -0.660952 Density= 3.416276 ETOT(band)= -1.569041 trlgG= -2.236745 logG= -0.660952 TDE= -4.400512 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038195 tlogG= -0.619988 logG= -0.658183 Density= 3.417076 ETOT(band)= -1.566030 trlgG= -2.231877 logG= -0.658183 TDE= -4.399074 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038374 tlogG= -0.620394 logG= -0.658768 Density= 3.418924 ETOT(band)= -1.564937 trlgG= -2.229980 logG= -0.658768 TDE= -4.398120 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038257 tlogG= -0.619988 logG= -0.658245 Density= 3.417682 ETOT(band)= -1.565374 trlgG= -2.230720 logG= -0.658245 TDE= -4.398357 logGD-logG0= -0.038072 tlogG= -0.626993 logG= -0.665065 Density= 3.415966 ETOT(band)= -1.572058 trlgG= -2.245959 logG= -0.665065 TDE= -4.405357 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038125 tlogG= -0.625111 logG= -0.663236 Density= 3.416497 ETOT(band)= -1.570275 trlgG= -2.241869 logG= -0.663236 TDE= -4.403535 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038090 tlogG= -0.620617 logG= -0.658707 Density= 3.416614 ETOT(band)= -1.567024 trlgG= -2.232575 logG= -0.658707 TDE= -4.398867 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038637 tlogG= -0.612755 logG= -0.651392 Density= 3.419857 ETOT(band)= -1.557928 trlgG= -2.220718 logG= -0.651392 TDE= -4.397005 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038812 tlogG= -0.609600 logG= -0.648412 Density= 3.420957 ETOT(band)= -1.554525 trlgG= -2.215683 logG= -0.648412 TDE= -4.395861 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038416 tlogG= -0.617778 logG= -0.656193 Density= 3.419045 ETOT(band)= -1.562779 trlgG= -2.226252 logG= -0.656193 TDE= -4.397067 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038294 tlogG= -0.617337 logG= -0.655631 Density= 3.417476 ETOT(band)= -1.563628 trlgG= -2.227925 logG= -0.655631 TDE= -4.398005 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038062 tlogG= -0.625242 logG= -0.663304 Density= 3.416022 ETOT(band)= -1.570817 trlgG= -2.242477 logG= -0.663304 TDE= -4.403682 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038243 tlogG= -0.617746 logG= -0.655989 Density= 3.417470 ETOT(band)= -1.564020 trlgG= -2.228025 logG= -0.655989 TDE= -4.397742 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.037983 tlogG= -0.625705 logG= -0.663688 Density= 3.415844 ETOT(band)= -1.571377 trlgG= -2.242037 logG= -0.663688 TDE= -4.402711 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038179 tlogG= -0.624636 logG= -0.662815 Density= 3.416568 ETOT(band)= -1.569763 trlgG= -2.241820 logG= -0.662815 TDE= -4.403965 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038067 tlogG= -0.622612 logG= -0.660679 Density= 3.416275 ETOT(band)= -1.568751 trlgG= -2.236886 logG= -0.660679 TDE= -4.400925 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038568 tlogG= -0.613358 logG= -0.651925 Density= 3.419632 ETOT(band)= -1.558695 trlgG= -2.221156 logG= -0.651925 TDE= -4.396724 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 Sum of eigenvalues= -1022.19881804602 eV TrLogG= -1457.86157228907 eV Ratio to renormalize= 0.999710828504 rho-rho_expected= 0.047437842989 nargs= 1 argi=dmft2.def 4) Finished k-point number 5 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 17) Finished k-point number 18 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 10) Finished k-point number 11 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 42) Finished k-point number 43 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 24) Finished k-point number 25 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.801095950360630 0.803122678615663 0.802969471618107 0.800667217091801 0.803654280775796 0.802929364876370 0.801388468085548 0.802987135933418 0.803072773467233 0.801297822975274 0.803190235318949 0.802974535120811 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038140 tlogG= -0.624748 logG= -0.662889 Density= 3.416211 ETOT(band)= -1.570196 trlgG= -2.242314 logG= -0.662889 TDE= -4.404091 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038223 tlogG= -0.622316 logG= -0.660540 Density= 3.417438 ETOT(band)= -1.567440 trlgG= -2.235425 logG= -0.660540 TDE= -4.400566 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037975 tlogG= -0.627559 logG= -0.665534 Density= 3.415679 ETOT(band)= -1.572793 trlgG= -2.245547 logG= -0.665534 TDE= -4.404238 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038396 tlogG= -0.616153 logG= -0.654549 Density= 3.418432 ETOT(band)= -1.561867 trlgG= -2.225657 logG= -0.654549 TDE= -4.397609 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038168 tlogG= -0.626406 logG= -0.664574 Density= 3.416278 ETOT(band)= -1.571252 trlgG= -2.245586 logG= -0.664574 TDE= -4.405733 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038139 tlogG= -0.620397 logG= -0.658536 Density= 3.417044 ETOT(band)= -1.566423 trlgG= -2.231888 logG= -0.658536 TDE= -4.398706 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038306 tlogG= -0.619391 logG= -0.657697 Density= 3.417675 ETOT(band)= -1.564896 trlgG= -2.230812 logG= -0.657697 TDE= -4.398990 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038407 tlogG= -0.617056 logG= -0.655463 Density= 3.418497 ETOT(band)= -1.562405 trlgG= -2.226860 logG= -0.655463 TDE= -4.397953 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038059 tlogG= -0.620872 logG= -0.658931 Density= 3.416765 ETOT(band)= -1.567127 trlgG= -2.232728 logG= -0.658931 TDE= -4.398920 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.038565 tlogG= -0.613366 logG= -0.651931 Density= 3.419625 ETOT(band)= -1.558692 trlgG= -2.221157 logG= -0.651931 TDE= -4.396713 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038075 tlogG= -0.625566 logG= -0.663641 Density= 3.416452 ETOT(band)= -1.570731 trlgG= -2.241304 logG= -0.663641 TDE= -4.402527 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038144 tlogG= -0.623025 logG= -0.661169 Density= 3.416666 ETOT(band)= -1.568592 trlgG= -2.237673 logG= -0.661169 TDE= -4.401545 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038060 tlogG= -0.625250 logG= -0.663310 Density= 3.416015 ETOT(band)= -1.570815 trlgG= -2.242481 logG= -0.663310 TDE= -4.403674 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038123 tlogG= -0.620367 logG= -0.658490 Density= 3.416458 ETOT(band)= -1.566900 trlgG= -2.232552 logG= -0.658490 TDE= -4.398931 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038340 tlogG= -0.616666 logG= -0.655006 Density= 3.418333 ETOT(band)= -1.562444 trlgG= -2.225500 logG= -0.655006 TDE= -4.396914 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038571 tlogG= -0.612908 logG= -0.651479 Density= 3.419280 ETOT(band)= -1.558553 trlgG= -2.221267 logG= -0.651479 TDE= -4.396990 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038484 tlogG= -0.613525 logG= -0.652009 Density= 3.418992 ETOT(band)= -1.559368 trlgG= -2.221787 logG= -0.652009 TDE= -4.396742 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038093 tlogG= -0.623466 logG= -0.661559 Density= 3.416634 ETOT(band)= -1.569039 trlgG= -2.237603 logG= -0.661559 TDE= -4.401059 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038272 tlogG= -0.620187 logG= -0.658459 Density= 3.417952 ETOT(band)= -1.565488 trlgG= -2.230848 logG= -0.658459 TDE= -4.398494 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038290 tlogG= -0.619809 logG= -0.658099 Density= 3.417796 ETOT(band)= -1.565225 trlgG= -2.230994 logG= -0.658099 TDE= -4.398871 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038398 tlogG= -0.614114 logG= -0.652512 Density= 3.418705 ETOT(band)= -1.560149 trlgG= -2.221578 logG= -0.652512 TDE= -4.395793 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038457 tlogG= -0.615635 logG= -0.654092 Density= 3.418566 ETOT(band)= -1.561263 trlgG= -2.225353 logG= -0.654092 TDE= -4.397874 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038122 tlogG= -0.622249 logG= -0.660370 Density= 3.416278 ETOT(band)= -1.568399 trlgG= -2.236987 logG= -0.660370 TDE= -4.401338 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038573 tlogG= -0.611119 logG= -0.649692 Density= 3.419852 ETOT(band)= -1.556805 trlgG= -2.216638 logG= -0.649692 TDE= -4.394621 logGD-logG0= -0.038246 tlogG= -0.619553 logG= -0.657800 Density= 3.417109 ETOT(band)= -1.565575 trlgG= -2.231493 logG= -0.657800 TDE= -4.399101 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.037981 tlogG= -0.625713 logG= -0.663694 Density= 3.415837 ETOT(band)= -1.571375 trlgG= -2.242041 logG= -0.663694 TDE= -4.402703 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038408 tlogG= -0.617430 logG= -0.655837 Density= 3.418754 ETOT(band)= -1.562611 trlgG= -2.226732 logG= -0.655837 TDE= -4.397663 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038198 tlogG= -0.622567 logG= -0.660765 Density= 3.416741 ETOT(band)= -1.568098 trlgG= -2.237587 logG= -0.660765 TDE= -4.401926 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038239 tlogG= -0.622600 logG= -0.660839 Density= 3.417789 ETOT(band)= -1.567475 trlgG= -2.234873 logG= -0.660839 TDE= -4.400004 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038372 tlogG= -0.620402 logG= -0.658774 Density= 3.418918 ETOT(band)= -1.564934 trlgG= -2.229983 logG= -0.658774 TDE= -4.398113 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038414 tlogG= -0.617786 logG= -0.656199 Density= 3.419038 ETOT(band)= -1.562776 trlgG= -2.226254 logG= -0.656199 TDE= -4.397058 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038810 tlogG= -0.609608 logG= -0.648418 Density= 3.420950 ETOT(band)= -1.554523 trlgG= -2.215685 logG= -0.648418 TDE= -4.395851 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038186 tlogG= -0.618134 logG= -0.656321 Density= 3.417459 ETOT(band)= -1.564380 trlgG= -2.227798 logG= -0.656321 TDE= -4.397174 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038255 tlogG= -0.619995 logG= -0.658251 Density= 3.417675 ETOT(band)= -1.565371 trlgG= -2.230724 logG= -0.658251 TDE= -4.398349 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038692 tlogG= -0.610400 logG= -0.649092 Density= 3.420382 ETOT(band)= -1.555720 trlgG= -2.216630 logG= -0.649092 TDE= -4.395651 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038014 tlogG= -0.622944 logG= -0.660957 Density= 3.416269 ETOT(band)= -1.569038 trlgG= -2.236750 logG= -0.660957 TDE= -4.400505 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038087 tlogG= -0.620625 logG= -0.658713 Density= 3.416608 ETOT(band)= -1.567021 trlgG= -2.232579 logG= -0.658713 TDE= -4.398859 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038123 tlogG= -0.625119 logG= -0.663242 Density= 3.416490 ETOT(band)= -1.570273 trlgG= -2.241872 logG= -0.663242 TDE= -4.403527 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038177 tlogG= -0.624644 logG= -0.662821 Density= 3.416561 ETOT(band)= -1.569760 trlgG= -2.241823 logG= -0.662821 TDE= -4.403957 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038635 tlogG= -0.612763 logG= -0.651398 Density= 3.419849 ETOT(band)= -1.557926 trlgG= -2.220720 logG= -0.651398 TDE= -4.396995 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038069 tlogG= -0.627001 logG= -0.665071 Density= 3.415959 ETOT(band)= -1.572056 trlgG= -2.245963 logG= -0.665071 TDE= -4.405349 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038212 tlogG= -0.621990 logG= -0.660201 Density= 3.417130 ETOT(band)= -1.567330 trlgG= -2.235761 logG= -0.660201 TDE= -4.400984 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038292 tlogG= -0.617345 logG= -0.655637 Density= 3.417469 ETOT(band)= -1.563626 trlgG= -2.227927 logG= -0.655637 TDE= -4.397995 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038498 tlogG= -0.613952 logG= -0.652450 Density= 3.419429 ETOT(band)= -1.559421 trlgG= -2.220881 logG= -0.652450 TDE= -4.395756 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038065 tlogG= -0.622620 logG= -0.660684 Density= 3.416268 ETOT(band)= -1.568748 trlgG= -2.236889 logG= -0.660684 TDE= -4.400917 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038241 tlogG= -0.617754 logG= -0.655995 Density= 3.417463 ETOT(band)= -1.564018 trlgG= -2.228027 logG= -0.655995 TDE= -4.397733 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038193 tlogG= -0.619996 logG= -0.658189 Density= 3.417069 ETOT(band)= -1.566028 trlgG= -2.231880 logG= -0.658189 TDE= -4.399066 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038310 tlogG= -0.620203 logG= -0.658513 Density= 3.418269 ETOT(band)= -1.565174 trlgG= -2.230361 logG= -0.658513 TDE= -4.398215 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Sum of eigenvalues= -1022.19728176411 eV TrLogG= -1457.85968615479 eV Ratio to renormalize= 0.999712858673 rho-rho_expected= 0.047104703303 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 31) Finished k-point number 32 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 3) Finished k-point number 4 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.801099344286181 0.803123779224279 0.802973269888604 0.800670632316734 0.803655407847276 0.802933152558772 0.801391849279591 0.802988249308246 0.803076586342476 0.801301208679422 0.803191402364837 0.802978299441003 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038290 tlogG= -0.619814 logG= -0.658104 Density= 3.417798 ETOT(band)= -1.565240 trlgG= -2.231015 logG= -0.658104 TDE= -4.398888 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.037976 tlogG= -0.627563 logG= -0.665539 Density= 3.415681 ETOT(band)= -1.572808 trlgG= -2.245567 logG= -0.665539 TDE= -4.404255 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038094 tlogG= -0.623471 logG= -0.661565 Density= 3.416637 ETOT(band)= -1.569055 trlgG= -2.237623 logG= -0.661565 TDE= -4.401076 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038397 tlogG= -0.616158 logG= -0.654555 Density= 3.418435 ETOT(band)= -1.561882 trlgG= -2.225678 logG= -0.654555 TDE= -4.397627 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038566 tlogG= -0.613370 logG= -0.651936 Density= 3.419627 ETOT(band)= -1.558708 trlgG= -2.221178 logG= -0.651936 TDE= -4.396731 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038070 tlogG= -0.627006 logG= -0.665076 Density= 3.415962 ETOT(band)= -1.572071 trlgG= -2.245984 logG= -0.665076 TDE= -4.405367 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038636 tlogG= -0.612768 logG= -0.651403 Density= 3.419852 ETOT(band)= -1.557941 trlgG= -2.220740 logG= -0.651403 TDE= -4.397013 logGD-logG0= -0.038224 tlogG= -0.622321 logG= -0.660545 Density= 3.417441 ETOT(band)= -1.567455 trlgG= -2.235446 logG= -0.660545 TDE= -4.400583 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038485 tlogG= -0.613530 logG= -0.652015 Density= 3.418994 ETOT(band)= -1.559383 trlgG= -2.221808 logG= -0.652015 TDE= -4.396760 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038140 tlogG= -0.620401 logG= -0.658541 Density= 3.417047 ETOT(band)= -1.566438 trlgG= -2.231908 logG= -0.658541 TDE= -4.398723 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038123 tlogG= -0.620372 logG= -0.658495 Density= 3.416461 ETOT(band)= -1.566915 trlgG= -2.232572 logG= -0.658495 TDE= -4.398948 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038141 tlogG= -0.624753 logG= -0.662894 Density= 3.416214 ETOT(band)= -1.570211 trlgG= -2.242335 logG= -0.662894 TDE= -4.404108 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038247 tlogG= -0.619558 logG= -0.657805 Density= 3.417111 ETOT(band)= -1.565590 trlgG= -2.231514 logG= -0.657805 TDE= -4.399118 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038273 tlogG= -0.620191 logG= -0.658464 Density= 3.417955 ETOT(band)= -1.565503 trlgG= -2.230869 logG= -0.658464 TDE= -4.398511 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038199 tlogG= -0.622571 logG= -0.660770 Density= 3.416744 ETOT(band)= -1.568114 trlgG= -2.237608 logG= -0.660770 TDE= -4.401944 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038169 tlogG= -0.626410 logG= -0.664579 Density= 3.416280 ETOT(band)= -1.571267 trlgG= -2.245607 logG= -0.664579 TDE= -4.405750 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038187 tlogG= -0.618139 logG= -0.656326 Density= 3.417462 ETOT(band)= -1.564395 trlgG= -2.227819 logG= -0.656326 TDE= -4.397192 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038399 tlogG= -0.614118 logG= -0.652517 Density= 3.418707 ETOT(band)= -1.560164 trlgG= -2.221599 logG= -0.652517 TDE= -4.395811 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038341 tlogG= -0.616671 logG= -0.655012 Density= 3.418336 ETOT(band)= -1.562460 trlgG= -2.225521 logG= -0.655012 TDE= -4.396931 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038060 tlogG= -0.620876 logG= -0.658936 Density= 3.416767 ETOT(band)= -1.567142 trlgG= -2.232748 logG= -0.658936 TDE= -4.398937 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.038213 tlogG= -0.621994 logG= -0.660207 Density= 3.417132 ETOT(band)= -1.567345 trlgG= -2.235781 logG= -0.660207 TDE= -4.401002 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038076 tlogG= -0.625570 logG= -0.663646 Density= 3.416454 ETOT(band)= -1.570746 trlgG= -2.241324 logG= -0.663646 TDE= -4.402544 logGD-logG0= -0.038124 tlogG= -0.625123 logG= -0.663247 Density= 3.416493 ETOT(band)= -1.570288 trlgG= -2.241893 logG= -0.663247 TDE= -4.403544 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038145 tlogG= -0.623029 logG= -0.661175 Density= 3.416669 ETOT(band)= -1.568607 trlgG= -2.237693 logG= -0.661175 TDE= -4.401562 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038066 tlogG= -0.622624 logG= -0.660690 Density= 3.416271 ETOT(band)= -1.568763 trlgG= -2.236910 logG= -0.660690 TDE= -4.400935 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038574 tlogG= -0.611124 logG= -0.649697 Density= 3.419855 ETOT(band)= -1.556820 trlgG= -2.216659 logG= -0.649697 TDE= -4.394639 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038293 tlogG= -0.617350 logG= -0.655642 Density= 3.417472 ETOT(band)= -1.563641 trlgG= -2.227947 logG= -0.655642 TDE= -4.398013 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038122 tlogG= -0.622253 logG= -0.660375 Density= 3.416281 ETOT(band)= -1.568414 trlgG= -2.237008 logG= -0.660375 TDE= -4.401355 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038241 tlogG= -0.617759 logG= -0.656000 Density= 3.417466 ETOT(band)= -1.564033 trlgG= -2.228047 logG= -0.656000 TDE= -4.397750 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038811 tlogG= -0.609612 logG= -0.648423 Density= 3.420953 ETOT(band)= -1.554538 trlgG= -2.215706 logG= -0.648423 TDE= -4.395869 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038373 tlogG= -0.620407 logG= -0.658779 Density= 3.418920 ETOT(band)= -1.564950 trlgG= -2.230004 logG= -0.658779 TDE= -4.398130 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.037981 tlogG= -0.625718 logG= -0.663699 Density= 3.415840 ETOT(band)= -1.571390 trlgG= -2.242061 logG= -0.663699 TDE= -4.402720 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038408 tlogG= -0.617060 logG= -0.655468 Density= 3.418500 ETOT(band)= -1.562420 trlgG= -2.226881 logG= -0.655468 TDE= -4.397970 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038414 tlogG= -0.617790 logG= -0.656204 Density= 3.419041 ETOT(band)= -1.562792 trlgG= -2.226275 logG= -0.656204 TDE= -4.397075 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038409 tlogG= -0.617434 logG= -0.655843 Density= 3.418757 ETOT(band)= -1.562626 trlgG= -2.226753 logG= -0.655843 TDE= -4.397680 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038014 tlogG= -0.622948 logG= -0.660963 Density= 3.416272 ETOT(band)= -1.569054 trlgG= -2.236770 logG= -0.660963 TDE= -4.400522 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038240 tlogG= -0.622605 logG= -0.660844 Density= 3.417792 ETOT(band)= -1.567490 trlgG= -2.234893 logG= -0.660844 TDE= -4.400021 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038307 tlogG= -0.619396 logG= -0.657703 Density= 3.417677 ETOT(band)= -1.564911 trlgG= -2.230832 logG= -0.657703 TDE= -4.399007 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038178 tlogG= -0.624649 logG= -0.662826 Density= 3.416564 ETOT(band)= -1.569775 trlgG= -2.241844 logG= -0.662826 TDE= -4.403974 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038458 tlogG= -0.615640 logG= -0.654097 Density= 3.418569 ETOT(band)= -1.561279 trlgG= -2.225374 logG= -0.654097 TDE= -4.397892 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038256 tlogG= -0.620000 logG= -0.658256 Density= 3.417678 ETOT(band)= -1.565386 trlgG= -2.230744 logG= -0.658256 TDE= -4.398366 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038572 tlogG= -0.612912 logG= -0.651484 Density= 3.419282 ETOT(band)= -1.558568 trlgG= -2.221287 logG= -0.651484 TDE= -4.397008 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038060 tlogG= -0.625255 logG= -0.663315 Density= 3.416018 ETOT(band)= -1.570830 trlgG= -2.242501 logG= -0.663315 TDE= -4.403692 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038193 tlogG= -0.620000 logG= -0.658194 Density= 3.417072 ETOT(band)= -1.566043 trlgG= -2.231901 logG= -0.658194 TDE= -4.399083 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038499 tlogG= -0.613957 logG= -0.652456 Density= 3.419432 ETOT(band)= -1.559436 trlgG= -2.220902 logG= -0.652456 TDE= -4.395774 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038310 tlogG= -0.620208 logG= -0.658518 Density= 3.418272 ETOT(band)= -1.565189 trlgG= -2.230381 logG= -0.658518 TDE= -4.398232 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038692 tlogG= -0.610405 logG= -0.649098 Density= 3.420384 ETOT(band)= -1.555736 trlgG= -2.216651 logG= -0.649098 TDE= -4.395669 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038088 tlogG= -0.620630 logG= -0.658718 Density= 3.416610 ETOT(band)= -1.567036 trlgG= -2.232599 logG= -0.658718 TDE= -4.398876 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1022.20718156568 eV TrLogG= -1457.87458006074 eV Ratio to renormalize= 0.999712062444 rho-rho_expected= 0.047235360083 nargs= 1 argi=dmft2.def 31) Finished k-point number 32 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 17) Finished k-point number 18 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 5) Finished k-point number 6 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 10) Finished k-point number 11 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.801082228197062 0.803120788387104 0.802953714326107 0.800653395207341 0.803652327213677 0.802913610657624 0.801374813960973 0.802985223692054 0.803056942149342 0.801284162004182 0.803188003029614 0.802958980245346 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.037972 tlogG= -0.627527 logG= -0.665499 Density= 3.415665 ETOT(band)= -1.572707 trlgG= -2.245425 logG= -0.665499 TDE= -4.404141 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038136 tlogG= -0.620365 logG= -0.658500 Density= 3.417031 ETOT(band)= -1.566337 trlgG= -2.231768 logG= -0.658500 TDE= -4.398610 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038183 tlogG= -0.618103 logG= -0.656286 Density= 3.417446 ETOT(band)= -1.564294 trlgG= -2.227677 logG= -0.656286 TDE= -4.397077 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038337 tlogG= -0.616635 logG= -0.654971 Density= 3.418320 ETOT(band)= -1.562358 trlgG= -2.225379 logG= -0.654971 TDE= -4.396816 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038084 tlogG= -0.620594 logG= -0.658678 Density= 3.416594 ETOT(band)= -1.566936 trlgG= -2.232459 logG= -0.658678 TDE= -4.398764 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038164 tlogG= -0.626374 logG= -0.664539 Density= 3.416264 ETOT(band)= -1.571167 trlgG= -2.245465 logG= -0.664539 TDE= -4.405636 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038286 tlogG= -0.619777 logG= -0.658064 Density= 3.417782 ETOT(band)= -1.565140 trlgG= -2.230874 logG= -0.658064 TDE= -4.398774 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038118 tlogG= -0.622217 logG= -0.660335 Density= 3.416265 ETOT(band)= -1.568314 trlgG= -2.236867 logG= -0.660335 TDE= -4.401241 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038137 tlogG= -0.624717 logG= -0.662854 Density= 3.416197 ETOT(band)= -1.570111 trlgG= -2.242194 logG= -0.662854 TDE= -4.403994 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038395 tlogG= -0.614082 logG= -0.652477 Density= 3.418691 ETOT(band)= -1.560063 trlgG= -2.221456 logG= -0.652477 TDE= -4.395695 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038562 tlogG= -0.613334 logG= -0.651896 Density= 3.419611 ETOT(band)= -1.558607 trlgG= -2.221034 logG= -0.651896 TDE= -4.396614 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038237 tlogG= -0.617722 logG= -0.655960 Density= 3.417450 ETOT(band)= -1.563932 trlgG= -2.227904 logG= -0.655960 TDE= -4.397634 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038220 tlogG= -0.622285 logG= -0.660505 Density= 3.417425 ETOT(band)= -1.567354 trlgG= -2.235304 logG= -0.660505 TDE= -4.400469 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038090 tlogG= -0.623434 logG= -0.661524 Density= 3.416621 ETOT(band)= -1.568954 trlgG= -2.237484 logG= -0.661524 TDE= -4.400963 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038056 tlogG= -0.620840 logG= -0.658896 Density= 3.416751 ETOT(band)= -1.567041 trlgG= -2.232610 logG= -0.658896 TDE= -4.398826 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038453 tlogG= -0.615604 logG= -0.654057 Density= 3.418553 ETOT(band)= -1.561178 trlgG= -2.225231 logG= -0.654057 TDE= -4.397775 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038066 tlogG= -0.626970 logG= -0.665036 Density= 3.415946 ETOT(band)= -1.571970 trlgG= -2.245842 logG= -0.665036 TDE= -4.405252 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038807 tlogG= -0.609576 logG= -0.648382 Density= 3.420936 ETOT(band)= -1.554438 trlgG= -2.215562 logG= -0.648382 TDE= -4.395752 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038481 tlogG= -0.613494 logG= -0.651974 Density= 3.418978 ETOT(band)= -1.559282 trlgG= -2.221664 logG= -0.651974 TDE= -4.396643 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038269 tlogG= -0.620155 logG= -0.658424 Density= 3.417939 ETOT(band)= -1.565402 trlgG= -2.230728 logG= -0.658424 TDE= -4.398398 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038369 tlogG= -0.620370 logG= -0.658739 Density= 3.418904 ETOT(band)= -1.564848 trlgG= -2.229865 logG= -0.658739 TDE= -4.398018 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038495 tlogG= -0.613920 logG= -0.652415 Density= 3.419416 ETOT(band)= -1.559335 trlgG= -2.220758 logG= -0.652415 TDE= -4.395658 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038120 tlogG= -0.625087 logG= -0.663207 Density= 3.416477 ETOT(band)= -1.570187 trlgG= -2.241752 logG= -0.663207 TDE= -4.403430 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038119 tlogG= -0.620336 logG= -0.658455 Density= 3.416445 ETOT(band)= -1.566815 trlgG= -2.232432 logG= -0.658455 TDE= -4.398835 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038570 tlogG= -0.611087 logG= -0.649657 Density= 3.419839 ETOT(band)= -1.556719 trlgG= -2.216515 logG= -0.649657 TDE= -4.394523 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038072 tlogG= -0.625534 logG= -0.663606 Density= 3.416438 ETOT(band)= -1.570645 trlgG= -2.241184 logG= -0.663606 TDE= -4.402431 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037977 tlogG= -0.625682 logG= -0.663659 Density= 3.415824 ETOT(band)= -1.571289 trlgG= -2.241921 logG= -0.663659 TDE= -4.402607 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038302 tlogG= -0.619360 logG= -0.657662 Density= 3.417661 ETOT(band)= -1.564810 trlgG= -2.230691 logG= -0.657662 TDE= -4.398892 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038235 tlogG= -0.622568 logG= -0.660804 Density= 3.417776 ETOT(band)= -1.567389 trlgG= -2.234753 logG= -0.660804 TDE= -4.399909 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038288 tlogG= -0.617314 logG= -0.655602 Density= 3.417456 ETOT(band)= -1.563541 trlgG= -2.227804 logG= -0.655602 TDE= -4.397896 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038208 tlogG= -0.621958 logG= -0.660166 Density= 3.417116 ETOT(band)= -1.567245 trlgG= -2.235640 logG= -0.660166 TDE= -4.400887 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038404 tlogG= -0.617024 logG= -0.655428 Density= 3.418483 ETOT(band)= -1.562320 trlgG= -2.226738 logG= -0.655428 TDE= -4.397854 logGD-logG0= -0.038061 tlogG= -0.622588 logG= -0.660649 Density= 3.416255 ETOT(band)= -1.568663 trlgG= -2.236768 logG= -0.660649 TDE= -4.400820 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038568 tlogG= -0.612876 logG= -0.651444 Density= 3.419266 ETOT(band)= -1.558468 trlgG= -2.221144 logG= -0.651444 TDE= -4.396891 logGD-logG0= -0.038393 tlogG= -0.616122 logG= -0.654514 Density= 3.418419 ETOT(band)= -1.561781 trlgG= -2.225534 logG= -0.654514 TDE= -4.397510 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038410 tlogG= -0.617754 logG= -0.656164 Density= 3.419025 ETOT(band)= -1.562690 trlgG= -2.226133 logG= -0.656164 TDE= -4.396961 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038189 tlogG= -0.619964 logG= -0.658154 Density= 3.417056 ETOT(band)= -1.565942 trlgG= -2.231760 logG= -0.658154 TDE= -4.398970 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038631 tlogG= -0.612731 logG= -0.651363 Density= 3.419835 ETOT(band)= -1.557841 trlgG= -2.220597 logG= -0.651363 TDE= -4.396896 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038010 tlogG= -0.622912 logG= -0.660922 Density= 3.416256 ETOT(band)= -1.568953 trlgG= -2.236631 logG= -0.660922 TDE= -4.400411 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038306 tlogG= -0.620172 logG= -0.658478 Density= 3.418256 ETOT(band)= -1.565089 trlgG= -2.230242 logG= -0.658478 TDE= -4.398119 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038404 tlogG= -0.617398 logG= -0.655802 Density= 3.418741 ETOT(band)= -1.562525 trlgG= -2.226610 logG= -0.655802 TDE= -4.397564 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038243 tlogG= -0.619522 logG= -0.657765 Density= 3.417095 ETOT(band)= -1.565489 trlgG= -2.231373 logG= -0.657765 TDE= -4.399004 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038141 tlogG= -0.622993 logG= -0.661134 Density= 3.416652 ETOT(band)= -1.568506 trlgG= -2.237552 logG= -0.661134 TDE= -4.401448 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038688 tlogG= -0.610369 logG= -0.649057 Density= 3.420368 ETOT(band)= -1.555635 trlgG= -2.216507 logG= -0.649057 TDE= -4.395552 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038173 tlogG= -0.624613 logG= -0.662786 Density= 3.416547 ETOT(band)= -1.569675 trlgG= -2.241703 logG= -0.662786 TDE= -4.403860 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038252 tlogG= -0.619964 logG= -0.658216 Density= 3.417661 ETOT(band)= -1.565286 trlgG= -2.230604 logG= -0.658216 TDE= -4.398252 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038195 tlogG= -0.622535 logG= -0.660730 Density= 3.416728 ETOT(band)= -1.568013 trlgG= -2.237467 logG= -0.660730 TDE= -4.401829 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038056 tlogG= -0.625218 logG= -0.663275 Density= 3.416002 ETOT(band)= -1.570729 trlgG= -2.242360 logG= -0.663275 TDE= -4.403577 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 Sum of eigenvalues= -1022.14136599549 eV TrLogG= -1457.77341157337 eV Ratio to renormalize= 0.999716792747 rho-rho_expected= 0.046459147129 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 35) Finished k-point number 36 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 30) Finished k-point number 31 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 8) Finished k-point number 9 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.801091454190774 0.803152260819297 0.802958083976196 0.800662458437184 0.803683763270971 0.802917973141459 0.801383956951813 0.803016929644568 0.803061255820026 0.801293110827796 0.803219082165921 0.802963788227066 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038483 tlogG= -0.613462 logG= -0.651946 Density= 3.418985 ETOT(band)= -1.559208 trlgG= -2.221566 logG= -0.651946 TDE= -4.396579 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038140 tlogG= -0.624686 logG= -0.662826 Density= 3.416202 ETOT(band)= -1.570038 trlgG= -2.242093 logG= -0.662826 TDE= -4.403925 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038406 tlogG= -0.616994 logG= -0.655400 Density= 3.418488 ETOT(band)= -1.562247 trlgG= -2.226640 logG= -0.655400 TDE= -4.397788 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038074 tlogG= -0.625503 logG= -0.663578 Density= 3.416443 ETOT(band)= -1.570572 trlgG= -2.241083 logG= -0.663578 TDE= -4.402362 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038245 tlogG= -0.619491 logG= -0.657737 Density= 3.417100 ETOT(band)= -1.565416 trlgG= -2.231272 logG= -0.657737 TDE= -4.398936 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038138 tlogG= -0.620334 logG= -0.658472 Density= 3.417036 ETOT(band)= -1.566263 trlgG= -2.231666 logG= -0.658472 TDE= -4.398541 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038398 tlogG= -0.614050 logG= -0.652448 Density= 3.418698 ETOT(band)= -1.559988 trlgG= -2.221357 logG= -0.652448 TDE= -4.395630 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038167 tlogG= -0.626344 logG= -0.664511 Density= 3.416268 ETOT(band)= -1.571094 trlgG= -2.245365 logG= -0.664511 TDE= -4.405566 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038289 tlogG= -0.619747 logG= -0.658036 Density= 3.417787 ETOT(band)= -1.565067 trlgG= -2.230774 logG= -0.658036 TDE= -4.398706 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038122 tlogG= -0.620305 logG= -0.658427 Density= 3.416450 ETOT(band)= -1.566742 trlgG= -2.232331 logG= -0.658427 TDE= -4.398766 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038339 tlogG= -0.616604 logG= -0.654943 Density= 3.418325 ETOT(band)= -1.562285 trlgG= -2.225280 logG= -0.654943 TDE= -4.396750 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.037974 tlogG= -0.627496 logG= -0.665471 Density= 3.415670 ETOT(band)= -1.572634 trlgG= -2.245324 logG= -0.665471 TDE= -4.404071 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038395 tlogG= -0.616090 logG= -0.654486 Density= 3.418424 ETOT(band)= -1.561707 trlgG= -2.225436 logG= -0.654486 TDE= -4.397445 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038092 tlogG= -0.623404 logG= -0.661496 Density= 3.416626 ETOT(band)= -1.568881 trlgG= -2.237382 logG= -0.661496 TDE= -4.400894 logGD-logG0= -0.038573 tlogG= -0.611055 logG= -0.649628 Density= 3.419846 ETOT(band)= -1.556644 trlgG= -2.216415 logG= -0.649628 TDE= -4.394458 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038222 tlogG= -0.622254 logG= -0.660477 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 Density= 3.417429 ETOT(band)= -1.567282 trlgG= -2.235204 logG= -0.660477 TDE= -4.400399 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038238 tlogG= -0.622538 logG= -0.660776 Density= 3.417779 ETOT(band)= -1.567317 trlgG= -2.234653 logG= -0.660776 TDE= -4.399839 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038064 tlogG= -0.622558 logG= -0.660621 Density= 3.416260 ETOT(band)= -1.568590 trlgG= -2.236667 logG= -0.660621 TDE= -4.400751 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038240 tlogG= -0.617692 logG= -0.655931 Density= 3.417456 ETOT(band)= -1.563858 trlgG= -2.227805 logG= -0.655931 TDE= -4.397568 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038192 tlogG= -0.619933 logG= -0.658125 Density= 3.417061 ETOT(band)= -1.565869 trlgG= -2.231659 logG= -0.658125 TDE= -4.398901 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038413 tlogG= -0.617723 logG= -0.656136 Density= 3.419029 ETOT(band)= -1.562618 trlgG= -2.226035 logG= -0.656136 TDE= -4.396894 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038456 tlogG= -0.615573 logG= -0.654029 Density= 3.418558 ETOT(band)= -1.561104 trlgG= -2.225133 logG= -0.654029 TDE= -4.397710 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038121 tlogG= -0.622187 logG= -0.660307 Density= 3.416269 ETOT(band)= -1.568241 trlgG= -2.236765 logG= -0.660307 TDE= -4.401171 logGD-logG0= -0.038565 tlogG= -0.613303 logG= -0.651867 Density= 3.419617 ETOT(band)= -1.558532 trlgG= -2.220936 logG= -0.651867 TDE= -4.396550 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038271 tlogG= -0.620124 logG= -0.658395 Density= 3.417943 ETOT(band)= -1.565329 trlgG= -2.230627 logG= -0.658395 TDE= -4.398329 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038059 tlogG= -0.620809 logG= -0.658868 Density= 3.416756 ETOT(band)= -1.566968 trlgG= -2.232509 logG= -0.658868 TDE= -4.398757 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.038570 tlogG= -0.612845 logG= -0.651415 Density= 3.419272 ETOT(band)= -1.558393 trlgG= -2.221045 logG= -0.651415 TDE= -4.396827 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038059 tlogG= -0.625188 logG= -0.663247 Density= 3.416006 ETOT(band)= -1.570656 trlgG= -2.242259 logG= -0.663247 TDE= -4.403508 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038087 tlogG= -0.620563 logG= -0.658650 Density= 3.416599 ETOT(band)= -1.566863 trlgG= -2.232358 logG= -0.658650 TDE= -4.398694 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.037980 tlogG= -0.625651 logG= -0.663631 Density= 3.415828 ETOT(band)= -1.571216 trlgG= -2.241820 logG= -0.663631 TDE= -4.402538 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038197 tlogG= -0.622505 logG= -0.660702 Density= 3.416732 ETOT(band)= -1.567940 trlgG= -2.237366 logG= -0.660702 TDE= -4.401760 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.038407 tlogG= -0.617367 logG= -0.655774 Density= 3.418745 ETOT(band)= -1.562453 trlgG= -2.226511 logG= -0.655774 TDE= -4.397498 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038185 tlogG= -0.618072 logG= -0.656257 Density= 3.417451 ETOT(band)= -1.564220 trlgG= -2.227577 logG= -0.656257 TDE= -4.397010 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038809 tlogG= -0.609544 logG= -0.648353 Density= 3.420943 ETOT(band)= -1.554362 trlgG= -2.215463 logG= -0.648353 TDE= -4.395687 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038176 tlogG= -0.624582 logG= -0.662758 Density= 3.416551 ETOT(band)= -1.569602 trlgG= -2.241602 logG= -0.662758 TDE= -4.403791 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038069 tlogG= -0.626939 logG= -0.665008 Density= 3.415950 ETOT(band)= -1.571897 trlgG= -2.245741 logG= -0.665008 TDE= -4.405183 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038122 tlogG= -0.625057 logG= -0.663179 Density= 3.416481 ETOT(band)= -1.570114 trlgG= -2.241651 logG= -0.663179 TDE= -4.403360 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038309 tlogG= -0.620141 logG= -0.658450 Density= 3.418259 ETOT(band)= -1.565017 trlgG= -2.230141 logG= -0.658450 TDE= -4.398050 logGD-logG0= -0.038144 tlogG= -0.622963 logG= -0.661106 Density= 3.416657 ETOT(band)= -1.568433 trlgG= -2.237451 logG= -0.661106 TDE= -4.401378 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038305 tlogG= -0.619329 logG= -0.657634 Density= 3.417666 ETOT(band)= -1.564737 trlgG= -2.230591 logG= -0.657634 TDE= -4.398825 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038498 tlogG= -0.613889 logG= -0.652387 Density= 3.419421 ETOT(band)= -1.559261 trlgG= -2.220660 logG= -0.652387 TDE= -4.395593 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038634 tlogG= -0.612700 logG= -0.651334 Density= 3.419841 ETOT(band)= -1.557766 trlgG= -2.220499 logG= -0.651334 TDE= -4.396832 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038691 tlogG= -0.610337 logG= -0.649028 Density= 3.420375 ETOT(band)= -1.555559 trlgG= -2.216408 logG= -0.649028 TDE= -4.395488 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038254 tlogG= -0.619934 logG= -0.658188 Density= 3.417665 ETOT(band)= -1.565214 trlgG= -2.230503 logG= -0.658188 TDE= -4.398183 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038013 tlogG= -0.622882 logG= -0.660894 Density= 3.416260 ETOT(band)= -1.568880 trlgG= -2.236530 logG= -0.660894 TDE= -4.400341 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038211 tlogG= -0.621928 logG= -0.660138 Density= 3.417120 ETOT(band)= -1.567172 trlgG= -2.235540 logG= -0.660138 TDE= -4.400818 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038371 tlogG= -0.620340 logG= -0.658711 Density= 3.418908 ETOT(band)= -1.564776 trlgG= -2.229765 logG= -0.658711 TDE= -4.397949 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038291 tlogG= -0.617283 logG= -0.655574 Density= 3.417461 ETOT(band)= -1.563467 trlgG= -2.227705 logG= -0.655574 TDE= -4.397830 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1022.09346125969 eV TrLogG= -1457.71070348619 eV Ratio to renormalize= 0.999715330712 rho-rho_expected= 0.046699057044 nargs= 1 argi=dmft2.def 27) Finished k-point number 28 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 39) Finished k-point number 40 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 10) Finished k-point number 11 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 4) Finished k-point number 5 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800861079275785 0.802635496678211 0.802827978689608 0.800434489344592 0.803168923413597 0.802789574666656 0.801156983871017 0.802497085748855 0.802928259785952 0.801066757630223 0.802700765621331 0.802834046041628 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038240 tlogG= -0.620087 logG= -0.658327 Density= 3.417674 ETOT(band)= -1.565804 trlgG= -2.231790 logG= -0.658327 TDE= -4.399338 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.037926 tlogG= -0.627833 logG= -0.665760 Density= 3.415557 ETOT(band)= -1.573372 trlgG= -2.246362 logG= -0.665760 TDE= -4.404727 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038345 tlogG= -0.616437 logG= -0.654782 Density= 3.418299 ETOT(band)= -1.562457 trlgG= -2.226418 logG= -0.654782 TDE= -4.398027 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038347 tlogG= -0.614400 logG= -0.652747 Density= 3.418566 ETOT(band)= -1.560744 trlgG= -2.222356 logG= -0.652747 TDE= -4.396222 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038073 tlogG= -0.622528 logG= -0.660600 Density= 3.416154 ETOT(band)= -1.568983 trlgG= -2.237808 logG= -0.660600 TDE= -4.401826 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038136 tlogG= -0.618415 logG= -0.656551 Density= 3.417332 ETOT(band)= -1.564964 trlgG= -2.228587 logG= -0.656551 TDE= -4.397628 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038433 tlogG= -0.613813 logG= -0.652245 Density= 3.418851 ETOT(band)= -1.559966 trlgG= -2.222555 logG= -0.652245 TDE= -4.397158 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038290 tlogG= -0.616948 logG= -0.655238 Density= 3.418203 ETOT(band)= -1.563031 trlgG= -2.226275 logG= -0.655238 TDE= -4.397349 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038174 tlogG= -0.622591 logG= -0.660765 Density= 3.417326 ETOT(band)= -1.568010 trlgG= -2.236231 logG= -0.660765 TDE= -4.401053 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038073 tlogG= -0.620648 logG= -0.658721 Density= 3.416332 ETOT(band)= -1.567485 trlgG= -2.233383 logG= -0.658721 TDE= -4.399427 logGD-logG0= -0.038095 tlogG= -0.623302 logG= -0.661397 Density= 3.416544 ETOT(band)= -1.569172 trlgG= -2.238489 logG= -0.661397 TDE= -4.402032 logGD-logG0= -0.038406 tlogG= -0.615920 logG= -0.654326 Density= 3.418431 ETOT(band)= -1.561857 trlgG= -2.226116 logG= -0.654326 TDE= -4.398291 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038757 tlogG= -0.609900 logG= -0.648657 Density= 3.420800 ETOT(band)= -1.555131 trlgG= -2.216464 logG= -0.648657 TDE= -4.396266 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038190 tlogG= -0.622873 logG= -0.661063 Density= 3.417680 ETOT(band)= -1.568040 trlgG= -2.235681 logG= -0.661063 TDE= -4.400497 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038089 tlogG= -0.620675 logG= -0.658764 Density= 3.416920 ETOT(band)= -1.567004 trlgG= -2.232707 logG= -0.658764 TDE= -4.399194 logGD-logG0= -0.038119 tlogG= -0.626683 logG= -0.664802 Density= 3.416160 ETOT(band)= -1.571832 trlgG= -2.246397 logG= -0.664802 TDE= -4.406218 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038256 tlogG= -0.619671 logG= -0.657927 Density= 3.417550 ETOT(band)= -1.565478 trlgG= -2.231607 logG= -0.657927 TDE= -4.399453 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038026 tlogG= -0.625839 logG= -0.663866 Density= 3.416335 ETOT(band)= -1.571305 trlgG= -2.242116 logG= -0.663866 TDE= -4.403018 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038044 tlogG= -0.623742 logG= -0.661786 Density= 3.416514 ETOT(band)= -1.569617 trlgG= -2.238423 logG= -0.661786 TDE= -4.401553 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038357 tlogG= -0.617336 logG= -0.655693 Density= 3.418373 ETOT(band)= -1.562986 trlgG= -2.227637 logG= -0.655693 TDE= -4.398397 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038092 tlogG= -0.625026 logG= -0.663118 Density= 3.416091 ETOT(band)= -1.570777 trlgG= -2.243129 logG= -0.663118 TDE= -4.404577 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038358 tlogG= -0.617708 logG= -0.656066 Density= 3.418634 ETOT(band)= -1.563187 trlgG= -2.227508 logG= -0.656066 TDE= -4.398110 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038242 tlogG= -0.617629 logG= -0.655871 Density= 3.417337 ETOT(band)= -1.564217 trlgG= -2.228709 logG= -0.655871 TDE= -4.398434 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038020 tlogG= -0.627277 logG= -0.665298 Density= 3.415840 ETOT(band)= -1.572635 trlgG= -2.246775 logG= -0.665298 TDE= -4.405835 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.037932 tlogG= -0.625988 logG= -0.663920 Density= 3.415716 ETOT(band)= -1.571953 trlgG= -2.242861 logG= -0.663920 TDE= -4.403196 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038010 tlogG= -0.621148 logG= -0.659158 Density= 3.416645 ETOT(band)= -1.567704 trlgG= -2.233553 logG= -0.659158 TDE= -4.399419 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038519 tlogG= -0.613196 logG= -0.651716 Density= 3.419137 ETOT(band)= -1.559154 trlgG= -2.222038 logG= -0.651716 TDE= -4.397406 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038206 tlogG= -0.620271 logG= -0.658477 Density= 3.417561 ETOT(band)= -1.565942 trlgG= -2.231540 logG= -0.658477 TDE= -4.398844 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038143 tlogG= -0.620276 logG= -0.658419 Density= 3.416942 ETOT(band)= -1.566612 trlgG= -2.232701 logG= -0.658419 TDE= -4.399552 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038223 tlogG= -0.620463 logG= -0.658686 Density= 3.417834 ETOT(band)= -1.566062 trlgG= -2.231648 logG= -0.658686 TDE= -4.398969 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038163 tlogG= -0.622266 logG= -0.660428 Density= 3.417013 ETOT(band)= -1.567904 trlgG= -2.236572 logG= -0.660428 TDE= -4.401472 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038149 tlogG= -0.622846 logG= -0.660994 Density= 3.416619 ETOT(band)= -1.568681 trlgG= -2.238406 logG= -0.660994 TDE= -4.402414 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038016 tlogG= -0.622897 logG= -0.660913 Density= 3.416146 ETOT(band)= -1.569328 trlgG= -2.237708 logG= -0.660913 TDE= -4.401407 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038197 tlogG= -0.619835 logG= -0.658032 Density= 3.416979 ETOT(band)= -1.566163 trlgG= -2.232316 logG= -0.658032 TDE= -4.399584 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038074 tlogG= -0.625394 logG= -0.663468 Density= 3.416373 ETOT(band)= -1.570848 trlgG= -2.242681 logG= -0.663468 TDE= -4.404012 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.037965 tlogG= -0.623219 logG= -0.661184 Density= 3.416148 ETOT(band)= -1.569616 trlgG= -2.237573 logG= -0.661184 TDE= -4.401003 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038639 tlogG= -0.610692 logG= -0.649331 Density= 3.420232 ETOT(band)= -1.556327 trlgG= -2.217406 logG= -0.649331 TDE= -4.396065 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038364 tlogG= -0.618062 logG= -0.656426 Density= 3.418923 ETOT(band)= -1.563348 trlgG= -2.227028 logG= -0.656426 TDE= -4.397508 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038011 tlogG= -0.625526 logG= -0.663537 Density= 3.415894 ETOT(band)= -1.571394 trlgG= -2.243295 logG= -0.663537 TDE= -4.404161 logGD-logG0= -0.038447 tlogG= -0.614236 logG= -0.652684 Density= 3.419295 ETOT(band)= -1.560011 trlgG= -2.221650 logG= -0.652684 TDE= -4.396182 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038128 tlogG= -0.624921 logG= -0.663049 Density= 3.416443 ETOT(band)= -1.570338 trlgG= -2.242634 logG= -0.663049 TDE= -4.404442 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038521 tlogG= -0.611409 logG= -0.649930 Density= 3.419704 ETOT(band)= -1.557409 trlgG= -2.217416 logG= -0.649930 TDE= -4.395040 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038038 tlogG= -0.620903 logG= -0.658942 Density= 3.416485 ETOT(band)= -1.567602 trlgG= -2.233406 logG= -0.658942 TDE= -4.399356 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038583 tlogG= -0.613050 logG= -0.651633 Density= 3.419711 ETOT(band)= -1.558522 trlgG= -2.221484 logG= -0.651633 TDE= -4.397410 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038191 tlogG= -0.618036 logG= -0.656227 Density= 3.417334 ETOT(band)= -1.564605 trlgG= -2.228811 logG= -0.656227 TDE= -4.398178 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038324 tlogG= -0.620674 logG= -0.658997 Density= 3.418815 ETOT(band)= -1.565493 trlgG= -2.230787 logG= -0.658997 TDE= -4.398608 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038514 tlogG= -0.613651 logG= -0.652165 Density= 3.419488 ETOT(band)= -1.559285 trlgG= -2.221918 logG= -0.652165 TDE= -4.397128 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038261 tlogG= -0.620477 logG= -0.658738 Density= 3.418160 ETOT(band)= -1.565740 trlgG= -2.231171 logG= -0.658738 TDE= -4.398709 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1022.57785901668 eV TrLogG= -1458.31395080668 eV Ratio to renormalize= 0.999749458057 rho-rho_expected= 0.041099175669 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 44) Finished k-point number 45 1 with #bands= 107 8) Finished k-point number 9 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 20) Finished k-point number 21 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800917815223077 0.802691329711416 0.802893175198276 0.800488727391646 0.803226602418125 0.802850668299694 0.801211703596470 0.802554945461191 0.802994126175509 0.801122184554211 0.802759546087276 0.802896500860656 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038605 tlogG= -0.621120 logG= -0.659725 Density= 3.417078 ETOT(band)= -1.567289 trlgG= -2.233725 logG= -0.659725 TDE= -4.399382 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038687 tlogG= -0.620646 logG= -0.659332 Density= 3.417353 ETOT(band)= -1.566590 trlgG= -2.232885 logG= -0.659332 TDE= -4.399162 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038947 tlogG= -0.616404 logG= -0.655351 Density= 3.418717 ETOT(band)= -1.562055 trlgG= -2.226627 logG= -0.655351 TDE= -4.398012 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039036 tlogG= -0.613779 logG= -0.652815 Density= 3.419255 ETOT(band)= -1.559576 trlgG= -2.222777 logG= -0.652815 TDE= -4.397144 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038736 tlogG= -0.618385 logG= -0.657121 Density= 3.417768 ETOT(band)= -1.564550 trlgG= -2.228771 logG= -0.657121 TDE= -4.397603 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038675 tlogG= -0.624998 logG= -0.663674 Density= 3.416477 ETOT(band)= -1.570380 trlgG= -2.243338 logG= -0.663674 TDE= -4.404550 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038665 tlogG= -0.620619 logG= -0.659285 Density= 3.416769 ETOT(band)= -1.567061 trlgG= -2.233554 logG= -0.659285 TDE= -4.399396 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038515 tlogG= -0.627806 logG= -0.666321 Density= 3.415965 ETOT(band)= -1.572967 trlgG= -2.246556 logG= -0.666321 TDE= -4.404697 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038862 tlogG= -0.620447 logG= -0.659309 Density= 3.418591 ETOT(band)= -1.565329 trlgG= -2.231354 logG= -0.659309 TDE= -4.398677 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038839 tlogG= -0.620056 logG= -0.658895 Density= 3.418098 ETOT(band)= -1.565394 trlgG= -2.231981 logG= -0.658895 TDE= -4.399311 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038700 tlogG= -0.626655 logG= -0.665355 Density= 3.416526 ETOT(band)= -1.571446 trlgG= -2.246621 logG= -0.665355 TDE= -4.406191 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038619 tlogG= -0.625811 logG= -0.664430 Density= 3.416750 ETOT(band)= -1.570898 trlgG= -2.242305 logG= -0.664430 TDE= -4.402986 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038639 tlogG= -0.623713 logG= -0.662352 Density= 3.416939 ETOT(band)= -1.569206 trlgG= -2.238605 logG= -0.662352 TDE= -4.401520 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038824 tlogG= -0.620433 logG= -0.659257 Density= 3.418265 ETOT(band)= -1.565652 trlgG= -2.231832 logG= -0.659257 TDE= -4.398939 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038789 tlogG= -0.622843 logG= -0.661632 Density= 3.418101 ETOT(band)= -1.567636 trlgG= -2.235868 logG= -0.661632 TDE= -4.400463 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039004 tlogG= -0.615888 logG= -0.654892 Density= 3.418828 ETOT(band)= -1.561465 trlgG= -2.226340 logG= -0.654892 TDE= -4.398277 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038632 tlogG= -0.620875 logG= -0.659507 Density= 3.416920 ETOT(band)= -1.567183 trlgG= -2.233579 logG= -0.659507 TDE= -4.399324 logGD-logG0= -0.038961 tlogG= -0.617676 logG= -0.656638 Density= 3.419058 ETOT(band)= -1.562783 trlgG= -2.227708 logG= -0.656638 TDE= -4.398090 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038837 tlogG= -0.617598 logG= -0.656435 Density= 3.417758 ETOT(band)= -1.563806 trlgG= -2.228907 logG= -0.656435 TDE= -4.398416 logGD-logG0= -0.038661 tlogG= -0.622499 logG= -0.661160 Density= 3.416570 ETOT(band)= -1.568569 trlgG= -2.237998 logG= -0.661160 TDE= -4.401799 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038954 tlogG= -0.614366 logG= -0.653320 Density= 3.418997 ETOT(band)= -1.560339 trlgG= -2.222556 logG= -0.653320 TDE= -4.396204 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038606 tlogG= -0.622869 logG= -0.661475 Density= 3.416568 ETOT(band)= -1.568915 trlgG= -2.237894 logG= -0.661475 TDE= -4.401379 logGD-logG0= -0.038664 tlogG= -0.625365 logG= -0.664029 Density= 3.416776 ETOT(band)= -1.570446 trlgG= -2.242882 logG= -0.664029 TDE= -4.403985 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038605 tlogG= -0.627249 logG= -0.665855 Density= 3.416228 ETOT(band)= -1.572239 trlgG= -2.246984 logG= -0.665855 TDE= -4.405808 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038714 tlogG= -0.624893 logG= -0.663607 Density= 3.416831 ETOT(band)= -1.569941 trlgG= -2.242844 logG= -0.663607 TDE= -4.404415 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038598 tlogG= -0.625499 logG= -0.664096 Density= 3.416296 ETOT(band)= -1.570991 trlgG= -2.243494 logG= -0.664096 TDE= -4.404133 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038894 tlogG= -0.616916 logG= -0.655810 Density= 3.418638 ETOT(band)= -1.562621 trlgG= -2.226466 logG= -0.655810 TDE= -4.397328 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038771 tlogG= -0.622561 logG= -0.661332 Density= 3.417746 ETOT(band)= -1.567602 trlgG= -2.236422 logG= -0.661332 TDE= -4.401025 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038687 tlogG= -0.623273 logG= -0.661960 Density= 3.416958 ETOT(band)= -1.568763 trlgG= -2.238681 logG= -0.661960 TDE= -4.402004 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038737 tlogG= -0.622816 logG= -0.661554 Density= 3.417019 ETOT(band)= -1.568277 trlgG= -2.238607 logG= -0.661554 TDE= -4.402386 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039247 tlogG= -0.610656 logG= -0.649903 Density= 3.420600 ETOT(band)= -1.555967 trlgG= -2.217661 logG= -0.649903 TDE= -4.396052 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038970 tlogG= -0.618031 logG= -0.657001 Density= 3.419353 ETOT(band)= -1.562944 trlgG= -2.227220 logG= -0.657001 TDE= -4.397482 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038852 tlogG= -0.619641 logG= -0.658492 Density= 3.417964 ETOT(band)= -1.565071 trlgG= -2.231807 logG= -0.658492 TDE= -4.399429 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038805 tlogG= -0.620241 logG= -0.659046 Density= 3.417996 ETOT(band)= -1.565524 trlgG= -2.231720 logG= -0.659046 TDE= -4.398814 logGD-logG0= -0.038958 tlogG= -0.617304 logG= -0.656262 Density= 3.418787 ETOT(band)= -1.562584 trlgG= -2.227844 logG= -0.656262 TDE= -4.398377 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039360 tlogG= -0.609864 logG= -0.649224 Density= 3.421111 ETOT(band)= -1.554808 trlgG= -2.216760 logG= -0.649224 TDE= -4.396253 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038738 tlogG= -0.620246 logG= -0.658984 Density= 3.417366 ETOT(band)= -1.566200 trlgG= -2.232886 logG= -0.658984 TDE= -4.399522 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038789 tlogG= -0.619805 logG= -0.658594 Density= 3.417394 ETOT(band)= -1.565752 trlgG= -2.232506 logG= -0.658594 TDE= -4.399556 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038522 tlogG= -0.625961 logG= -0.664482 Density= 3.416131 ETOT(band)= -1.571545 trlgG= -2.243047 logG= -0.664482 TDE= -4.403164 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038557 tlogG= -0.623192 logG= -0.661749 Density= 3.416574 ETOT(band)= -1.569204 trlgG= -2.237750 logG= -0.661749 TDE= -4.400967 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038927 tlogG= -0.620644 logG= -0.659571 Density= 3.419237 ETOT(band)= -1.565093 trlgG= -2.230975 logG= -0.659571 TDE= -4.398572 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039134 tlogG= -0.611373 logG= -0.650507 Density= 3.420117 ETOT(band)= -1.557022 trlgG= -2.217637 logG= -0.650507 TDE= -4.395025 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039057 tlogG= -0.614202 logG= -0.653260 Density= 3.419722 ETOT(band)= -1.559611 trlgG= -2.221856 logG= -0.653260 TDE= -4.396164 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038757 tlogG= -0.622236 logG= -0.660993 Density= 3.417430 ETOT(band)= -1.567494 trlgG= -2.236764 logG= -0.660993 TDE= -4.401444 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039119 tlogG= -0.613163 logG= -0.652282 Density= 3.419512 ETOT(band)= -1.558780 trlgG= -2.222280 logG= -0.652282 TDE= -4.397393 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039185 tlogG= -0.613016 logG= -0.652201 Density= 3.420075 ETOT(band)= -1.558158 trlgG= -2.221737 logG= -0.652201 TDE= -4.397396 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039120 tlogG= -0.613617 logG= -0.652738 Density= 3.419887 ETOT(band)= -1.558901 trlgG= -2.222147 logG= -0.652738 TDE= -4.397114 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038788 tlogG= -0.618006 logG= -0.656794 Density= 3.417762 ETOT(band)= -1.564193 trlgG= -2.229005 logG= -0.656794 TDE= -4.398159 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 Sum of eigenvalues= -1022.31563911442 eV TrLogG= -1458.66739260697 eV Ratio to renormalize= 0.999629022385 rho-rho_expected= 0.060862907701 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 39) Finished k-point number 40 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 20) Finished k-point number 21 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 11) Finished k-point number 12 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 4) Finished k-point number 5 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.801197456263261 0.803263684663622 0.803099266658900 0.800768561417766 0.803795141972181 0.803059155008279 0.801489352964552 0.803128541449283 0.803202390971424 0.801397980816529 0.803330177766528 0.803106219939530 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039017 tlogG= -0.614209 logG= -0.653226 Density= 3.419205 ETOT(band)= -1.560397 trlgG= -2.222586 logG= -0.653226 TDE= -4.396501 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038726 tlogG= -0.620464 logG= -0.659190 Density= 3.416960 ETOT(band)= -1.567130 trlgG= -2.233509 logG= -0.659190 TDE= -4.399604 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038956 tlogG= -0.616762 logG= -0.655718 Density= 3.418838 ETOT(band)= -1.562686 trlgG= -2.226496 logG= -0.655718 TDE= -4.397615 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038736 tlogG= -0.624844 logG= -0.663579 Density= 3.416665 ETOT(band)= -1.570451 trlgG= -2.243313 logG= -0.663579 TDE= -4.404774 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039099 tlogG= -0.613621 logG= -0.652720 Density= 3.419465 ETOT(band)= -1.559632 trlgG= -2.222819 logG= -0.652720 TDE= -4.397456 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039020 tlogG= -0.617151 logG= -0.656171 Density= 3.418983 ETOT(band)= -1.562654 trlgG= -2.227871 logG= -0.656171 TDE= -4.398658 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038721 tlogG= -0.622345 logG= -0.661066 Density= 3.416760 ETOT(band)= -1.568639 trlgG= -2.237969 logG= -0.661066 TDE= -4.402021 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038679 tlogG= -0.625661 logG= -0.664341 Density= 3.416935 ETOT(band)= -1.570976 trlgG= -2.242280 logG= -0.664341 TDE= -4.403203 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038575 tlogG= -0.627654 logG= -0.666229 Density= 3.416153 ETOT(band)= -1.573040 trlgG= -2.246532 logG= -0.666229 TDE= -4.404920 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038666 tlogG= -0.620970 logG= -0.659635 Density= 3.417265 ETOT(band)= -1.567367 trlgG= -2.233680 logG= -0.659635 TDE= -4.399581 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038831 tlogG= -0.622412 logG= -0.661244 Density= 3.417930 ETOT(band)= -1.567682 trlgG= -2.236407 logG= -0.661244 TDE= -4.401249 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038849 tlogG= -0.622696 logG= -0.661545 Density= 3.418281 ETOT(band)= -1.567721 trlgG= -2.235842 logG= -0.661545 TDE= -4.400674 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039249 tlogG= -0.612858 logG= -0.652107 Density= 3.420286 ETOT(band)= -1.558215 trlgG= -2.221780 logG= -0.652107 TDE= -4.397708 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=118 logGD-logG0= -0.038850 tlogG= -0.619649 logG= -0.658499 Density= 3.417590 ETOT(band)= -1.565818 trlgG= -2.232479 logG= -0.658499 TDE= -4.399785 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038666 tlogG= -0.627096 logG= -0.665762 Density= 3.416415 ETOT(band)= -1.572312 trlgG= -2.246961 logG= -0.665762 TDE= -4.406032 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038817 tlogG= -0.622085 logG= -0.660902 Density= 3.417617 ETOT(band)= -1.567570 trlgG= -2.236743 logG= -0.660902 TDE= -4.401668 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038797 tlogG= -0.618232 logG= -0.657029 Density= 3.417962 ETOT(band)= -1.564620 trlgG= -2.228784 logG= -0.657029 TDE= -4.397868 logGD-logG0= -0.038898 tlogG= -0.617442 logG= -0.656340 Density= 3.417957 ETOT(band)= -1.563869 trlgG= -2.228934 logG= -0.656340 TDE= -4.398703 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038699 tlogG= -0.623562 logG= -0.662261 Density= 3.417126 ETOT(band)= -1.569281 trlgG= -2.238570 logG= -0.662261 TDE= -4.401731 logGD-logG0= -0.038748 tlogG= -0.620494 logG= -0.659241 Density= 3.417544 ETOT(band)= -1.566662 trlgG= -2.232857 logG= -0.659241 TDE= -4.399383 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038885 tlogG= -0.620283 logG= -0.659168 Density= 3.418454 ETOT(band)= -1.565729 trlgG= -2.231826 logG= -0.659168 TDE= -4.399177 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039198 tlogG= -0.611213 logG= -0.650411 Density= 3.420338 ETOT(band)= -1.557069 trlgG= -2.217667 logG= -0.650411 TDE= -4.395334 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038798 tlogG= -0.622662 logG= -0.661460 Density= 3.417210 ETOT(band)= -1.568347 trlgG= -2.238579 logG= -0.661460 TDE= -4.402610 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038582 tlogG= -0.625810 logG= -0.664391 Density= 3.416318 ETOT(band)= -1.571620 trlgG= -2.243014 logG= -0.664391 TDE= -4.403376 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038692 tlogG= -0.620723 logG= -0.659415 Density= 3.417109 ETOT(band)= -1.567256 trlgG= -2.233538 logG= -0.659415 TDE= -4.399531 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039120 tlogG= -0.614047 logG= -0.653167 Density= 3.419928 ETOT(band)= -1.559673 trlgG= -2.221894 logG= -0.653167 TDE= -4.396465 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039009 tlogG= -0.616249 logG= -0.655258 Density= 3.418919 ETOT(band)= -1.562117 trlgG= -2.226676 logG= -0.655258 TDE= -4.398322 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038667 tlogG= -0.622717 logG= -0.661383 Density= 3.416756 ETOT(band)= -1.568989 trlgG= -2.237867 logG= -0.661383 TDE= -4.401599 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038658 tlogG= -0.625346 logG= -0.664004 Density= 3.416483 ETOT(band)= -1.571064 trlgG= -2.243471 logG= -0.664004 TDE= -4.404358 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038761 tlogG= -0.626501 logG= -0.665261 Density= 3.416713 ETOT(band)= -1.571517 trlgG= -2.246596 logG= -0.665261 TDE= -4.406415 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039312 tlogG= -0.610495 logG= -0.649806 Density= 3.420823 ETOT(band)= -1.556013 trlgG= -2.217692 logG= -0.649806 TDE= -4.396364 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039031 tlogG= -0.617882 logG= -0.656913 Density= 3.419541 ETOT(band)= -1.563023 trlgG= -2.227245 logG= -0.656913 TDE= -4.397751 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038849 tlogG= -0.617851 logG= -0.656700 Density= 3.417958 ETOT(band)= -1.564260 trlgG= -2.229029 logG= -0.656700 TDE= -4.398439 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=130 logGD-logG0= -0.038724 tlogG= -0.625214 logG= -0.663938 Density= 3.416962 ETOT(band)= -1.570522 trlgG= -2.242863 logG= -0.663938 TDE= -4.404210 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038799 tlogG= -0.620092 logG= -0.658891 Density= 3.417560 ETOT(band)= -1.566269 trlgG= -2.232856 logG= -0.658891 TDE= -4.399745 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038866 tlogG= -0.620091 logG= -0.658958 Density= 3.418183 ETOT(band)= -1.565602 trlgG= -2.231692 logG= -0.658958 TDE= -4.399030 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038775 tlogG= -0.624739 logG= -0.663514 Density= 3.417018 ETOT(band)= -1.570014 trlgG= -2.242821 logG= -0.663514 TDE= -4.404640 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039425 tlogG= -0.609702 logG= -0.649127 Density= 3.421333 ETOT(band)= -1.554853 trlgG= -2.216789 logG= -0.649127 TDE= -4.396563 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039066 tlogG= -0.615731 logG= -0.654797 Density= 3.419033 ETOT(band)= -1.561524 trlgG= -2.226386 logG= -0.654797 TDE= -4.398587 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038900 tlogG= -0.619905 logG= -0.658805 Density= 3.418289 ETOT(band)= -1.565467 trlgG= -2.231981 logG= -0.658805 TDE= -4.399560 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038748 tlogG= -0.623121 logG= -0.661868 Density= 3.417148 ETOT(band)= -1.568836 trlgG= -2.238656 logG= -0.661868 TDE= -4.402227 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038913 tlogG= -0.619487 logG= -0.658400 Density= 3.418158 ETOT(band)= -1.565140 trlgG= -2.231810 logG= -0.658400 TDE= -4.399684 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039182 tlogG= -0.613003 logG= -0.652185 Density= 3.419724 ETOT(band)= -1.558833 trlgG= -2.222319 logG= -0.652185 TDE= -4.397703 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039183 tlogG= -0.613461 logG= -0.652644 Density= 3.420096 ETOT(band)= -1.558960 trlgG= -2.222194 logG= -0.652644 TDE= -4.397427 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038617 tlogG= -0.623041 logG= -0.661659 Density= 3.416761 ETOT(band)= -1.569280 trlgG= -2.237708 logG= -0.661659 TDE= -4.401169 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038987 tlogG= -0.620499 logG= -0.659486 Density= 3.419414 ETOT(band)= -1.565183 trlgG= -2.230948 logG= -0.659486 TDE= -4.398776 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=120 logGD-logG0= -0.039023 tlogG= -0.617525 logG= -0.656548 Density= 3.419250 ETOT(band)= -1.562858 trlgG= -2.227736 logG= -0.656548 TDE= -4.398366 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038923 tlogG= -0.620300 logG= -0.659222 Density= 3.418772 ETOT(band)= -1.565414 trlgG= -2.231327 logG= -0.659222 TDE= -4.398888 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1022.36100241365 eV TrLogG= -1458.77001465664 eV Ratio to renormalize= 0.999572199963 rho-rho_expected= 0.070189233060 nargs= 1 argi=dmft2.def 4) Finished k-point number 5 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 20) Finished k-point number 21 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 15) Finished k-point number 16 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 40) Finished k-point number 41 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800862926966761 0.802533623245822 0.802839212426653 0.800435296325673 0.803069576378445 0.802795403001596 0.801157859592170 0.802396549386385 0.802939897541251 0.801068740709950 0.802602338508851 0.802841383693105 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038686 tlogG= -0.626540 logG= -0.665226 Density= 3.416441 ETOT(band)= -1.570671 trlgG= -2.245712 logG= -0.665226 TDE= -4.405342 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039118 tlogG= -0.611252 logG= -0.650369 Density= 3.420018 ETOT(band)= -1.556255 trlgG= -2.216705 logG= -0.650369 TDE= -4.394148 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038661 tlogG= -0.624882 logG= -0.663543 Density= 3.416394 ETOT(band)= -1.569604 trlgG= -2.242427 logG= -0.663543 TDE= -4.403701 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038809 tlogG= -0.620314 logG= -0.659123 Density= 3.418174 ETOT(band)= -1.564881 trlgG= -2.230921 logG= -0.659123 TDE= -4.398086 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038721 tlogG= -0.618265 logG= -0.656986 Density= 3.417680 ETOT(band)= -1.563776 trlgG= -2.227846 logG= -0.656986 TDE= -4.396740 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038647 tlogG= -0.622382 logG= -0.661029 Density= 3.416488 ETOT(band)= -1.567792 trlgG= -2.237084 logG= -0.661029 TDE= -4.400950 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038624 tlogG= -0.623595 logG= -0.662220 Density= 3.416853 ETOT(band)= -1.568431 trlgG= -2.237702 logG= -0.662220 TDE= -4.400678 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038651 tlogG= -0.620501 logG= -0.659152 Density= 3.416686 ETOT(band)= -1.566284 trlgG= -2.232648 logG= -0.659152 TDE= -4.398554 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038774 tlogG= -0.622725 logG= -0.661499 Density= 3.418011 ETOT(band)= -1.566865 trlgG= -2.234968 logG= -0.661499 TDE= -4.399622 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038507 tlogG= -0.625844 logG= -0.664352 Density= 3.416049 ETOT(band)= -1.570769 trlgG= -2.242142 logG= -0.664352 TDE= -4.402321 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039021 tlogG= -0.613658 logG= -0.652679 Density= 3.419162 ETOT(band)= -1.558805 trlgG= -2.221840 logG= -0.652679 TDE= -4.396267 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038756 tlogG= -0.622443 logG= -0.661199 Density= 3.417657 ETOT(band)= -1.566829 trlgG= -2.235512 logG= -0.661199 TDE= -4.400173 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038592 tlogG= -0.622751 logG= -0.661343 Density= 3.416485 ETOT(band)= -1.568139 trlgG= -2.236982 logG= -0.661343 TDE= -4.400530 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038501 tlogG= -0.627690 logG= -0.666191 Density= 3.415883 ETOT(band)= -1.572191 trlgG= -2.245643 logG= -0.666191 TDE= -4.403845 logGD-logG0= -0.038591 tlogG= -0.621001 logG= -0.659592 Density= 3.416994 ETOT(band)= -1.566514 trlgG= -2.232828 logG= -0.659592 TDE= -4.398549 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=126 logGD-logG0= -0.038649 tlogG= -0.625249 logG= -0.663898 Density= 3.416690 ETOT(band)= -1.569672 trlgG= -2.241971 logG= -0.663898 TDE= -4.403134 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038824 tlogG= -0.619937 logG= -0.658761 Density= 3.418008 ETOT(band)= -1.564622 trlgG= -2.231066 logG= -0.658761 TDE= -4.398456 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038723 tlogG= -0.620127 logG= -0.658851 Density= 3.417280 ETOT(band)= -1.565425 trlgG= -2.231978 logG= -0.658851 TDE= -4.398677 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038790 tlogG= -0.620122 logG= -0.658912 Density= 3.417905 ETOT(band)= -1.564753 trlgG= -2.230813 logG= -0.658912 TDE= -4.397967 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039042 tlogG= -0.614081 logG= -0.653123 Density= 3.419624 ETOT(band)= -1.558844 trlgG= -2.220925 logG= -0.653123 TDE= -4.395289 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039105 tlogG= -0.613496 logG= -0.652601 Density= 3.419790 ETOT(band)= -1.558133 trlgG= -2.221212 logG= -0.652601 TDE= -4.396236 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038989 tlogG= -0.615768 logG= -0.654757 Density= 3.418737 ETOT(band)= -1.560693 trlgG= -2.225401 logG= -0.654757 TDE= -4.397398 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038932 tlogG= -0.616284 logG= -0.655216 Density= 3.418625 ETOT(band)= -1.561283 trlgG= -2.225688 logG= -0.655216 TDE= -4.397134 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038774 tlogG= -0.619687 logG= -0.658461 Density= 3.417309 ETOT(band)= -1.564977 trlgG= -2.231595 logG= -0.658461 TDE= -4.398708 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038617 tlogG= -0.620756 logG= -0.659374 logGD-logG0= -0.038773 tlogG= -0.617886 logG= -0.656659 Density= 3.417675 ETOT(band)= -1.563418 trlgG= -2.228074 logG= -0.656659 TDE= -4.397290 Density= 3.416836 ETOT(band)= -1.566406 trlgG= -2.232674 logG= -0.659374 TDE= -4.398483 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038723 tlogG= -0.622699 logG= -0.661422 Density= 3.416934 ETOT(band)= -1.567502 trlgG= -2.237695 logG= -0.661422 TDE= -4.401536 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038672 tlogG= -0.620527 logG= -0.659199 Density= 3.417266 ETOT(band)= -1.565815 trlgG= -2.231978 logG= -0.659199 TDE= -4.398316 logGD-logG0= -0.038939 tlogG= -0.614245 logG= -0.653184 Density= 3.418903 ETOT(band)= -1.559569 trlgG= -2.221623 logG= -0.653184 TDE= -4.395330 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038942 tlogG= -0.617184 logG= -0.656127 Density= 3.418694 ETOT(band)= -1.561814 trlgG= -2.226918 logG= -0.656127 TDE= -4.397510 logGD-logG0= -0.039170 tlogG= -0.612895 logG= -0.652065 Density= 3.419979 ETOT(band)= -1.557389 trlgG= -2.220803 logG= -0.652065 TDE= -4.396519 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039344 tlogG= -0.609742 logG= -0.649086 Density= 3.421011 ETOT(band)= -1.554041 trlgG= -2.215829 logG= -0.649086 TDE= -4.395377 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038543 tlogG= -0.623074 logG= -0.661617 Density= 3.416491 ETOT(band)= -1.568428 trlgG= -2.236852 logG= -0.661617 TDE= -4.400131 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038847 tlogG= -0.620328 logG= -0.659175 Density= 3.418498 ETOT(band)= -1.564559 trlgG= -2.230454 logG= -0.659175 TDE= -4.397835 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038605 tlogG= -0.625695 logG= -0.664299 Density= 3.416665 ETOT(band)= -1.570124 trlgG= -2.241399 logG= -0.664299 TDE= -4.402140 logGD-logG0= -0.038700 tlogG= -0.624776 logG= -0.663476 Density= 3.416745 ETOT(band)= -1.569167 trlgG= -2.241935 logG= -0.663476 TDE= -4.403566 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038591 tlogG= -0.627134 logG= -0.665725 Density= 3.416144 ETOT(band)= -1.571464 trlgG= -2.246073 logG= -0.665725 TDE= -4.404958 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038879 tlogG= -0.616796 logG= -0.655675 Density= 3.418546 ETOT(band)= -1.561850 trlgG= -2.225537 logG= -0.655675 TDE= -4.396457 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038583 tlogG= -0.625382 logG= -0.663966 Density= 3.416213 ETOT(band)= -1.570215 trlgG= -2.242582 logG= -0.663966 TDE= -4.403283 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038955 tlogG= -0.617910 logG= -0.656866 Density= 3.419258 ETOT(band)= -1.562175 trlgG= -2.226301 logG= -0.656866 TDE= -4.396619 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038672 tlogG= -0.623156 logG= -0.661828 Density= 3.416873 ETOT(band)= -1.567989 trlgG= -2.237770 logG= -0.661828 TDE= -4.401154 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038837 tlogG= -0.619522 logG= -0.658358 Density= 3.417874 ETOT(band)= -1.564298 trlgG= -2.230887 logG= -0.658358 TDE= -4.398569 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.039232 tlogG= -0.610534 logG= -0.649765 Density= 3.420501 ETOT(band)= -1.555200 trlgG= -2.216729 logG= -0.649765 TDE= -4.395176 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039104 tlogG= -0.613042 logG= -0.652146 Density= 3.419420 ETOT(band)= -1.558009 trlgG= -2.221343 logG= -0.652146 TDE= -4.396516 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038946 tlogG= -0.617556 logG= -0.656502 Density= 3.418964 ETOT(band)= -1.562013 trlgG= -2.226783 logG= -0.656502 TDE= -4.397222 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038742 tlogG= -0.622118 logG= -0.660860 Density= 3.417342 ETOT(band)= -1.566721 trlgG= -2.235854 logG= -0.660860 TDE= -4.400594 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038822 tlogG= -0.617479 logG= -0.656301 Density= 3.417672 ETOT(band)= -1.563031 trlgG= -2.227973 logG= -0.656301 TDE= -4.397546 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038912 tlogG= -0.620524 logG= -0.659436 Density= 3.419143 ETOT(band)= -1.564324 trlgG= -2.230083 logG= -0.659436 TDE= -4.397736 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 Sum of eigenvalues= -1021.81101805145 eV TrLogG= -1458.02062389815 eV Ratio to renormalize= 0.999655067274 rho-rho_expected= 0.056588486365 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 36) Finished k-point number 37 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 4) Finished k-point number 5 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 47) Finished k-point number 48 1 with #bands= 104 18) Finished k-point number 19 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 41) Finished k-point number 42 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 2) Finished k-point number 3 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800804215117915 0.802404015626859 0.802807844030653 0.800374791778272 0.802943190744645 0.802763003206050 0.801098426330897 0.802267913830059 0.802907839801869 0.801009739817684 0.802474214823399 0.802809253469593 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038632 tlogG= -0.622376 logG= -0.661008 Density= 3.416437 ETOT(band)= -1.567667 trlgG= -2.236939 logG= -0.661008 TDE= -4.400783 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038794 tlogG= -0.620307 logG= -0.659101 Density= 3.418122 ETOT(band)= -1.564755 trlgG= -2.230774 logG= -0.659101 TDE= -4.397918 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038808 tlogG= -0.619931 logG= -0.658740 Density= 3.417955 ETOT(band)= -1.564497 trlgG= -2.230918 logG= -0.658740 TDE= -4.398285 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038916 tlogG= -0.616279 logG= -0.655195 Density= 3.418570 ETOT(band)= -1.561161 trlgG= -2.225525 logG= -0.655195 TDE= -4.396945 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039154 tlogG= -0.612890 logG= -0.652044 Density= 3.419921 ETOT(band)= -1.557268 trlgG= -2.220642 logG= -0.652044 TDE= -4.396331 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038576 tlogG= -0.620995 logG= -0.659571 Density= 3.416943 ETOT(band)= -1.566387 trlgG= -2.232690 logG= -0.659571 TDE= -4.398389 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039005 tlogG= -0.613654 logG= -0.652659 Density= 3.419105 ETOT(band)= -1.558684 trlgG= -2.221679 logG= -0.652659 TDE= -4.396078 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038671 tlogG= -0.626534 logG= -0.665205 Density= 3.416391 ETOT(band)= -1.570545 trlgG= -2.245566 logG= -0.665205 TDE= -4.405175 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038646 tlogG= -0.624876 logG= -0.663522 Density= 3.416344 ETOT(band)= -1.569478 trlgG= -2.242281 logG= -0.663522 TDE= -4.403533 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038590 tlogG= -0.625688 logG= -0.664278 Density= 3.416614 ETOT(band)= -1.569997 trlgG= -2.241255 logG= -0.664278 TDE= -4.401975 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038931 tlogG= -0.617550 logG= -0.656481 Density= 3.418910 ETOT(band)= -1.561889 trlgG= -2.226628 logG= -0.656481 TDE= -4.397044 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038864 tlogG= -0.616791 logG= -0.655654 Density= 3.418490 ETOT(band)= -1.561727 trlgG= -2.225380 logG= -0.655654 TDE= -4.396275 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038807 tlogG= -0.617474 logG= -0.656281 Density= 3.417618 ETOT(band)= -1.562907 trlgG= -2.227817 logG= -0.656281 TDE= -4.397365 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038609 tlogG= -0.623589 logG= -0.662198 Density= 3.416801 ETOT(band)= -1.568305 trlgG= -2.237560 logG= -0.662198 TDE= -4.400515 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038486 tlogG= -0.627684 logG= -0.666170 Density= 3.415832 ETOT(band)= -1.572065 trlgG= -2.245496 logG= -0.666170 TDE= -4.403678 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038636 tlogG= -0.620495 logG= -0.659131 Density= 3.416635 ETOT(band)= -1.566159 trlgG= -2.232507 logG= -0.659131 TDE= -4.398391 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038706 tlogG= -0.618259 logG= -0.656965 Density= 3.417627 ETOT(band)= -1.563652 trlgG= -2.227693 logG= -0.656965 TDE= -4.396564 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038759 tlogG= -0.622718 logG= -0.661477 Density= 3.417960 ETOT(band)= -1.566737 trlgG= -2.234825 logG= -0.661477 TDE= -4.399459 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039026 tlogG= -0.614076 logG= -0.653102 Density= 3.419567 ETOT(band)= -1.558722 trlgG= -2.220767 logG= -0.653102 TDE= -4.395104 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038657 tlogG= -0.620521 logG= -0.659178 Density= 3.417213 ETOT(band)= -1.565691 trlgG= -2.231835 logG= -0.659178 TDE= -4.398151 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038576 tlogG= -0.627128 logG= -0.665704 Density= 3.416093 ETOT(band)= -1.571338 trlgG= -2.245927 logG= -0.665704 TDE= -4.404790 logGD-logG0= -0.038775 tlogG= -0.620116 logG= -0.658891 Density= 3.417853 ETOT(band)= -1.564627 trlgG= -2.230670 logG= -0.658891 TDE= -4.397802 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038741 tlogG= -0.622437 logG= -0.661177 Density= 3.417605 ETOT(band)= -1.566703 trlgG= -2.235365 logG= -0.661177 TDE= -4.400005 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038923 tlogG= -0.614241 logG= -0.653164 Density= 3.418846 ETOT(band)= -1.559448 trlgG= -2.221466 logG= -0.653164 TDE= -4.395146 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038927 tlogG= -0.617178 logG= -0.656105 Density= 3.418640 ETOT(band)= -1.561690 trlgG= -2.226763 logG= -0.656105 TDE= -4.397331 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038634 tlogG= -0.625243 logG= -0.663877 Density= 3.416639 ETOT(band)= -1.569546 trlgG= -2.241824 logG= -0.663877 TDE= -4.402966 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039089 tlogG= -0.613491 logG= -0.652580 Density= 3.419733 ETOT(band)= -1.558012 trlgG= -2.221051 logG= -0.652580 TDE= -4.396048 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038577 tlogG= -0.622745 logG= -0.661322 Density= 3.416434 ETOT(band)= -1.568013 trlgG= -2.236837 logG= -0.661322 TDE= -4.400364 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038685 tlogG= -0.624770 logG= -0.663455 Density= 3.416694 ETOT(band)= -1.569041 trlgG= -2.241788 logG= -0.663455 TDE= -4.403398 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038568 tlogG= -0.625376 logG= -0.663945 Density= 3.416162 ETOT(band)= -1.570089 trlgG= -2.242435 logG= -0.663945 TDE= -4.403115 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038821 tlogG= -0.619516 logG= -0.658337 Density= 3.417821 ETOT(band)= -1.564174 trlgG= -2.230737 logG= -0.658337 TDE= -4.398396 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039215 tlogG= -0.610530 logG= -0.649745 Density= 3.420440 ETOT(band)= -1.555082 trlgG= -2.216571 logG= -0.649745 TDE= -4.394987 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038708 tlogG= -0.622693 logG= -0.661401 Density= 3.416882 ETOT(band)= -1.567376 trlgG= -2.237550 logG= -0.661401 TDE= -4.401369 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.039088 tlogG= -0.613038 logG= -0.652126 Density= 3.419362 ETOT(band)= -1.557889 trlgG= -2.221182 logG= -0.652126 TDE= -4.396327 logGD-logG0= -0.039102 tlogG= -0.611248 logG= -0.650349 Density= 3.419957 ETOT(band)= -1.556137 trlgG= -2.216547 logG= -0.650349 TDE= -4.393961 logGD-logG0= -0.038897 tlogG= -0.620517 logG= -0.659414 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Density= 3.419092 ETOT(band)= -1.564196 trlgG= -2.229942 logG= -0.659414 TDE= -4.397576 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038727 tlogG= -0.622112 logG= -0.660839 Density= 3.417290 ETOT(band)= -1.566595 trlgG= -2.235708 logG= -0.660839 TDE= -4.400426 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038758 tlogG= -0.617881 logG= -0.656639 Density= 3.417621 ETOT(band)= -1.563295 trlgG= -2.227919 logG= -0.656639 TDE= -4.397112 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038973 tlogG= -0.615763 logG= -0.654736 Density= 3.418681 ETOT(band)= -1.560570 trlgG= -2.225238 logG= -0.654736 TDE= -4.397210 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038602 tlogG= -0.620751 logG= -0.659353 Density= 3.416785 ETOT(band)= -1.566280 trlgG= -2.232533 logG= -0.659353 TDE= -4.398320 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039328 tlogG= -0.609738 logG= -0.649066 Density= 3.420950 ETOT(band)= -1.553923 trlgG= -2.215671 logG= -0.649066 TDE= -4.395188 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038940 tlogG= -0.617904 logG= -0.656844 Density= 3.419204 ETOT(band)= -1.562050 trlgG= -2.226147 logG= -0.656844 TDE= -4.396443 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038708 tlogG= -0.620122 logG= -0.658830 Density= 3.417228 ETOT(band)= -1.565301 trlgG= -2.231835 logG= -0.658830 TDE= -4.398511 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038759 tlogG= -0.619681 logG= -0.658440 Density= 3.417256 ETOT(band)= -1.564853 trlgG= -2.231452 logG= -0.658440 TDE= -4.398541 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038528 tlogG= -0.623067 logG= -0.661595 Density= 3.416440 ETOT(band)= -1.568301 trlgG= -2.236712 logG= -0.661595 TDE= -4.399971 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038657 tlogG= -0.623150 logG= -0.661807 Density= 3.416821 ETOT(band)= -1.567863 trlgG= -2.237624 logG= -0.661807 TDE= -4.400987 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038832 tlogG= -0.620321 logG= -0.659153 Density= 3.418446 ETOT(band)= -1.564432 trlgG= -2.230311 logG= -0.659153 TDE= -4.397672 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038492 tlogG= -0.625838 logG= -0.664330 Density= 3.415998 ETOT(band)= -1.570643 trlgG= -2.241998 logG= -0.664330 TDE= -4.402157 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 Sum of eigenvalues= -1021.72977515331 eV TrLogG= -1457.89413973265 eV Ratio to renormalize= 0.999670657739 rho-rho_expected= 0.054029925111 nargs= 1 argi=dmft2.def 14) Finished k-point number 15 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 41) Finished k-point number 42 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 27) Finished k-point number 28 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 34) Finished k-point number 35 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800797208550031 0.802380872500289 0.802854598119017 0.800366361022442 0.802921864318268 0.802809620869606 0.801091360647531 0.802245145170563 0.802953939124884 0.801002416909671 0.802452416192729 0.802855386472134 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038624 tlogG= -0.622287 logG= -0.660912 Density= 3.416416 ETOT(band)= -1.567581 trlgG= -2.236761 logG= -0.660912 TDE= -4.400684 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038733 tlogG= -0.622348 logG= -0.661081 Density= 3.417583 ETOT(band)= -1.566619 trlgG= -2.235188 logG= -0.661081 TDE= -4.399907 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038478 tlogG= -0.627594 logG= -0.666072 Density= 3.415810 ETOT(band)= -1.571980 trlgG= -2.245317 logG= -0.666072 TDE= -4.403578 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038568 tlogG= -0.620906 logG= -0.659475 Density= 3.416922 ETOT(band)= -1.566303 trlgG= -2.232515 logG= -0.659475 TDE= -4.398293 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038639 tlogG= -0.624786 logG= -0.663425 Density= 3.416323 ETOT(band)= -1.569392 trlgG= -2.242101 logG= -0.663425 TDE= -4.403434 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038582 tlogG= -0.625598 logG= -0.664180 Density= 3.416592 ETOT(band)= -1.569913 trlgG= -2.241077 logG= -0.664180 TDE= -4.401877 logGD-logG0= -0.038627 tlogG= -0.625153 logG= -0.663780 Density= 3.416618 ETOT(band)= -1.569460 trlgG= -2.241645 logG= -0.663780 TDE= -4.402867 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038649 tlogG= -0.620432 logG= -0.659082 Density= 3.417191 ETOT(band)= -1.565607 trlgG= -2.231660 logG= -0.659082 TDE= -4.398054 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038856 tlogG= -0.616703 logG= -0.655559 Density= 3.418466 ETOT(band)= -1.561645 trlgG= -2.225202 logG= -0.655559 TDE= -4.396173 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038698 tlogG= -0.618171 logG= -0.656870 Density= 3.417604 ETOT(band)= -1.563569 trlgG= -2.227517 logG= -0.656870 TDE= -4.396464 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038663 tlogG= -0.626444 logG= -0.665108 Density= 3.416371 ETOT(band)= -1.570458 trlgG= -2.245385 logG= -0.665108 TDE= -4.405075 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038786 tlogG= -0.620219 logG= -0.659005 Density= 3.418098 ETOT(band)= -1.564672 trlgG= -2.230598 logG= -0.659005 TDE= -4.397819 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039320 tlogG= -0.609652 logG= -0.648972 Density= 3.420923 ETOT(band)= -1.553843 trlgG= -2.215493 logG= -0.648972 TDE= -4.395082 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038520 tlogG= -0.622979 logG= -0.661499 Density= 3.416419 ETOT(band)= -1.568216 trlgG= -2.236536 logG= -0.661499 TDE= -4.399874 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=120 logGD-logG0= -0.038750 tlogG= -0.617793 logG= -0.656543 Density= 3.417599 ETOT(band)= -1.563211 trlgG= -2.227741 logG= -0.656543 TDE= -4.397011 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038629 tlogG= -0.620407 logG= -0.659036 Density= 3.416614 ETOT(band)= -1.566074 trlgG= -2.232331 logG= -0.659036 TDE= -4.398294 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038601 tlogG= -0.623500 logG= -0.662101 Density= 3.416779 ETOT(band)= -1.568221 trlgG= -2.237383 logG= -0.662101 TDE= -4.400417 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038569 tlogG= -0.627038 logG= -0.665607 Density= 3.416072 ETOT(band)= -1.571252 trlgG= -2.245746 logG= -0.665607 TDE= -4.404690 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038923 tlogG= -0.617462 logG= -0.656385 Density= 3.418886 ETOT(band)= -1.561806 trlgG= -2.226452 logG= -0.656385 TDE= -4.396944 logGD-logG0= -0.038814 tlogG= -0.619428 logG= -0.658241 Density= 3.417799 ETOT(band)= -1.564090 trlgG= -2.230560 logG= -0.658241 TDE= -4.398297 logGD-logG0= -0.038909 tlogG= -0.616191 logG= -0.655100 Density= 3.418545 ETOT(band)= -1.561078 trlgG= -2.225345 logG= -0.655100 TDE= -4.396840 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038889 tlogG= -0.620429 logG= -0.659318 Density= 3.419070 ETOT(band)= -1.564113 trlgG= -2.229768 logG= -0.659318 TDE= -4.397479 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.038915 tlogG= -0.614153 logG= -0.653069 Density= 3.418821 ETOT(band)= -1.559367 trlgG= -2.221290 logG= -0.653069 TDE= -4.395044 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038561 tlogG= -0.625287 logG= -0.663848 Density= 3.416141 ETOT(band)= -1.570003 trlgG= -2.242256 logG= -0.663848 TDE= -4.403016 logGD-logG0= -0.039094 tlogG= -0.611161 logG= -0.650254 Density= 3.419930 ETOT(band)= -1.556058 trlgG= -2.216370 logG= -0.650254 TDE= -4.393856 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038752 tlogG= -0.622629 logG= -0.661381 Density= 3.417938 ETOT(band)= -1.566653 trlgG= -2.234650 logG= -0.661381 TDE= -4.399362 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038569 tlogG= -0.622656 logG= -0.661226 Density= 3.416413 ETOT(band)= -1.567928 trlgG= -2.236659 logG= -0.661226 TDE= -4.400266 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038801 tlogG= -0.619843 logG= -0.658644 Density= 3.417932 ETOT(band)= -1.564414 trlgG= -2.230742 logG= -0.658644 TDE= -4.398186 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038719 tlogG= -0.622023 logG= -0.660742 Density= 3.417268 ETOT(band)= -1.566511 trlgG= -2.235531 logG= -0.660742 TDE= -4.400328 logGD-logG0= -0.038700 tlogG= -0.622604 logG= -0.661304 Density= 3.416861 ETOT(band)= -1.567291 trlgG= -2.237372 logG= -0.661304 TDE= -4.401270 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038751 tlogG= -0.619593 logG= -0.658344 Density= 3.417234 ETOT(band)= -1.564769 trlgG= -2.231277 logG= -0.658344 TDE= -4.398444 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039146 tlogG= -0.612803 logG= -0.651949 Density= 3.419896 ETOT(band)= -1.557187 trlgG= -2.220462 logG= -0.651949 TDE= -4.396225 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038965 tlogG= -0.615675 logG= -0.654641 Density= 3.418657 ETOT(band)= -1.560488 trlgG= -2.225057 logG= -0.654641 TDE= -4.397105 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038799 tlogG= -0.617386 logG= -0.656185 Density= 3.417596 ETOT(band)= -1.562824 trlgG= -2.227638 logG= -0.656185 TDE= -4.397263 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038701 tlogG= -0.620033 logG= -0.658734 Density= 3.417205 ETOT(band)= -1.565217 trlgG= -2.231660 logG= -0.658734 TDE= -4.398414 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038932 tlogG= -0.617816 logG= -0.656748 Density= 3.419180 ETOT(band)= -1.561967 trlgG= -2.225970 logG= -0.656748 TDE= -4.396342 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038677 tlogG= -0.624681 logG= -0.663358 Density= 3.416674 ETOT(band)= -1.568955 trlgG= -2.241609 logG= -0.663358 TDE= -4.403299 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038997 tlogG= -0.613566 logG= -0.652564 Density= 3.419079 ETOT(band)= -1.558603 trlgG= -2.221499 logG= -0.652564 TDE= -4.395972 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039080 tlogG= -0.612950 logG= -0.652030 Density= 3.419337 ETOT(band)= -1.557807 trlgG= -2.221002 logG= -0.652030 TDE= -4.396222 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038485 tlogG= -0.625748 logG= -0.664233 Density= 3.415976 ETOT(band)= -1.570558 trlgG= -2.241821 logG= -0.664233 TDE= -4.402059 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039018 tlogG= -0.613989 logG= -0.653007 Density= 3.419541 ETOT(band)= -1.558641 trlgG= -2.220590 logG= -0.653007 TDE= -4.395001 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038824 tlogG= -0.620233 logG= -0.659057 Density= 3.418424 ETOT(band)= -1.564349 trlgG= -2.230137 logG= -0.659057 TDE= -4.397575 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038768 tlogG= -0.620027 logG= -0.658795 Density= 3.417830 ETOT(band)= -1.564543 trlgG= -2.230498 logG= -0.658795 TDE= -4.397707 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039207 tlogG= -0.610443 logG= -0.649651 Density= 3.420412 ETOT(band)= -1.555003 trlgG= -2.216393 logG= -0.649651 TDE= -4.394881 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038650 tlogG= -0.623061 logG= -0.661710 Density= 3.416799 ETOT(band)= -1.567779 trlgG= -2.237446 logG= -0.661710 TDE= -4.400888 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039081 tlogG= -0.613404 logG= -0.652485 Density= 3.419707 ETOT(band)= -1.557931 trlgG= -2.220871 logG= -0.652485 TDE= -4.395942 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038919 tlogG= -0.617091 logG= -0.656010 Density= 3.418617 ETOT(band)= -1.561607 trlgG= -2.226585 logG= -0.656010 TDE= -4.397230 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038595 tlogG= -0.620662 logG= -0.659257 Density= 3.416764 ETOT(band)= -1.566196 trlgG= -2.232358 logG= -0.659257 TDE= -4.398223 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Sum of eigenvalues= -1021.67524068945 eV TrLogG= -1457.76595672635 eV Ratio to renormalize= 0.999677355457 rho-rho_expected= 0.052930782826 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 33) Finished k-point number 34 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 37) Finished k-point number 38 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 107 41) Finished k-point number 42 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 32) Finished k-point number 33 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800833066920774 0.802451730155989 0.802881947932189 0.800403167632476 0.802992280816091 0.802836420931301 0.801127123382566 0.802316508059854 0.802981258411106 0.801036596504553 0.802526619794624 0.802881066811752 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038633 tlogG= -0.625125 logG= -0.663758 Density= 3.416635 ETOT(band)= -1.569451 trlgG= -2.241613 logG= -0.663758 TDE= -4.402871 logGD-logG0= -0.038588 tlogG= -0.625570 logG= -0.664158 Density= 3.416609 ETOT(band)= -1.569903 trlgG= -2.241044 logG= -0.664158 TDE= -4.401880 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038645 tlogG= -0.624758 logG= -0.663403 Density= 3.416341 ETOT(band)= -1.569381 trlgG= -2.242068 logG= -0.663403 TDE= -4.403439 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038915 tlogG= -0.616162 logG= -0.655077 Density= 3.418564 ETOT(band)= -1.561067 trlgG= -2.225320 logG= -0.655077 TDE= -4.396854 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038792 tlogG= -0.620191 logG= -0.658983 Density= 3.418116 ETOT(band)= -1.564663 trlgG= -2.230567 logG= -0.658983 TDE= -4.397824 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038484 tlogG= -0.627566 logG= -0.666050 Density= 3.415827 ETOT(band)= -1.571970 trlgG= -2.245284 logG= -0.666050 TDE= -4.403582 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038895 tlogG= -0.620401 logG= -0.659296 Density= 3.419086 ETOT(band)= -1.564105 trlgG= -2.229736 logG= -0.659296 TDE= -4.397482 logGD-logG0= -0.038575 tlogG= -0.620878 logG= -0.659453 Density= 3.416940 ETOT(band)= -1.566293 trlgG= -2.232480 logG= -0.659453 TDE= -4.398295 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038635 tlogG= -0.620378 logG= -0.659013 Density= 3.416632 ETOT(band)= -1.566063 trlgG= -2.232296 logG= -0.659013 TDE= -4.398296 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038704 tlogG= -0.618143 logG= -0.656847 Density= 3.417623 ETOT(band)= -1.563558 trlgG= -2.227488 logG= -0.656847 TDE= -4.396473 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038922 tlogG= -0.614124 logG= -0.653046 Density= 3.418840 ETOT(band)= -1.559355 trlgG= -2.221263 logG= -0.653046 TDE= -4.395057 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038807 tlogG= -0.619815 logG= -0.658622 Density= 3.417950 ETOT(band)= -1.564404 trlgG= -2.230711 logG= -0.658622 TDE= -4.398193 logGD-logG0= -0.038669 tlogG= -0.626416 logG= -0.665085 Density= 3.416389 ETOT(band)= -1.570448 trlgG= -2.245352 logG= -0.665085 TDE= -4.405079 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038607 tlogG= -0.623472 logG= -0.662079 Density= 3.416796 ETOT(band)= -1.568212 trlgG= -2.237350 logG= -0.662079 TDE= -4.400420 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.039326 tlogG= -0.609622 logG= -0.648948 Density= 3.420944 ETOT(band)= -1.553830 trlgG= -2.215466 logG= -0.648948 TDE= -4.395096 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038739 tlogG= -0.622320 logG= -0.661059 Density= 3.417600 ETOT(band)= -1.566610 trlgG= -2.235156 logG= -0.661059 TDE= -4.399911 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039152 tlogG= -0.612774 logG= -0.651926 Density= 3.419916 ETOT(band)= -1.557175 trlgG= -2.220437 logG= -0.651926 TDE= -4.396239 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038706 tlogG= -0.622576 logG= -0.661282 Density= 3.416879 ETOT(band)= -1.567281 trlgG= -2.237339 logG= -0.661282 TDE= -4.401274 logGD-logG0= -0.038758 tlogG= -0.619564 logG= -0.658321 Density= 3.417253 ETOT(band)= -1.564758 trlgG= -2.231243 logG= -0.658321 TDE= -4.398448 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038929 tlogG= -0.617434 logG= -0.656363 Density= 3.418904 ETOT(band)= -1.561796 trlgG= -2.226425 logG= -0.656363 TDE= -4.396954 logGD-logG0= -0.038655 tlogG= -0.620404 logG= -0.659059 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 Density= 3.417209 ETOT(band)= -1.565597 trlgG= -2.231627 logG= -0.659059 TDE= -4.398058 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039003 tlogG= -0.613537 logG= -0.652541 Density= 3.419099 ETOT(band)= -1.558591 trlgG= -2.221474 logG= -0.652541 TDE= -4.395987 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038630 tlogG= -0.622259 logG= -0.660889 Density= 3.416435 ETOT(band)= -1.567571 trlgG= -2.236727 logG= -0.660889 TDE= -4.400688 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038925 tlogG= -0.617062 logG= -0.655987 Density= 3.418635 ETOT(band)= -1.561597 trlgG= -2.226558 logG= -0.655987 TDE= -4.397240 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038972 tlogG= -0.615646 logG= -0.654618 Density= 3.418677 ETOT(band)= -1.560476 trlgG= -2.225033 logG= -0.654618 TDE= -4.397119 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038601 tlogG= -0.620634 logG= -0.659235 Density= 3.416782 ETOT(band)= -1.566186 trlgG= -2.232323 logG= -0.659235 TDE= -4.398226 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038526 tlogG= -0.622950 logG= -0.661477 Density= 3.416437 ETOT(band)= -1.568207 trlgG= -2.236501 logG= -0.661477 TDE= -4.399876 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038757 tlogG= -0.622602 logG= -0.661359 Density= 3.417954 ETOT(band)= -1.566645 trlgG= -2.234618 logG= -0.661359 TDE= -4.399365 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038575 tlogG= -0.627010 logG= -0.665584 Density= 3.416090 ETOT(band)= -1.571242 trlgG= -2.245714 logG= -0.665584 TDE= -4.404695 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038774 tlogG= -0.619999 logG= -0.658773 Density= 3.417848 ETOT(band)= -1.564534 trlgG= -2.230465 logG= -0.658773 TDE= -4.397711 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038707 tlogG= -0.620005 logG= -0.658711 Density= 3.417224 ETOT(band)= -1.565206 trlgG= -2.231626 logG= -0.658711 TDE= -4.398418 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038820 tlogG= -0.619399 logG= -0.658219 Density= 3.417817 ETOT(band)= -1.564080 trlgG= -2.230530 logG= -0.658219 TDE= -4.398304 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039024 tlogG= -0.613960 logG= -0.652984 Density= 3.419560 ETOT(band)= -1.558630 trlgG= -2.220564 logG= -0.652984 TDE= -4.395014 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038862 tlogG= -0.616674 logG= -0.655536 Density= 3.418485 ETOT(band)= -1.561634 trlgG= -2.225176 logG= -0.655536 TDE= -4.396185 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038576 tlogG= -0.622628 logG= -0.661203 Density= 3.416431 ETOT(band)= -1.567917 trlgG= -2.236626 logG= -0.661203 TDE= -4.400270 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038756 tlogG= -0.617764 logG= -0.656520 Density= 3.417618 ETOT(band)= -1.563200 trlgG= -2.227713 logG= -0.656520 TDE= -4.397021 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038938 tlogG= -0.617788 logG= -0.656726 Density= 3.419197 ETOT(band)= -1.561958 trlgG= -2.225944 logG= -0.656726 TDE= -4.396352 logGD-logG0= -0.039100 tlogG= -0.611131 logG= -0.650231 Density= 3.419950 ETOT(band)= -1.556045 trlgG= -2.216344 logG= -0.650231 TDE= -4.393869 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038683 tlogG= -0.624652 logG= -0.663336 Density= 3.416691 ETOT(band)= -1.568945 trlgG= -2.241577 logG= -0.663336 TDE= -4.403303 logGD-logG0= -0.038830 tlogG= -0.620205 logG= -0.659035 Density= 3.418440 ETOT(band)= -1.564340 trlgG= -2.230105 logG= -0.659035 TDE= -4.397578 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039086 tlogG= -0.612921 logG= -0.652007 Density= 3.419357 ETOT(band)= -1.557795 trlgG= -2.220977 logG= -0.652007 TDE= -4.396236 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038567 tlogG= -0.625258 logG= -0.663825 Density= 3.416159 ETOT(band)= -1.569993 trlgG= -2.242224 logG= -0.663825 TDE= -4.403021 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038805 tlogG= -0.617357 logG= -0.656162 Density= 3.417615 ETOT(band)= -1.562813 trlgG= -2.227610 logG= -0.656162 TDE= -4.397274 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039087 tlogG= -0.613375 logG= -0.652462 Density= 3.419726 ETOT(band)= -1.557919 trlgG= -2.220846 logG= -0.652462 TDE= -4.395956 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038491 tlogG= -0.625720 logG= -0.664211 Density= 3.415994 ETOT(band)= -1.570548 trlgG= -2.241787 logG= -0.664211 TDE= -4.402062 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039214 tlogG= -0.610413 logG= -0.649627 Density= 3.420433 ETOT(band)= -1.554990 trlgG= -2.216366 logG= -0.649627 TDE= -4.394895 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038656 tlogG= -0.623032 logG= -0.661688 Density= 3.416817 ETOT(band)= -1.567769 trlgG= -2.237414 logG= -0.661688 TDE= -4.400892 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038725 tlogG= -0.621995 logG= -0.660720 Density= 3.417286 ETOT(band)= -1.566501 trlgG= -2.235499 logG= -0.660720 TDE= -4.400332 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 Sum of eigenvalues= -1021.66845313232 eV TrLogG= -1457.75599966677 eV Ratio to renormalize= 0.999671994409 rho-rho_expected= 0.053810567115 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 35) Finished k-point number 36 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 15) Finished k-point number 16 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 11) Finished k-point number 12 1 with #bands= 107 4) Finished k-point number 5 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800792791573032 0.802340095217637 0.802855385672576 0.800361484915036 0.802882386859491 0.802809992502388 0.801086773219870 0.802205308736109 0.802954090551111 0.800996806884734 0.802415096495897 0.802854363002208 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038746 tlogG= -0.622632 logG= -0.661379 Density= 3.417917 ETOT(band)= -1.566606 trlgG= -2.234602 logG= -0.661379 TDE= -4.399300 logGD-logG0= -0.038851 tlogG= -0.616706 logG= -0.655557 Density= 3.418444 ETOT(band)= -1.561598 trlgG= -2.225150 logG= -0.655557 TDE= -4.396105 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038622 tlogG= -0.625157 logG= -0.663778 Density= 3.416598 ETOT(band)= -1.569413 trlgG= -2.241596 logG= -0.663778 TDE= -4.402803 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038910 tlogG= -0.614157 logG= -0.653066 Density= 3.418798 ETOT(band)= -1.559321 trlgG= -2.221237 logG= -0.653066 TDE= -4.394975 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038728 tlogG= -0.622351 logG= -0.661079 Density= 3.417563 ETOT(band)= -1.566571 trlgG= -2.235139 logG= -0.661079 TDE= -4.399843 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038577 tlogG= -0.625602 logG= -0.664179 Density= 3.416572 ETOT(band)= -1.569865 trlgG= -2.241029 logG= -0.664179 TDE= -4.401814 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038564 tlogG= -0.620909 logG= -0.659473 Density= 3.416903 ETOT(band)= -1.566254 trlgG= -2.232467 logG= -0.659473 TDE= -4.398231 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038619 tlogG= -0.622291 logG= -0.660910 Density= 3.416398 ETOT(band)= -1.567532 trlgG= -2.236711 logG= -0.660910 TDE= -4.400621 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038659 tlogG= -0.626448 logG= -0.665107 Density= 3.416352 ETOT(band)= -1.570410 trlgG= -2.245336 logG= -0.665107 TDE= -4.405012 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038556 tlogG= -0.625290 logG= -0.663846 Density= 3.416122 ETOT(band)= -1.569955 trlgG= -2.242207 logG= -0.663846 TDE= -4.402953 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038624 tlogG= -0.620410 logG= -0.659034 Density= 3.416595 ETOT(band)= -1.566025 trlgG= -2.232282 logG= -0.659034 TDE= -4.398231 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038596 tlogG= -0.623503 logG= -0.662100 Density= 3.416759 ETOT(band)= -1.568173 trlgG= -2.237336 logG= -0.662100 TDE= -4.400355 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039141 tlogG= -0.612806 logG= -0.651947 Density= 3.419873 ETOT(band)= -1.557141 trlgG= -2.220407 logG= -0.651947 TDE= -4.396154 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038693 tlogG= -0.618174 logG= -0.656867 Density= 3.417584 ETOT(band)= -1.563521 trlgG= -2.227465 logG= -0.656867 TDE= -4.396398 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038473 tlogG= -0.627598 logG= -0.666071 Density= 3.415790 ETOT(band)= -1.571932 trlgG= -2.245268 logG= -0.666071 TDE= -4.403514 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038809 tlogG= -0.619431 logG= -0.658239 Density= 3.417778 ETOT(band)= -1.564043 trlgG= -2.230510 logG= -0.658239 TDE= -4.398231 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038762 tlogG= -0.620030 logG= -0.658793 Density= 3.417810 ETOT(band)= -1.564495 trlgG= -2.230450 logG= -0.658793 TDE= -4.397645 logGD-logG0= -0.038672 tlogG= -0.624684 logG= -0.663357 Density= 3.416654 ETOT(band)= -1.568907 trlgG= -2.241560 logG= -0.663357 TDE= -4.403235 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038781 tlogG= -0.620222 logG= -0.659003 Density= 3.418078 ETOT(band)= -1.564625 trlgG= -2.230549 logG= -0.659003 TDE= -4.397755 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038634 tlogG= -0.624790 logG= -0.663424 Density= 3.416305 ETOT(band)= -1.569343 trlgG= -2.242052 logG= -0.663424 TDE= -4.403371 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039314 tlogG= -0.609655 logG= -0.648969 Density= 3.420899 ETOT(band)= -1.553798 trlgG= -2.215439 logG= -0.648969 TDE= -4.395011 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038746 tlogG= -0.619596 logG= -0.658342 Density= 3.417215 ETOT(band)= -1.564721 trlgG= -2.231228 logG= -0.658342 TDE= -4.398381 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.039088 tlogG= -0.611164 logG= -0.650252 Density= 3.419905 ETOT(band)= -1.556013 trlgG= -2.216317 logG= -0.650252 TDE= -4.393785 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038645 tlogG= -0.623064 logG= -0.661709 Density= 3.416779 ETOT(band)= -1.567731 trlgG= -2.237397 logG= -0.661709 TDE= -4.400824 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038992 tlogG= -0.613570 logG= -0.652561 Density= 3.419057 ETOT(band)= -1.558557 trlgG= -2.221445 logG= -0.652561 TDE= -4.395902 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038590 tlogG= -0.620665 logG= -0.659255 Density= 3.416745 ETOT(band)= -1.566147 trlgG= -2.232309 logG= -0.659255 TDE= -4.398161 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038903 tlogG= -0.616194 logG= -0.655098 Density= 3.418524 ETOT(band)= -1.561032 trlgG= -2.225290 logG= -0.655098 TDE= -4.396769 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038914 tlogG= -0.617094 logG= -0.656008 Density= 3.418596 ETOT(band)= -1.561560 trlgG= -2.226534 logG= -0.656008 TDE= -4.397163 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038564 tlogG= -0.627042 logG= -0.665606 Density= 3.416053 ETOT(band)= -1.571204 trlgG= -2.245698 logG= -0.665606 TDE= -4.404627 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038918 tlogG= -0.617465 logG= -0.656383 Density= 3.418865 ETOT(band)= -1.561759 trlgG= -2.226401 logG= -0.656383 TDE= -4.396877 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038644 tlogG= -0.620435 logG= -0.659080 Density= 3.417171 ETOT(band)= -1.565559 trlgG= -2.231612 logG= -0.659080 TDE= -4.397991 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038960 tlogG= -0.615678 logG= -0.654639 Density= 3.418636 ETOT(band)= -1.560440 trlgG= -2.225002 logG= -0.654639 TDE= -4.397034 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039076 tlogG= -0.613407 logG= -0.652483 Density= 3.419684 ETOT(band)= -1.557885 trlgG= -2.220816 logG= -0.652483 TDE= -4.395870 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039075 tlogG= -0.612954 logG= -0.652028 Density= 3.419315 ETOT(band)= -1.557760 trlgG= -2.220948 logG= -0.652028 TDE= -4.396151 logGD-logG0= -0.038515 tlogG= -0.622982 logG= -0.661497 Density= 3.416400 ETOT(band)= -1.568168 trlgG= -2.236488 logG= -0.661497 TDE= -4.399813 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038796 tlogG= -0.619846 logG= -0.658642 Density= 3.417911 ETOT(band)= -1.564366 trlgG= -2.230692 logG= -0.658642 TDE= -4.398122 logGD-logG0= -0.038819 tlogG= -0.620236 logG= -0.659055 Density= 3.418403 ETOT(band)= -1.564301 trlgG= -2.230090 logG= -0.659055 TDE= -4.397513 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038745 tlogG= -0.617796 logG= -0.656541 Density= 3.417579 ETOT(band)= -1.563163 trlgG= -2.227689 logG= -0.656541 TDE= -4.396944 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038565 tlogG= -0.622659 logG= -0.661224 Density= 3.416394 ETOT(band)= -1.567879 trlgG= -2.236610 logG= -0.661224 TDE= -4.400202 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038714 tlogG= -0.622026 logG= -0.660740 Density= 3.417248 ETOT(band)= -1.566463 trlgG= -2.235482 logG= -0.660740 TDE= -4.400265 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038480 tlogG= -0.625752 logG= -0.664232 Density= 3.415957 ETOT(band)= -1.570510 trlgG= -2.241773 logG= -0.664232 TDE= -4.401996 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038695 tlogG= -0.622608 logG= -0.661303 Density= 3.416841 ETOT(band)= -1.567243 trlgG= -2.237323 logG= -0.661303 TDE= -4.401206 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.039202 tlogG= -0.610446 logG= -0.649648 Density= 3.420388 ETOT(band)= -1.554958 trlgG= -2.216339 logG= -0.649648 TDE= -4.394810 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038696 tlogG= -0.620036 logG= -0.658732 Density= 3.417185 ETOT(band)= -1.565169 trlgG= -2.231612 logG= -0.658732 TDE= -4.398351 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038927 tlogG= -0.617819 logG= -0.656746 Density= 3.419159 ETOT(band)= -1.561920 trlgG= -2.225919 logG= -0.656746 TDE= -4.396276 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038794 tlogG= -0.617389 logG= -0.656183 Density= 3.417576 ETOT(band)= -1.562776 trlgG= -2.227585 logG= -0.656183 TDE= -4.397195 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039013 tlogG= -0.613992 logG= -0.653005 Density= 3.419518 ETOT(band)= -1.558596 trlgG= -2.220537 logG= -0.653005 TDE= -4.394931 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038884 tlogG= -0.620432 logG= -0.659315 Density= 3.419049 ETOT(band)= -1.564065 trlgG= -2.229722 logG= -0.659315 TDE= -4.397418 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 Sum of eigenvalues= -1021.64421132125 eV TrLogG= -1457.72205070720 eV Ratio to renormalize= 0.999683329771 rho-rho_expected= 0.051950368618 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 1) Finished k-point number 2 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 17) Finished k-point number 18 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 43) Finished k-point number 44 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 29) Finished k-point number 30 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800805197419319 0.802360900466858 0.802866237947888 0.800374131359782 0.802902823850977 0.802820833713076 0.801099081782040 0.802226098615681 0.802964972996384 0.801008983476009 0.802435997642079 0.802865218516095 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038637 tlogG= -0.624787 logG= -0.663423 Density= 3.416314 ETOT(band)= -1.569361 trlgG= -2.242070 logG= -0.663423 TDE= -4.403396 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038599 tlogG= -0.623500 logG= -0.662099 Density= 3.416768 ETOT(band)= -1.568191 trlgG= -2.237353 logG= -0.662099 TDE= -4.400379 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039091 tlogG= -0.611161 logG= -0.650252 Density= 3.419916 ETOT(band)= -1.556030 trlgG= -2.216337 logG= -0.650252 TDE= -4.393814 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038559 tlogG= -0.625287 logG= -0.663846 Density= 3.416131 ETOT(band)= -1.569973 trlgG= -2.242225 logG= -0.663846 TDE= -4.402978 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038566 tlogG= -0.620906 logG= -0.659473 Density= 3.416912 ETOT(band)= -1.566272 trlgG= -2.232484 logG= -0.659473 TDE= -4.398256 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038798 tlogG= -0.619843 logG= -0.658642 Density= 3.417921 ETOT(band)= -1.564384 trlgG= -2.230710 logG= -0.658642 TDE= -4.398148 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038731 tlogG= -0.622348 logG= -0.661079 Density= 3.417572 ETOT(band)= -1.566589 trlgG= -2.235157 logG= -0.661079 TDE= -4.399869 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038661 tlogG= -0.626445 logG= -0.665106 Density= 3.416361 ETOT(band)= -1.570428 trlgG= -2.245354 logG= -0.665106 TDE= -4.405037 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038580 tlogG= -0.625599 logG= -0.664179 Density= 3.416581 ETOT(band)= -1.569883 trlgG= -2.241046 logG= -0.664179 TDE= -4.401839 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038995 tlogG= -0.613567 logG= -0.652561 Density= 3.419067 ETOT(band)= -1.558574 trlgG= -2.221465 logG= -0.652561 TDE= -4.395931 logGD-logG0= -0.038784 tlogG= -0.620219 logG= -0.659003 Density= 3.418087 ETOT(band)= -1.564643 trlgG= -2.230567 logG= -0.659003 TDE= -4.397780 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038647 tlogG= -0.620432 logG= -0.659080 Density= 3.417180 ETOT(band)= -1.565577 trlgG= -2.231629 logG= -0.659080 TDE= -4.398016 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038476 tlogG= -0.627594 logG= -0.666070 Density= 3.415800 ETOT(band)= -1.571950 trlgG= -2.245285 logG= -0.666070 TDE= -4.403540 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038749 tlogG= -0.622629 logG= -0.661379 Density= 3.417926 ETOT(band)= -1.566624 trlgG= -2.234620 logG= -0.661379 TDE= -4.399324 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038797 tlogG= -0.617386 logG= -0.656183 Density= 3.417585 ETOT(band)= -1.562794 trlgG= -2.227604 logG= -0.656183 TDE= -4.397223 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038906 tlogG= -0.616191 logG= -0.655098 Density= 3.418533 ETOT(band)= -1.561049 trlgG= -2.225310 logG= -0.655098 TDE= -4.396798 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038698 tlogG= -0.622605 logG= -0.661302 Density= 3.416851 ETOT(band)= -1.567261 trlgG= -2.237341 logG= -0.661302 TDE= -4.401232 logGD-logG0= -0.038675 tlogG= -0.624681 logG= -0.663356 Density= 3.416663 ETOT(band)= -1.568925 trlgG= -2.241578 logG= -0.663356 TDE= -4.403261 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038698 tlogG= -0.620033 logG= -0.658732 Density= 3.417195 ETOT(band)= -1.565187 trlgG= -2.231629 logG= -0.658732 TDE= -4.398376 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038853 tlogG= -0.616703 logG= -0.655556 Density= 3.418454 ETOT(band)= -1.561616 trlgG= -2.225169 logG= -0.655556 TDE= -4.396132 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039016 tlogG= -0.613989 logG= -0.653005 Density= 3.419528 ETOT(band)= -1.558613 trlgG= -2.220557 logG= -0.653005 TDE= -4.394960 logGD-logG0= -0.039205 tlogG= -0.610443 logG= -0.649648 Density= 3.420399 ETOT(band)= -1.554975 trlgG= -2.216359 logG= -0.649648 TDE= -4.394839 logGD-logG0= -0.038913 tlogG= -0.614154 logG= -0.653066 Density= 3.418808 ETOT(band)= -1.559338 trlgG= -2.221257 logG= -0.653066 TDE= -4.395003 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038696 tlogG= -0.618171 logG= -0.656867 Density= 3.417593 ETOT(band)= -1.563539 trlgG= -2.227484 logG= -0.656867 TDE= -4.396425 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038622 tlogG= -0.622288 logG= -0.660910 Density= 3.416407 ETOT(band)= -1.567550 trlgG= -2.236729 logG= -0.660910 TDE= -4.400646 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038518 tlogG= -0.622979 logG= -0.661497 Density= 3.416409 ETOT(band)= -1.568186 trlgG= -2.236505 logG= -0.661497 TDE= -4.399837 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=120 logGD-logG0= -0.038811 tlogG= -0.619428 logG= -0.658239 Density= 3.417788 ETOT(band)= -1.564060 trlgG= -2.230528 logG= -0.658239 TDE= -4.398258 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038627 tlogG= -0.620407 logG= -0.659034 Density= 3.416604 ETOT(band)= -1.566043 trlgG= -2.232299 logG= -0.659034 TDE= -4.398256 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038717 tlogG= -0.622023 logG= -0.660740 Density= 3.417257 ETOT(band)= -1.566481 trlgG= -2.235500 logG= -0.660740 TDE= -4.400290 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038483 tlogG= -0.625749 logG= -0.664231 Density= 3.415966 ETOT(band)= -1.570528 trlgG= -2.241790 logG= -0.664231 TDE= -4.402021 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038748 tlogG= -0.617793 logG= -0.656541 Density= 3.417588 ETOT(band)= -1.563181 trlgG= -2.227708 logG= -0.656541 TDE= -4.396971 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039144 tlogG= -0.612803 logG= -0.651947 Density= 3.419883 ETOT(band)= -1.557158 trlgG= -2.220428 logG= -0.651947 TDE= -4.396183 logGD-logG0= -0.038749 tlogG= -0.619593 logG= -0.658342 Density= 3.417224 ETOT(band)= -1.564738 trlgG= -2.231246 logG= -0.658342 TDE= -4.398406 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038929 tlogG= -0.617816 logG= -0.656746 Density= 3.419168 ETOT(band)= -1.561938 trlgG= -2.225938 logG= -0.656746 TDE= -4.396302 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039317 tlogG= -0.609652 logG= -0.648969 Density= 3.420910 ETOT(band)= -1.553815 trlgG= -2.215459 logG= -0.648969 TDE= -4.395040 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038917 tlogG= -0.617091 logG= -0.656008 Density= 3.418605 ETOT(band)= -1.561578 trlgG= -2.226553 logG= -0.656008 TDE= -4.397190 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038567 tlogG= -0.622656 logG= -0.661224 Density= 3.416403 ETOT(band)= -1.567897 trlgG= -2.236628 logG= -0.661224 TDE= -4.400228 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038963 tlogG= -0.615675 logG= -0.654638 Density= 3.418646 ETOT(band)= -1.560458 trlgG= -2.225023 logG= -0.654638 TDE= -4.397063 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038765 tlogG= -0.620027 logG= -0.658793 Density= 3.417819 ETOT(band)= -1.564513 trlgG= -2.230468 logG= -0.658793 TDE= -4.397670 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038566 tlogG= -0.627039 logG= -0.665605 Density= 3.416062 ETOT(band)= -1.571222 trlgG= -2.245715 logG= -0.665605 TDE= -4.404653 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038624 tlogG= -0.625154 logG= -0.663778 Density= 3.416607 ETOT(band)= -1.569431 trlgG= -2.241614 logG= -0.663778 TDE= -4.402829 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038593 tlogG= -0.620662 logG= -0.659255 Density= 3.416754 ETOT(band)= -1.566165 trlgG= -2.232326 logG= -0.659255 TDE= -4.398186 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039078 tlogG= -0.612951 logG= -0.652028 Density= 3.419325 ETOT(band)= -1.557778 trlgG= -2.220968 logG= -0.652028 TDE= -4.396180 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038647 tlogG= -0.623061 logG= -0.661708 Density= 3.416789 ETOT(band)= -1.567749 trlgG= -2.237415 logG= -0.661708 TDE= -4.400850 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039079 tlogG= -0.613404 logG= -0.652483 Density= 3.419694 ETOT(band)= -1.557903 trlgG= -2.220837 logG= -0.652483 TDE= -4.395899 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038921 tlogG= -0.617462 logG= -0.656383 Density= 3.418874 ETOT(band)= -1.561777 trlgG= -2.226420 logG= -0.656383 TDE= -4.396904 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038886 tlogG= -0.620429 logG= -0.659315 Density= 3.419058 ETOT(band)= -1.564084 trlgG= -2.229739 logG= -0.659315 TDE= -4.397442 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038822 tlogG= -0.620233 logG= -0.659055 Density= 3.418412 ETOT(band)= -1.564320 trlgG= -2.230108 logG= -0.659055 TDE= -4.397538 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1021.65592070337 eV TrLogG= -1457.73912607243 eV Ratio to renormalize= 0.999680607499 rho-rho_expected= 0.052397105327 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 12) Finished k-point number 13 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 44) Finished k-point number 45 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800812686932410 0.802380676849004 0.802867872922457 0.800381968858791 0.802922264860203 0.802822375938800 0.801106689308473 0.802245451654098 0.802966992503110 0.801016293010511 0.802455837696917 0.802866869198048 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038663 tlogG= -0.626438 logG= -0.665100 Density= 3.416365 ETOT(band)= -1.570423 trlgG= -2.245343 logG= -0.665100 TDE= -4.405035 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038477 tlogG= -0.627588 logG= -0.666065 Density= 3.415803 ETOT(band)= -1.571945 trlgG= -2.245274 logG= -0.666065 TDE= -4.403537 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038649 tlogG= -0.623054 logG= -0.661703 Density= 3.416792 ETOT(band)= -1.567743 trlgG= -2.237404 logG= -0.661703 TDE= -4.400847 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038699 tlogG= -0.622598 logG= -0.661297 Density= 3.416854 ETOT(band)= -1.567256 trlgG= -2.237329 logG= -0.661297 TDE= -4.401229 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038638 tlogG= -0.624780 logG= -0.663418 Density= 3.416317 ETOT(band)= -1.569356 trlgG= -2.242059 logG= -0.663418 TDE= -4.403394 logGD-logG0= -0.038914 tlogG= -0.614146 logG= -0.653061 Density= 3.418812 ETOT(band)= -1.559333 trlgG= -2.221247 logG= -0.653061 TDE= -4.395003 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038648 tlogG= -0.620426 logG= -0.659074 Density= 3.417184 ETOT(band)= -1.565572 trlgG= -2.231618 logG= -0.659074 TDE= -4.398014 logGD-logG0= -0.038931 tlogG= -0.617810 logG= -0.656740 Density= 3.419172 ETOT(band)= -1.561933 trlgG= -2.225928 logG= -0.656740 TDE= -4.396301 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038750 tlogG= -0.622623 logG= -0.661373 Density= 3.417930 ETOT(band)= -1.566619 trlgG= -2.234609 logG= -0.661373 TDE= -4.399322 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039092 tlogG= -0.611154 logG= -0.650246 Density= 3.419920 ETOT(band)= -1.556024 trlgG= -2.216327 logG= -0.650246 TDE= -4.393813 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038964 tlogG= -0.615668 logG= -0.654633 Density= 3.418650 ETOT(band)= -1.560453 trlgG= -2.225014 logG= -0.654633 TDE= -4.397063 logGD-logG0= -0.038600 tlogG= -0.623494 logG= -0.662094 Density= 3.416772 ETOT(band)= -1.568186 trlgG= -2.237342 logG= -0.662094 TDE= -4.400377 logGD-logG0= -0.038800 tlogG= -0.619836 logG= -0.658636 Density= 3.417924 ETOT(band)= -1.564379 trlgG= -2.230700 logG= -0.658636 TDE= -4.398146 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038628 tlogG= -0.620400 logG= -0.659028 Density= 3.416608 ETOT(band)= -1.566038 trlgG= -2.232288 logG= -0.659028 TDE= -4.398253 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038623 tlogG= -0.622281 logG= -0.660904 Density= 3.416410 ETOT(band)= -1.567545 trlgG= -2.236718 logG= -0.660904 TDE= -4.400644 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038560 tlogG= -0.625280 logG= -0.663840 Density= 3.416135 ETOT(band)= -1.569968 trlgG= -2.242214 logG= -0.663840 TDE= -4.402976 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038996 tlogG= -0.613559 logG= -0.652556 Density= 3.419071 ETOT(band)= -1.558569 trlgG= -2.221456 logG= -0.652556 TDE= -4.395930 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038568 tlogG= -0.627032 logG= -0.665599 Density= 3.416066 ETOT(band)= -1.571217 trlgG= -2.245704 logG= -0.665599 TDE= -4.404650 logGD-logG0= -0.038785 tlogG= -0.620212 logG= -0.658997 Density= 3.418090 ETOT(band)= -1.564638 trlgG= -2.230556 logG= -0.658997 TDE= -4.397778 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038626 tlogG= -0.625147 logG= -0.663772 Density= 3.416611 ETOT(band)= -1.569426 trlgG= -2.241603 logG= -0.663772 TDE= -4.402826 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038732 tlogG= -0.622341 logG= -0.661073 Density= 3.417576 ETOT(band)= -1.566584 trlgG= -2.235146 logG= -0.661073 TDE= -4.399866 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038568 tlogG= -0.620900 logG= -0.659467 Density= 3.416915 ETOT(band)= -1.566267 trlgG= -2.232473 logG= -0.659467 TDE= -4.398253 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038581 tlogG= -0.625592 logG= -0.664173 Density= 3.416585 ETOT(band)= -1.569878 trlgG= -2.241035 logG= -0.664173 TDE= -4.401836 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038888 tlogG= -0.620422 logG= -0.659310 Density= 3.419061 ETOT(band)= -1.564079 trlgG= -2.229728 logG= -0.659310 TDE= -4.397440 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=121 logGD-logG0= -0.038855 tlogG= -0.616696 logG= -0.655551 Density= 3.418458 ETOT(band)= -1.561610 trlgG= -2.225160 logG= -0.655551 TDE= -4.396132 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039017 tlogG= -0.613982 logG= -0.652999 Density= 3.419532 ETOT(band)= -1.558608 trlgG= -2.220547 logG= -0.652999 TDE= -4.394959 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038907 tlogG= -0.616184 logG= -0.655092 Density= 3.418538 ETOT(band)= -1.561044 trlgG= -2.225301 logG= -0.655092 TDE= -4.396798 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039145 tlogG= -0.612796 logG= -0.651941 Density= 3.419888 ETOT(band)= -1.557153 trlgG= -2.220418 logG= -0.651941 TDE= -4.396183 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038918 tlogG= -0.617084 logG= -0.656002 Density= 3.418609 ETOT(band)= -1.561572 trlgG= -2.226543 logG= -0.656002 TDE= -4.397189 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038823 tlogG= -0.620226 logG= -0.659049 Density= 3.418416 ETOT(band)= -1.564315 trlgG= -2.230096 logG= -0.659049 TDE= -4.397535 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039080 tlogG= -0.613397 logG= -0.652477 Density= 3.419698 ETOT(band)= -1.557897 trlgG= -2.220828 logG= -0.652477 TDE= -4.395899 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038697 tlogG= -0.618165 logG= -0.656862 Density= 3.417597 ETOT(band)= -1.563533 trlgG= -2.227474 logG= -0.656862 TDE= -4.396423 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038767 tlogG= -0.620021 logG= -0.658787 Density= 3.417823 ETOT(band)= -1.564508 trlgG= -2.230457 logG= -0.658787 TDE= -4.397667 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038519 tlogG= -0.622972 logG= -0.661491 Density= 3.416413 ETOT(band)= -1.568181 trlgG= -2.236494 logG= -0.661491 TDE= -4.399834 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038798 tlogG= -0.617379 logG= -0.656177 Density= 3.417589 ETOT(band)= -1.562788 trlgG= -2.227594 logG= -0.656177 TDE= -4.397222 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039319 tlogG= -0.609645 logG= -0.648963 Density= 3.420914 ETOT(band)= -1.553809 trlgG= -2.215449 logG= -0.648963 TDE= -4.395040 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038484 tlogG= -0.625742 logG= -0.664226 Density= 3.415970 ETOT(band)= -1.570523 trlgG= -2.241779 logG= -0.664226 TDE= -4.402018 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038718 tlogG= -0.622017 logG= -0.660735 Density= 3.417261 ETOT(band)= -1.566476 trlgG= -2.235489 logG= -0.660735 TDE= -4.400288 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038700 tlogG= -0.620026 logG= -0.658726 Density= 3.417198 ETOT(band)= -1.565182 trlgG= -2.231618 logG= -0.658726 TDE= -4.398373 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038676 tlogG= -0.624674 logG= -0.663351 Density= 3.416667 ETOT(band)= -1.568920 trlgG= -2.241567 logG= -0.663351 TDE= -4.403259 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039206 tlogG= -0.610436 logG= -0.649642 Density= 3.420404 ETOT(band)= -1.554969 trlgG= -2.216350 logG= -0.649642 TDE= -4.394839 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038569 tlogG= -0.622649 logG= -0.661218 Density= 3.416407 ETOT(band)= -1.567892 trlgG= -2.236616 logG= -0.661218 TDE= -4.400225 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038751 tlogG= -0.619586 logG= -0.658336 Density= 3.417228 ETOT(band)= -1.564733 trlgG= -2.231234 logG= -0.658336 TDE= -4.398404 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038749 tlogG= -0.617786 logG= -0.656535 Density= 3.417592 ETOT(band)= -1.563176 trlgG= -2.227698 logG= -0.656535 TDE= -4.396970 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038813 tlogG= -0.619421 logG= -0.658234 Density= 3.417791 ETOT(band)= -1.564055 trlgG= -2.230518 logG= -0.658234 TDE= -4.398256 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038922 tlogG= -0.617456 logG= -0.656377 Density= 3.418878 ETOT(band)= -1.561772 trlgG= -2.226410 logG= -0.656377 TDE= -4.396903 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038594 tlogG= -0.620655 logG= -0.659249 Density= 3.416758 ETOT(band)= -1.566160 trlgG= -2.232315 logG= -0.659249 TDE= -4.398183 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039079 tlogG= -0.612943 logG= -0.652022 Density= 3.419329 ETOT(band)= -1.557772 trlgG= -2.220959 logG= -0.652022 TDE= -4.396180 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 Sum of eigenvalues= -1021.65249344296 eV TrLogG= -1457.73427045438 eV Ratio to renormalize= 0.999679494433 rho-rho_expected= 0.052579765070 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 19) Finished k-point number 20 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 33) Finished k-point number 34 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 47) Finished k-point number 48 1 with #bands= 104 22) Finished k-point number 23 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800816774048021 0.802382286323616 0.802872451315525 0.800386099643067 0.802923870730377 0.802826897566876 0.801110757897862 0.802247055389228 0.802971553499990 0.801020329478830 0.802457554431921 0.802871370421029 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039555 tlogG= -0.620198 logG= -0.659753 Density= 3.418359 ETOT(band)= -1.564384 trlgG= -2.231085 logG= -0.659753 TDE= -4.397773 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039338 tlogG= -0.620886 logG= -0.660224 Density= 3.417199 ETOT(band)= -1.566001 trlgG= -2.232990 logG= -0.660224 TDE= -4.398248 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.039500 tlogG= -0.622327 logG= -0.661827 Density= 3.417844 ETOT(band)= -1.566328 trlgG= -2.235673 logG= -0.661827 TDE= -4.399862 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039390 tlogG= -0.622267 logG= -0.661656 Density= 3.416699 ETOT(band)= -1.567266 trlgG= -2.237227 logG= -0.661656 TDE= -4.400639 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039347 tlogG= -0.625578 logG= -0.664926 Density= 3.416848 ETOT(band)= -1.569625 trlgG= -2.241565 logG= -0.664926 TDE= -4.401831 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039469 tlogG= -0.618150 logG= -0.657619 Density= 3.417886 ETOT(band)= -1.563264 trlgG= -2.227988 logG= -0.657619 TDE= -4.396419 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039569 tlogG= -0.619822 logG= -0.659391 Density= 3.418203 ETOT(band)= -1.564115 trlgG= -2.231220 logG= -0.659391 TDE= -4.398141 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039242 tlogG= -0.627574 logG= -0.666817 Density= 3.416072 ETOT(band)= -1.571686 trlgG= -2.245799 logG= -0.666817 TDE= -4.403533 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039518 tlogG= -0.622608 logG= -0.662127 Density= 3.418183 ETOT(band)= -1.566377 trlgG= -2.235148 logG= -0.662127 TDE= -4.399317 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039396 tlogG= -0.620386 logG= -0.659782 Density= 3.416907 ETOT(band)= -1.565754 trlgG= -2.232791 logG= -0.659782 TDE= -4.398249 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039853 tlogG= -0.613381 logG= -0.653235 Density= 3.419982 ETOT(band)= -1.557629 trlgG= -2.221346 logG= -0.653235 TDE= -4.395895 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039792 tlogG= -0.613966 logG= -0.653758 Density= 3.419814 ETOT(band)= -1.558344 trlgG= -2.221068 logG= -0.653758 TDE= -4.394955 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039368 tlogG= -0.623480 logG= -0.662848 Density= 3.417044 ETOT(band)= -1.567927 trlgG= -2.237866 logG= -0.662848 TDE= -4.400372 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039331 tlogG= -0.627018 logG= -0.666349 Density= 3.416333 ETOT(band)= -1.570954 trlgG= -2.246229 logG= -0.666349 TDE= -4.404646 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039401 tlogG= -0.624767 logG= -0.664168 Density= 3.416592 ETOT(band)= -1.569085 trlgG= -2.242577 logG= -0.664168 TDE= -4.403389 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039769 tlogG= -0.613544 logG= -0.653313 Density= 3.419364 ETOT(band)= -1.558293 trlgG= -2.221968 logG= -0.653313 TDE= -4.395926 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039627 tlogG= -0.616681 logG= -0.656308 Density= 3.418743 ETOT(band)= -1.561344 trlgG= -2.225677 logG= -0.656308 TDE= -4.396127 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039424 tlogG= -0.626425 logG= -0.665849 Density= 3.416630 ETOT(band)= -1.570157 trlgG= -2.245867 logG= -0.665849 TDE= -4.405030 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039419 tlogG= -0.620411 logG= -0.659830 Density= 3.417467 ETOT(band)= -1.565306 trlgG= -2.232136 logG= -0.659830 TDE= -4.398009 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039981 tlogG= -0.610420 logG= -0.650401 Density= 3.420689 ETOT(band)= -1.554699 trlgG= -2.216869 logG= -0.650401 TDE= -4.394835 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039679 tlogG= -0.616170 logG= -0.655848 Density= 3.418827 ETOT(band)= -1.560771 trlgG= -2.225814 logG= -0.655848 TDE= -4.396794 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039288 tlogG= -0.622958 logG= -0.662246 Density= 3.416692 ETOT(band)= -1.567916 trlgG= -2.237013 logG= -0.662246 TDE= -4.399829 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039465 tlogG= -0.622584 logG= -0.662048 Density= 3.417136 ETOT(band)= -1.566982 trlgG= -2.237844 logG= -0.662048 TDE= -4.401225 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.039689 tlogG= -0.614131 logG= -0.653820 Density= 3.419105 ETOT(band)= -1.559060 trlgG= -2.221760 logG= -0.653820 TDE= -4.394998 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039520 tlogG= -0.617772 logG= -0.657292 Density= 3.417886 ETOT(band)= -1.562899 trlgG= -2.228207 logG= -0.657292 TDE= -4.396966 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039568 tlogG= -0.617365 logG= -0.656932 Density= 3.417889 ETOT(band)= -1.562503 trlgG= -2.228097 logG= -0.656932 TDE= -4.397218 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039325 tlogG= -0.625267 logG= -0.664592 Density= 3.416409 ETOT(band)= -1.569701 trlgG= -2.242734 logG= -0.664592 TDE= -4.402971 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039870 tlogG= -0.611137 logG= -0.651007 Density= 3.420212 ETOT(band)= -1.555753 trlgG= -2.216843 logG= -0.651007 TDE= -4.393809 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039735 tlogG= -0.615653 logG= -0.655388 Density= 3.418942 ETOT(band)= -1.560174 trlgG= -2.225523 logG= -0.655388 TDE= -4.397058 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039593 tlogG= -0.620211 logG= -0.659804 Density= 3.418682 ETOT(band)= -1.564062 trlgG= -2.230626 logG= -0.659804 TDE= -4.397530 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.040092 tlogG= -0.609629 logG= -0.649720 Density= 3.421188 ETOT(band)= -1.553544 trlgG= -2.215976 logG= -0.649720 TDE= -4.395036 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039581 tlogG= -0.619406 logG= -0.658987 Density= 3.418079 ETOT(band)= -1.563780 trlgG= -2.231030 logG= -0.658987 TDE= -4.398252 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039518 tlogG= -0.619572 logG= -0.659090 Density= 3.417521 ETOT(band)= -1.564452 trlgG= -2.231741 logG= -0.659090 TDE= -4.398399 logGD-logG0= -0.039391 tlogG= -0.625133 logG= -0.664524 Density= 3.416879 ETOT(band)= -1.569165 trlgG= -2.242128 logG= -0.664524 TDE= -4.402822 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039689 tlogG= -0.617069 logG= -0.656758 Density= 3.418897 ETOT(band)= -1.561300 trlgG= -2.227056 logG= -0.656758 TDE= -4.397184 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039336 tlogG= -0.622636 logG= -0.661972 Density= 3.416691 ETOT(band)= -1.567620 trlgG= -2.237131 logG= -0.661972 TDE= -4.400221 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039363 tlogG= -0.620642 logG= -0.660005 Density= 3.417049 ETOT(band)= -1.565885 trlgG= -2.232825 logG= -0.660005 TDE= -4.398178 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039693 tlogG= -0.617440 logG= -0.657133 Density= 3.419154 ETOT(band)= -1.561511 trlgG= -2.226933 logG= -0.657133 TDE= -4.396898 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039536 tlogG= -0.620006 logG= -0.659542 Density= 3.418110 ETOT(band)= -1.564239 trlgG= -2.230970 logG= -0.659542 TDE= -4.397663 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039657 tlogG= -0.620408 logG= -0.660065 Density= 3.419306 ETOT(band)= -1.563845 trlgG= -2.230275 logG= -0.660065 TDE= -4.397435 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039702 tlogG= -0.617795 logG= -0.657497 Density= 3.419435 ETOT(band)= -1.561686 trlgG= -2.226463 logG= -0.657497 TDE= -4.396296 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039469 tlogG= -0.620012 logG= -0.659481 Density= 3.417487 ETOT(band)= -1.564908 trlgG= -2.232130 logG= -0.659481 TDE= -4.398369 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039250 tlogG= -0.625728 logG= -0.664979 Density= 3.416243 ETOT(band)= -1.570261 trlgG= -2.242301 logG= -0.664979 TDE= -4.402014 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039485 tlogG= -0.622002 logG= -0.661488 Density= 3.417542 ETOT(band)= -1.566207 trlgG= -2.236005 logG= -0.661488 TDE= -4.400283 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039917 tlogG= -0.612781 logG= -0.652697 Density= 3.420171 ETOT(band)= -1.556882 trlgG= -2.220936 logG= -0.652697 TDE= -4.396178 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039440 tlogG= -0.624661 logG= -0.664101 Density= 3.416938 ETOT(band)= -1.568653 trlgG= -2.242088 logG= -0.664101 TDE= -4.403254 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039850 tlogG= -0.612928 logG= -0.652779 Density= 3.419621 ETOT(band)= -1.557493 trlgG= -2.221470 logG= -0.652779 TDE= -4.396176 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039415 tlogG= -0.623040 logG= -0.662455 Density= 3.417070 ETOT(band)= -1.567476 trlgG= -2.237923 logG= -0.662455 TDE= -4.400842 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1021.47813346290 eV TrLogG= -1458.22425424553 eV Ratio to renormalize= 0.999597606356 rho-rho_expected= 0.066019123323 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 34) Finished k-point number 35 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 23) Finished k-point number 24 1 with #bands= 107 37) Finished k-point number 38 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800812954150122 0.802376659029210 0.802868168856695 0.800382266436463 0.802918304745071 0.802822586356126 0.801106961294305 0.802241397525879 0.802967283641806 0.801016559532624 0.802451859826272 0.802867131463496 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039468 tlogG= -0.618154 logG= -0.657622 Density= 3.417884 ETOT(band)= -1.563264 trlgG= -2.227991 logG= -0.657622 TDE= -4.396417 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039347 tlogG= -0.625582 logG= -0.664928 Density= 3.416846 ETOT(band)= -1.569625 trlgG= -2.241568 logG= -0.664928 TDE= -4.401830 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039423 tlogG= -0.626428 logG= -0.665851 Density= 3.416628 ETOT(band)= -1.570158 trlgG= -2.245870 logG= -0.665851 TDE= -4.405028 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039250 tlogG= -0.625732 logG= -0.664981 Density= 3.416241 ETOT(band)= -1.570261 trlgG= -2.242304 logG= -0.664981 TDE= -4.402012 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039554 tlogG= -0.620201 logG= -0.659755 Density= 3.418357 ETOT(band)= -1.564384 trlgG= -2.231088 logG= -0.659755 TDE= -4.397772 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039678 tlogG= -0.616173 logG= -0.655851 Density= 3.418824 ETOT(band)= -1.560771 trlgG= -2.225816 logG= -0.655851 TDE= -4.396791 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039389 tlogG= -0.622270 logG= -0.661659 Density= 3.416697 ETOT(band)= -1.567267 trlgG= -2.237230 logG= -0.661659 TDE= -4.400638 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039400 tlogG= -0.624770 logG= -0.664170 Density= 3.416590 ETOT(band)= -1.569085 trlgG= -2.242580 logG= -0.664170 TDE= -4.403388 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039499 tlogG= -0.622330 logG= -0.661829 Density= 3.417841 ETOT(band)= -1.566328 trlgG= -2.235676 logG= -0.661829 TDE= -4.399860 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039396 tlogG= -0.620389 logG= -0.659785 Density= 3.416905 ETOT(band)= -1.565754 trlgG= -2.232793 logG= -0.659785 TDE= -4.398247 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039464 tlogG= -0.622587 logG= -0.662051 Density= 3.417134 ETOT(band)= -1.566982 trlgG= -2.237846 logG= -0.662051 TDE= -4.401223 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.039242 tlogG= -0.627578 logG= -0.666819 Density= 3.416070 ETOT(band)= -1.571686 trlgG= -2.245802 logG= -0.666819 TDE= -4.403531 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039368 tlogG= -0.623483 logG= -0.662851 Density= 3.417042 ETOT(band)= -1.567927 trlgG= -2.237869 logG= -0.662851 TDE= -4.400371 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039734 tlogG= -0.615657 logG= -0.655391 Density= 3.418940 ETOT(band)= -1.560174 trlgG= -2.225525 logG= -0.655391 TDE= -4.397056 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039324 tlogG= -0.625270 logG= -0.664594 Density= 3.416407 ETOT(band)= -1.569702 trlgG= -2.242737 logG= -0.664594 TDE= -4.402970 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039688 tlogG= -0.617072 logG= -0.656760 Density= 3.418895 ETOT(band)= -1.561300 trlgG= -2.227058 logG= -0.656760 TDE= -4.397182 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039592 tlogG= -0.620215 logG= -0.659807 Density= 3.418680 ETOT(band)= -1.564062 trlgG= -2.230629 logG= -0.659807 TDE= -4.397529 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039768 tlogG= -0.613548 logG= -0.653316 Density= 3.419362 ETOT(band)= -1.558293 trlgG= -2.221970 logG= -0.653316 TDE= -4.395924 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039692 tlogG= -0.617444 logG= -0.657136 Density= 3.419152 ETOT(band)= -1.561511 trlgG= -2.226935 logG= -0.657136 TDE= -4.396896 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039568 tlogG= -0.619825 logG= -0.659393 Density= 3.418201 ETOT(band)= -1.564115 trlgG= -2.231222 logG= -0.659393 TDE= -4.398139 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039518 tlogG= -0.622612 logG= -0.662130 Density= 3.418181 ETOT(band)= -1.566377 trlgG= -2.235151 logG= -0.662130 TDE= -4.399316 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039791 tlogG= -0.613970 logG= -0.653761 Density= 3.419812 ETOT(band)= -1.558344 trlgG= -2.221070 logG= -0.653761 TDE= -4.394953 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039415 tlogG= -0.623043 logG= -0.662458 Density= 3.417068 ETOT(band)= -1.567477 trlgG= -2.237925 logG= -0.662458 TDE= -4.400841 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.040091 tlogG= -0.609632 logG= -0.649723 Density= 3.421186 ETOT(band)= -1.553545 trlgG= -2.215978 logG= -0.649723 TDE= -4.395033 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039627 tlogG= -0.616684 logG= -0.656311 Density= 3.418741 ETOT(band)= -1.561344 trlgG= -2.225679 logG= -0.656311 TDE= -4.396125 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039418 tlogG= -0.620415 logG= -0.659833 Density= 3.417465 ETOT(band)= -1.565306 trlgG= -2.232138 logG= -0.659833 TDE= -4.398008 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039518 tlogG= -0.619575 logG= -0.659093 Density= 3.417519 ETOT(band)= -1.564452 trlgG= -2.231744 logG= -0.659093 TDE= -4.398398 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039688 tlogG= -0.614134 logG= -0.653823 Density= 3.419103 ETOT(band)= -1.559060 trlgG= -2.221762 logG= -0.653823 TDE= -4.394996 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039287 tlogG= -0.622962 logG= -0.662249 Density= 3.416690 ETOT(band)= -1.567916 trlgG= -2.237016 logG= -0.662249 TDE= -4.399828 logGD-logG0= -0.039850 tlogG= -0.612932 logG= -0.652781 Density= 3.419619 ETOT(band)= -1.557493 trlgG= -2.221472 logG= -0.652781 TDE= -4.396173 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039363 tlogG= -0.620645 logG= -0.660008 Density= 3.417047 ETOT(band)= -1.565885 trlgG= -2.232828 logG= -0.660008 TDE= -4.398177 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039702 tlogG= -0.617798 logG= -0.657499 Density= 3.419433 ETOT(band)= -1.561686 trlgG= -2.226465 logG= -0.657499 TDE= -4.396295 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039580 tlogG= -0.619410 logG= -0.658990 Density= 3.418077 ETOT(band)= -1.563781 trlgG= -2.231032 logG= -0.658990 TDE= -4.398250 logGD-logG0= -0.039390 tlogG= -0.625136 logG= -0.664526 Density= 3.416877 ETOT(band)= -1.569165 trlgG= -2.242131 logG= -0.664526 TDE= -4.402820 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039869 tlogG= -0.611141 logG= -0.651010 Density= 3.420210 ETOT(band)= -1.555753 trlgG= -2.216845 logG= -0.651010 TDE= -4.393807 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039439 tlogG= -0.624664 logG= -0.664103 Density= 3.416936 ETOT(band)= -1.568653 trlgG= -2.242091 logG= -0.664103 TDE= -4.403252 logGD-logG0= -0.039916 tlogG= -0.612784 logG= -0.652700 Density= 3.420169 ETOT(band)= -1.556882 trlgG= -2.220938 logG= -0.652700 TDE= -4.396176 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039980 tlogG= -0.610424 logG= -0.650404 Density= 3.420686 ETOT(band)= -1.554700 trlgG= -2.216871 logG= -0.650404 TDE= -4.394832 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039337 tlogG= -0.620889 logG= -0.660226 Density= 3.417197 ETOT(band)= -1.566001 trlgG= -2.232993 logG= -0.660226 TDE= -4.398247 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039468 tlogG= -0.620016 logG= -0.659483 Density= 3.417484 ETOT(band)= -1.564908 trlgG= -2.232133 logG= -0.659483 TDE= -4.398367 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039330 tlogG= -0.627022 logG= -0.666352 Density= 3.416331 ETOT(band)= -1.570954 trlgG= -2.246232 logG= -0.666352 TDE= -4.404644 logGD-logG0= -0.039335 tlogG= -0.622639 logG= -0.661974 Density= 3.416689 ETOT(band)= -1.567620 trlgG= -2.237133 logG= -0.661974 TDE= -4.400219 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039656 tlogG= -0.620411 logG= -0.660067 Density= 3.419305 ETOT(band)= -1.563845 trlgG= -2.230278 logG= -0.660067 TDE= -4.397434 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039485 tlogG= -0.622006 logG= -0.661490 Density= 3.417540 ETOT(band)= -1.566207 trlgG= -2.236008 logG= -0.661490 TDE= -4.400282 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039567 tlogG= -0.617368 logG= -0.656935 Density= 3.417887 ETOT(band)= -1.562503 trlgG= -2.228099 logG= -0.656935 TDE= -4.397215 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039519 tlogG= -0.617775 logG= -0.657294 Density= 3.417884 ETOT(band)= -1.562899 trlgG= -2.228210 logG= -0.657294 TDE= -4.396963 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039536 tlogG= -0.620009 logG= -0.659545 Density= 3.418108 ETOT(band)= -1.564239 trlgG= -2.230973 logG= -0.659545 TDE= -4.397661 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039852 tlogG= -0.613385 logG= -0.653237 Density= 3.419980 ETOT(band)= -1.557629 trlgG= -2.221348 logG= -0.653237 TDE= -4.395893 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1021.47821844071 eV TrLogG= -1458.22473720779 eV Ratio to renormalize= 0.999598238688 rho-rho_expected= 0.065915337396 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 39) Finished k-point number 40 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 10) Finished k-point number 11 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 38) Finished k-point number 39 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 8) Finished k-point number 9 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 44) Finished k-point number 45 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800817148315669 0.802382271542149 0.802873175008144 0.800386469527276 0.802923867703124 0.802827614534044 0.801111129572060 0.802247035349807 0.802972274855403 0.801020660656517 0.802457574933743 0.802872099960144 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039689 tlogG= -0.614134 logG= -0.653822 Density= 3.419106 ETOT(band)= -1.559067 trlgG= -2.221769 logG= -0.653822 TDE= -4.395006 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039500 tlogG= -0.622329 logG= -0.661829 Density= 3.417844 ETOT(band)= -1.566334 trlgG= -2.235682 logG= -0.661829 TDE= -4.399869 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039288 tlogG= -0.622961 logG= -0.662249 Density= 3.416693 ETOT(band)= -1.567923 trlgG= -2.237022 logG= -0.662249 TDE= -4.399836 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039419 tlogG= -0.620414 logG= -0.659833 Density= 3.417467 ETOT(band)= -1.565312 trlgG= -2.232145 logG= -0.659833 TDE= -4.398016 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039368 tlogG= -0.623482 logG= -0.662850 Density= 3.417045 ETOT(band)= -1.567933 trlgG= -2.237875 logG= -0.662850 TDE= -4.400379 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039243 tlogG= -0.627577 logG= -0.666819 Density= 3.416072 ETOT(band)= -1.571692 trlgG= -2.245808 logG= -0.666819 TDE= -4.403540 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039391 tlogG= -0.625135 logG= -0.664526 Density= 3.416879 ETOT(band)= -1.569171 trlgG= -2.242138 logG= -0.664526 TDE= -4.402829 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.039331 tlogG= -0.627021 logG= -0.666352 Density= 3.416334 ETOT(band)= -1.570961 trlgG= -2.246238 logG= -0.666352 TDE= -4.404653 logGD-logG0= -0.039401 tlogG= -0.624769 logG= -0.664170 Density= 3.416593 ETOT(band)= -1.569091 trlgG= -2.242586 logG= -0.664170 TDE= -4.403397 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039689 tlogG= -0.617071 logG= -0.656760 Density= 3.418898 ETOT(band)= -1.561306 trlgG= -2.227065 logG= -0.656760 TDE= -4.397192 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039390 tlogG= -0.622269 logG= -0.661659 Density= 3.416700 ETOT(band)= -1.567273 trlgG= -2.237236 logG= -0.661659 TDE= -4.400647 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039853 tlogG= -0.613384 logG= -0.653237 Density= 3.419983 ETOT(band)= -1.557636 trlgG= -2.221356 logG= -0.653237 TDE= -4.395903 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039415 tlogG= -0.623043 logG= -0.662458 Density= 3.417070 ETOT(band)= -1.567483 trlgG= -2.237932 logG= -0.662458 TDE= -4.400850 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039555 tlogG= -0.620200 logG= -0.659755 Density= 3.418360 ETOT(band)= -1.564390 trlgG= -2.231094 logG= -0.659755 TDE= -4.397780 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039397 tlogG= -0.620388 logG= -0.659785 Density= 3.416908 ETOT(band)= -1.565760 trlgG= -2.232800 logG= -0.659785 TDE= -4.398256 logGD-logG0= -0.040092 tlogG= -0.609631 logG= -0.649723 Density= 3.421189 ETOT(band)= -1.553551 trlgG= -2.215985 logG= -0.649723 TDE= -4.395043 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039679 tlogG= -0.616172 logG= -0.655851 Density= 3.418827 ETOT(band)= -1.560777 trlgG= -2.225824 logG= -0.655851 TDE= -4.396801 logGD-logG0= -0.039338 tlogG= -0.620888 logG= -0.660226 Density= 3.417199 ETOT(band)= -1.566008 trlgG= -2.232999 logG= -0.660226 TDE= -4.398255 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.039469 tlogG= -0.618153 logG= -0.657622 Density= 3.417886 ETOT(band)= -1.563270 trlgG= -2.227997 logG= -0.657622 TDE= -4.396426 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039424 tlogG= -0.626427 logG= -0.665851 Density= 3.416630 ETOT(band)= -1.570164 trlgG= -2.245877 logG= -0.665851 TDE= -4.405037 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039917 tlogG= -0.612783 logG= -0.652700 Density= 3.420172 ETOT(band)= -1.556888 trlgG= -2.220945 logG= -0.652700 TDE= -4.396186 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039569 tlogG= -0.619824 logG= -0.659393 Density= 3.418204 ETOT(band)= -1.564121 trlgG= -2.231229 logG= -0.659393 TDE= -4.398148 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039628 tlogG= -0.616683 logG= -0.656311 Density= 3.418743 ETOT(band)= -1.561351 trlgG= -2.225686 logG= -0.656311 TDE= -4.396135 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039518 tlogG= -0.619574 logG= -0.659093 Density= 3.417522 ETOT(band)= -1.564458 trlgG= -2.231750 logG= -0.659093 TDE= -4.398406 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039347 tlogG= -0.625581 logG= -0.664928 Density= 3.416849 ETOT(band)= -1.569631 trlgG= -2.241574 logG= -0.664928 TDE= -4.401839 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039336 tlogG= -0.622638 logG= -0.661974 Density= 3.416691 ETOT(band)= -1.567627 trlgG= -2.237140 logG= -0.661974 TDE= -4.400228 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039981 tlogG= -0.610423 logG= -0.650404 Density= 3.420689 ETOT(band)= -1.554706 trlgG= -2.216878 logG= -0.650404 TDE= -4.394842 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039735 tlogG= -0.615656 logG= -0.655391 Density= 3.418943 ETOT(band)= -1.560180 trlgG= -2.225532 logG= -0.655391 TDE= -4.397066 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039693 tlogG= -0.617443 logG= -0.657136 Density= 3.419155 ETOT(band)= -1.561518 trlgG= -2.226942 logG= -0.657136 TDE= -4.396906 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039519 tlogG= -0.622611 logG= -0.662129 Density= 3.418184 ETOT(band)= -1.566383 trlgG= -2.235157 logG= -0.662129 TDE= -4.399324 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039769 tlogG= -0.613547 logG= -0.653316 Density= 3.419365 ETOT(band)= -1.558300 trlgG= -2.221977 logG= -0.653316 TDE= -4.395934 logGD-logG0= -0.039657 tlogG= -0.620410 logG= -0.660067 Density= 3.419307 ETOT(band)= -1.563852 trlgG= -2.230284 logG= -0.660067 TDE= -4.397442 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039469 tlogG= -0.620015 logG= -0.659483 Density= 3.417487 ETOT(band)= -1.564914 trlgG= -2.232139 logG= -0.659483 TDE= -4.398376 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039593 tlogG= -0.620214 logG= -0.659807 Density= 3.418683 ETOT(band)= -1.564069 trlgG= -2.230635 logG= -0.659807 TDE= -4.397538 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039364 tlogG= -0.620644 logG= -0.660008 Density= 3.417050 ETOT(band)= -1.565892 trlgG= -2.232834 logG= -0.660008 TDE= -4.398185 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039251 tlogG= -0.625731 logG= -0.664981 Density= 3.416243 ETOT(band)= -1.570267 trlgG= -2.242310 logG= -0.664981 TDE= -4.402021 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039792 tlogG= -0.613969 logG= -0.653761 Density= 3.419815 ETOT(band)= -1.558351 trlgG= -2.221078 logG= -0.653761 TDE= -4.394962 logGD-logG0= -0.039851 tlogG= -0.612931 logG= -0.652781 Density= 3.419622 ETOT(band)= -1.557500 trlgG= -2.221479 logG= -0.652781 TDE= -4.396183 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039870 tlogG= -0.611140 logG= -0.651010 Density= 3.420213 ETOT(band)= -1.555760 trlgG= -2.216852 logG= -0.651010 TDE= -4.393817 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039325 tlogG= -0.625269 logG= -0.664594 Density= 3.416410 ETOT(band)= -1.569708 trlgG= -2.242743 logG= -0.664594 TDE= -4.402978 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039520 tlogG= -0.617774 logG= -0.657294 Density= 3.417886 ETOT(band)= -1.562905 trlgG= -2.228217 logG= -0.657294 TDE= -4.396973 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039440 tlogG= -0.624663 logG= -0.664103 Density= 3.416939 ETOT(band)= -1.568660 trlgG= -2.242097 logG= -0.664103 TDE= -4.403261 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039485 tlogG= -0.622005 logG= -0.661490 Density= 3.417542 ETOT(band)= -1.566213 trlgG= -2.236015 logG= -0.661490 TDE= -4.400291 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039536 tlogG= -0.620008 logG= -0.659545 Density= 3.418110 ETOT(band)= -1.564245 trlgG= -2.230979 logG= -0.659545 TDE= -4.397670 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039568 tlogG= -0.617367 logG= -0.656935 Density= 3.417890 ETOT(band)= -1.562510 trlgG= -2.228106 logG= -0.656935 TDE= -4.397225 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039581 tlogG= -0.619409 logG= -0.658990 Density= 3.418080 ETOT(band)= -1.563787 trlgG= -2.231039 logG= -0.658990 TDE= -4.398259 logGD-logG0= -0.039702 tlogG= -0.617797 logG= -0.657499 Density= 3.419435 ETOT(band)= -1.561692 trlgG= -2.226472 logG= -0.657499 TDE= -4.396304 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039465 tlogG= -0.622586 logG= -0.662051 Density= 3.417136 ETOT(band)= -1.566989 trlgG= -2.237853 logG= -0.662051 TDE= -4.401232 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 Sum of eigenvalues= -1021.48245178612 eV TrLogG= -1458.23064859483 eV Ratio to renormalize= 0.999597398545 rho-rho_expected= 0.066053231774 nargs= 1 argi=dmft2.def 12) Finished k-point number 13 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 39) Finished k-point number 40 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 5) Finished k-point number 6 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800817982093050 0.802383301765805 0.802874193859572 0.800387303425246 0.802924893251703 0.802828635181689 0.801111960844895 0.802248067612297 0.802973291904919 0.801021485959843 0.802458616693094 0.802873112319227 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039424 tlogG= -0.626428 logG= -0.665853 Density= 3.416631 ETOT(band)= -1.570169 trlgG= -2.245883 logG= -0.665853 TDE= -4.405043 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039770 tlogG= -0.613548 logG= -0.653317 Density= 3.419366 ETOT(band)= -1.558305 trlgG= -2.221984 logG= -0.653317 TDE= -4.395940 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039243 tlogG= -0.627578 logG= -0.666821 Density= 3.416073 ETOT(band)= -1.571697 trlgG= -2.245815 logG= -0.666821 TDE= -4.403546 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039569 tlogG= -0.619825 logG= -0.659395 Density= 3.418205 ETOT(band)= -1.564126 trlgG= -2.231235 logG= -0.659395 TDE= -4.398154 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039419 tlogG= -0.620415 logG= -0.659834 Density= 3.417468 ETOT(band)= -1.565317 trlgG= -2.232151 logG= -0.659834 TDE= -4.398022 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039628 tlogG= -0.616685 logG= -0.656312 Density= 3.418744 ETOT(band)= -1.561356 trlgG= -2.225693 logG= -0.656312 TDE= -4.396141 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039555 tlogG= -0.620201 logG= -0.659757 Density= 3.418361 ETOT(band)= -1.564396 trlgG= -2.231101 logG= -0.659757 TDE= -4.397786 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039657 tlogG= -0.620411 logG= -0.660069 Density= 3.419308 ETOT(band)= -1.563857 trlgG= -2.230290 logG= -0.660069 TDE= -4.397448 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039851 tlogG= -0.612932 logG= -0.652783 Density= 3.419623 ETOT(band)= -1.557505 trlgG= -2.221486 logG= -0.652783 TDE= -4.396189 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039500 tlogG= -0.622331 logG= -0.661831 Density= 3.417845 ETOT(band)= -1.566340 trlgG= -2.235689 logG= -0.661831 TDE= -4.399875 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039735 tlogG= -0.615657 logG= -0.655392 Density= 3.418944 ETOT(band)= -1.560186 trlgG= -2.225539 logG= -0.655392 TDE= -4.397072 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039519 tlogG= -0.619575 logG= -0.659094 Density= 3.417523 ETOT(band)= -1.564464 trlgG= -2.231757 logG= -0.659094 TDE= -4.398412 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039469 tlogG= -0.618154 logG= -0.657623 Density= 3.417887 ETOT(band)= -1.563276 trlgG= -2.228004 logG= -0.657623 TDE= -4.396432 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039288 tlogG= -0.622962 logG= -0.662250 Density= 3.416694 ETOT(band)= -1.567928 trlgG= -2.237028 logG= -0.662250 TDE= -4.399842 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039519 tlogG= -0.622612 logG= -0.662131 Density= 3.418185 ETOT(band)= -1.566388 trlgG= -2.235163 logG= -0.662131 TDE= -4.399330 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039397 tlogG= -0.620390 logG= -0.659786 Density= 3.416909 ETOT(band)= -1.565765 trlgG= -2.232806 logG= -0.659786 TDE= -4.398262 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039582 tlogG= -0.619410 logG= -0.658991 Density= 3.418081 ETOT(band)= -1.563792 trlgG= -2.231045 logG= -0.658991 TDE= -4.398265 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039486 tlogG= -0.622006 logG= -0.661492 Density= 3.417543 ETOT(band)= -1.566218 trlgG= -2.236021 logG= -0.661492 TDE= -4.400297 logGD-logG0= -0.040092 tlogG= -0.609633 logG= -0.649725 Density= 3.421190 ETOT(band)= -1.553556 trlgG= -2.215992 logG= -0.649725 TDE= -4.395050 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039348 tlogG= -0.625582 logG= -0.664930 Density= 3.416850 ETOT(band)= -1.569636 trlgG= -2.241581 logG= -0.664930 TDE= -4.401845 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039593 tlogG= -0.620215 logG= -0.659808 Density= 3.418684 ETOT(band)= -1.564074 trlgG= -2.230642 logG= -0.659808 TDE= -4.397543 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039693 tlogG= -0.617444 logG= -0.657137 Density= 3.419156 ETOT(band)= -1.561523 trlgG= -2.226949 logG= -0.657137 TDE= -4.396912 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039416 tlogG= -0.623044 logG= -0.662459 Density= 3.417071 ETOT(band)= -1.567488 trlgG= -2.237938 logG= -0.662459 TDE= -4.400856 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039568 tlogG= -0.617368 logG= -0.656936 Density= 3.417891 ETOT(band)= -1.562515 trlgG= -2.228113 logG= -0.656936 TDE= -4.397231 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039364 tlogG= -0.620645 logG= -0.660009 Density= 3.417050 ETOT(band)= -1.565897 trlgG= -2.232841 logG= -0.660009 TDE= -4.398191 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039917 tlogG= -0.612784 logG= -0.652701 Density= 3.420173 ETOT(band)= -1.556893 trlgG= -2.220952 logG= -0.652701 TDE= -4.396192 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039336 tlogG= -0.622639 logG= -0.661976 Density= 3.416692 ETOT(band)= -1.567632 trlgG= -2.237146 logG= -0.661976 TDE= -4.400234 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039679 tlogG= -0.616173 logG= -0.655852 Density= 3.418828 ETOT(band)= -1.560783 trlgG= -2.225830 logG= -0.655852 TDE= -4.396807 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039537 tlogG= -0.620009 logG= -0.659546 Density= 3.418111 ETOT(band)= -1.564250 trlgG= -2.230986 logG= -0.659546 TDE= -4.397676 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039369 tlogG= -0.623483 logG= -0.662852 Density= 3.417046 ETOT(band)= -1.567938 trlgG= -2.237881 logG= -0.662852 TDE= -4.400385 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039689 tlogG= -0.614135 logG= -0.653824 Density= 3.419107 ETOT(band)= -1.559072 trlgG= -2.221776 logG= -0.653824 TDE= -4.395012 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039982 tlogG= -0.610424 logG= -0.650405 Density= 3.420690 ETOT(band)= -1.554711 trlgG= -2.216885 logG= -0.650405 TDE= -4.394848 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039402 tlogG= -0.624770 logG= -0.664172 Density= 3.416594 ETOT(band)= -1.569097 trlgG= -2.242593 logG= -0.664172 TDE= -4.403403 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039331 tlogG= -0.627022 logG= -0.666353 Density= 3.416335 ETOT(band)= -1.570966 trlgG= -2.246245 logG= -0.666353 TDE= -4.404659 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039703 tlogG= -0.617798 logG= -0.657501 Density= 3.419436 ETOT(band)= -1.561697 trlgG= -2.226478 logG= -0.657501 TDE= -4.396310 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039390 tlogG= -0.622270 logG= -0.661660 Density= 3.416701 ETOT(band)= -1.567278 trlgG= -2.237243 logG= -0.661660 TDE= -4.400653 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039441 tlogG= -0.624664 logG= -0.664105 Density= 3.416940 ETOT(band)= -1.568665 trlgG= -2.242104 logG= -0.664105 TDE= -4.403267 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039325 tlogG= -0.625270 logG= -0.664596 Density= 3.416411 ETOT(band)= -1.569713 trlgG= -2.242750 logG= -0.664596 TDE= -4.402984 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039338 tlogG= -0.620890 logG= -0.660228 Density= 3.417200 ETOT(band)= -1.566013 trlgG= -2.233006 logG= -0.660228 TDE= -4.398261 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.039465 tlogG= -0.622587 logG= -0.662052 Density= 3.417137 ETOT(band)= -1.566994 trlgG= -2.237860 logG= -0.662052 TDE= -4.401238 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.039391 tlogG= -0.625137 logG= -0.664528 Density= 3.416880 ETOT(band)= -1.569177 trlgG= -2.242144 logG= -0.664528 TDE= -4.402835 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.039469 tlogG= -0.620016 logG= -0.659485 Density= 3.417488 ETOT(band)= -1.564919 trlgG= -2.232145 logG= -0.659485 TDE= -4.398382 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039870 tlogG= -0.611141 logG= -0.651011 Density= 3.420214 ETOT(band)= -1.555765 trlgG= -2.216859 logG= -0.651011 TDE= -4.393823 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039792 tlogG= -0.613970 logG= -0.653762 Density= 3.419816 ETOT(band)= -1.558356 trlgG= -2.221084 logG= -0.653762 TDE= -4.394968 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039251 tlogG= -0.625732 logG= -0.664983 Density= 3.416244 ETOT(band)= -1.570273 trlgG= -2.242317 logG= -0.664983 TDE= -4.402027 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039854 tlogG= -0.613385 logG= -0.653239 Density= 3.419984 ETOT(band)= -1.557641 trlgG= -2.221363 logG= -0.653239 TDE= -4.395909 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039520 tlogG= -0.617775 logG= -0.657296 Density= 3.417887 ETOT(band)= -1.562911 trlgG= -2.228223 logG= -0.657296 TDE= -4.396979 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039689 tlogG= -0.617072 logG= -0.656762 Density= 3.418899 ETOT(band)= -1.561311 trlgG= -2.227072 logG= -0.656762 TDE= -4.397198 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 Sum of eigenvalues= -1021.48581695535 eV TrLogG= -1458.23550972484 eV Ratio to renormalize= 0.999597120371 rho-rho_expected= 0.066098889065 nargs= 1 argi=dmft2.def 15) Finished k-point number 16 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 33) Finished k-point number 34 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 3) Finished k-point number 4 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 21) Finished k-point number 22 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 8) Finished k-point number 9 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800815691328498 0.802381578731639 0.802872195573773 0.800384985658660 0.802923188797067 0.802826641089814 0.801109679909182 0.802246336844269 0.802971289472903 0.801019225947979 0.802456840581317 0.802871142685368 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039242 tlogG= -0.627573 logG= -0.666816 Density= 3.416071 ETOT(band)= -1.571688 trlgG= -2.245800 logG= -0.666816 TDE= -4.403534 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039424 tlogG= -0.626424 logG= -0.665848 Density= 3.416629 ETOT(band)= -1.570159 trlgG= -2.245868 logG= -0.665848 TDE= -4.405032 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039396 tlogG= -0.620385 logG= -0.659781 Density= 3.416906 ETOT(band)= -1.565756 trlgG= -2.232792 logG= -0.659781 TDE= -4.398251 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039401 tlogG= -0.624766 logG= -0.664167 Density= 3.416592 ETOT(band)= -1.569087 trlgG= -2.242578 logG= -0.664167 TDE= -4.403391 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039469 tlogG= -0.618149 logG= -0.657618 Density= 3.417885 ETOT(band)= -1.563266 trlgG= -2.227989 logG= -0.657618 TDE= -4.396420 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039499 tlogG= -0.622326 logG= -0.661826 Density= 3.417843 ETOT(band)= -1.566330 trlgG= -2.235674 logG= -0.661826 TDE= -4.399863 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039347 tlogG= -0.625577 logG= -0.664924 Density= 3.416848 ETOT(band)= -1.569627 trlgG= -2.241566 logG= -0.664924 TDE= -4.401833 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039418 tlogG= -0.620411 logG= -0.659829 Density= 3.417466 ETOT(band)= -1.565308 trlgG= -2.232137 logG= -0.659829 TDE= -4.398011 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039627 tlogG= -0.616680 logG= -0.656307 Density= 3.418742 ETOT(band)= -1.561346 trlgG= -2.225678 logG= -0.656307 TDE= -4.396129 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039689 tlogG= -0.617068 logG= -0.656757 Density= 3.418897 ETOT(band)= -1.561302 trlgG= -2.227057 logG= -0.656757 TDE= -4.397186 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039389 tlogG= -0.622266 logG= -0.661655 Density= 3.416699 ETOT(band)= -1.567268 trlgG= -2.237228 logG= -0.661655 TDE= -4.400641 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039337 tlogG= -0.620885 logG= -0.660223 Density= 3.417198 ETOT(band)= -1.566003 trlgG= -2.232991 logG= -0.660223 TDE= -4.398250 logGD-logG0= -0.039702 tlogG= -0.617794 logG= -0.657496 Density= 3.419434 ETOT(band)= -1.561688 trlgG= -2.226464 logG= -0.657496 TDE= -4.396298 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039518 tlogG= -0.622608 logG= -0.662126 Density= 3.418183 ETOT(band)= -1.566379 trlgG= -2.235149 logG= -0.662126 TDE= -4.399319 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039555 tlogG= -0.620197 logG= -0.659752 Density= 3.418358 ETOT(band)= -1.564386 trlgG= -2.231086 logG= -0.659752 TDE= -4.397775 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039679 tlogG= -0.616169 logG= -0.655847 Density= 3.418826 ETOT(band)= -1.560773 trlgG= -2.225815 logG= -0.655847 TDE= -4.396795 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039368 tlogG= -0.623479 logG= -0.662847 Density= 3.417044 ETOT(band)= -1.567929 trlgG= -2.237867 logG= -0.662847 TDE= -4.400374 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039325 tlogG= -0.625266 logG= -0.664591 Density= 3.416408 ETOT(band)= -1.569704 trlgG= -2.242735 logG= -0.664591 TDE= -4.402973 logGD-logG0= -0.039593 tlogG= -0.620211 logG= -0.659803 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Density= 3.418682 ETOT(band)= -1.564064 trlgG= -2.230627 logG= -0.659803 TDE= -4.397532 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039464 tlogG= -0.622583 logG= -0.662047 Density= 3.417135 ETOT(band)= -1.566984 trlgG= -2.237845 logG= -0.662047 TDE= -4.401227 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.039336 tlogG= -0.622635 logG= -0.661971 Density= 3.416690 ETOT(band)= -1.567622 trlgG= -2.237132 logG= -0.661971 TDE= -4.400222 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039581 tlogG= -0.619406 logG= -0.658986 Density= 3.418078 ETOT(band)= -1.563782 trlgG= -2.231031 logG= -0.658986 TDE= -4.398253 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039769 tlogG= -0.613544 logG= -0.653312 Density= 3.419363 ETOT(band)= -1.558295 trlgG= -2.221969 logG= -0.653312 TDE= -4.395928 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039689 tlogG= -0.614130 logG= -0.653819 Density= 3.419105 ETOT(band)= -1.559062 trlgG= -2.221761 logG= -0.653819 TDE= -4.395000 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039518 tlogG= -0.619571 logG= -0.659089 Density= 3.417521 ETOT(band)= -1.564454 trlgG= -2.231742 logG= -0.659089 TDE= -4.398401 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039734 tlogG= -0.615653 logG= -0.655387 Density= 3.418942 ETOT(band)= -1.560176 trlgG= -2.225524 logG= -0.655387 TDE= -4.397060 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.040091 tlogG= -0.609628 logG= -0.649720 Density= 3.421188 ETOT(band)= -1.553546 trlgG= -2.215977 logG= -0.649720 TDE= -4.395037 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039569 tlogG= -0.619821 logG= -0.659390 Density= 3.418202 ETOT(band)= -1.564117 trlgG= -2.231221 logG= -0.659390 TDE= -4.398143 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039917 tlogG= -0.612780 logG= -0.652696 Density= 3.420171 ETOT(band)= -1.556884 trlgG= -2.220937 logG= -0.652696 TDE= -4.396180 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039363 tlogG= -0.620641 logG= -0.660004 Density= 3.417048 ETOT(band)= -1.565887 trlgG= -2.232827 logG= -0.660004 TDE= -4.398180 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039485 tlogG= -0.622001 logG= -0.661486 Density= 3.417541 ETOT(band)= -1.566209 trlgG= -2.236006 logG= -0.661486 TDE= -4.400285 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039390 tlogG= -0.625132 logG= -0.664523 Density= 3.416878 ETOT(band)= -1.569167 trlgG= -2.242129 logG= -0.664523 TDE= -4.402824 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.039536 tlogG= -0.620005 logG= -0.659541 Density= 3.418109 ETOT(band)= -1.564241 trlgG= -2.230971 logG= -0.659541 TDE= -4.397665 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039288 tlogG= -0.622958 logG= -0.662245 Density= 3.416691 ETOT(band)= -1.567918 trlgG= -2.237014 logG= -0.662245 TDE= -4.399831 logGD-logG0= -0.039250 tlogG= -0.625728 logG= -0.664978 Density= 3.416242 ETOT(band)= -1.570263 trlgG= -2.242302 logG= -0.664978 TDE= -4.402015 logGD-logG0= -0.039567 tlogG= -0.617364 logG= -0.656931 Density= 3.417889 ETOT(band)= -1.562505 trlgG= -2.228098 logG= -0.656931 TDE= -4.397219 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039440 tlogG= -0.624660 logG= -0.664100 Density= 3.416938 ETOT(band)= -1.568655 trlgG= -2.242089 logG= -0.664100 TDE= -4.403256 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039853 tlogG= -0.613381 logG= -0.653234 Density= 3.419982 ETOT(band)= -1.557631 trlgG= -2.221347 logG= -0.653234 TDE= -4.395897 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039869 tlogG= -0.611137 logG= -0.651006 Density= 3.420212 ETOT(band)= -1.555755 trlgG= -2.216844 logG= -0.651006 TDE= -4.393811 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039415 tlogG= -0.623039 logG= -0.662454 Density= 3.417069 ETOT(band)= -1.567478 trlgG= -2.237924 logG= -0.662454 TDE= -4.400844 logGD-logG0= -0.039520 tlogG= -0.617771 logG= -0.657291 Density= 3.417885 ETOT(band)= -1.562901 trlgG= -2.228208 logG= -0.657291 TDE= -4.396967 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039850 tlogG= -0.612928 logG= -0.652778 Density= 3.419621 ETOT(band)= -1.557495 trlgG= -2.221471 logG= -0.652778 TDE= -4.396177 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039331 tlogG= -0.627018 logG= -0.666348 Density= 3.416332 ETOT(band)= -1.570956 trlgG= -2.246230 logG= -0.666348 TDE= -4.404647 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039981 tlogG= -0.610420 logG= -0.650400 Density= 3.420688 ETOT(band)= -1.554702 trlgG= -2.216870 logG= -0.650400 TDE= -4.394836 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039693 tlogG= -0.617440 logG= -0.657132 Density= 3.419154 ETOT(band)= -1.561513 trlgG= -2.226934 logG= -0.657132 TDE= -4.396900 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039791 tlogG= -0.613966 logG= -0.653757 Density= 3.419814 ETOT(band)= -1.558346 trlgG= -2.221069 logG= -0.653757 TDE= -4.394957 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039657 tlogG= -0.620407 logG= -0.660064 Density= 3.419306 ETOT(band)= -1.563847 trlgG= -2.230276 logG= -0.660064 TDE= -4.397437 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039468 tlogG= -0.620011 logG= -0.659480 Density= 3.417486 ETOT(band)= -1.564910 trlgG= -2.232131 logG= -0.659480 TDE= -4.398371 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 Sum of eigenvalues= -1021.47950721564 eV TrLogG= -1458.22464225881 eV Ratio to renormalize= 0.999597771964 rho-rho_expected= 0.065991941733 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 28) Finished k-point number 29 1 with #bands= 107 9) Finished k-point number 10 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 47) Finished k-point number 48 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 107 2) Finished k-point number 3 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800815333664183 0.802381783395178 0.802872215831575 0.800384610771304 0.802923399049448 0.802826671521958 0.801109323614841 0.802246542343891 0.802971307412373 0.801018871463354 0.802457029186471 0.802871176085441 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039242 tlogG= -0.627571 logG= -0.666813 Density= 3.416070 ETOT(band)= -1.571685 trlgG= -2.245796 logG= -0.666813 TDE= -4.403531 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039424 tlogG= -0.626422 logG= -0.665845 Density= 3.416629 ETOT(band)= -1.570157 trlgG= -2.245864 logG= -0.665845 TDE= -4.405029 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039554 tlogG= -0.620195 logG= -0.659749 Density= 3.418358 ETOT(band)= -1.564383 trlgG= -2.231081 logG= -0.659749 TDE= -4.397772 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039678 tlogG= -0.616167 logG= -0.655845 Density= 3.418825 ETOT(band)= -1.560770 trlgG= -2.225810 logG= -0.655845 TDE= -4.396792 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039396 tlogG= -0.620383 logG= -0.659779 Density= 3.416906 ETOT(band)= -1.565753 trlgG= -2.232787 logG= -0.659779 TDE= -4.398248 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039567 tlogG= -0.617362 logG= -0.656929 Density= 3.417888 ETOT(band)= -1.562503 trlgG= -2.228093 logG= -0.656929 TDE= -4.397216 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039415 tlogG= -0.623037 logG= -0.662452 Density= 3.417068 ETOT(band)= -1.567476 trlgG= -2.237919 logG= -0.662452 TDE= -4.400841 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039499 tlogG= -0.622324 logG= -0.661823 Density= 3.417842 ETOT(band)= -1.566327 trlgG= -2.235670 logG= -0.661823 TDE= -4.399860 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039627 tlogG= -0.616678 logG= -0.656305 Density= 3.418741 ETOT(band)= -1.561344 trlgG= -2.225674 logG= -0.656305 TDE= -4.396126 logGD-logG0= -0.039389 tlogG= -0.622264 logG= -0.661653 Density= 3.416698 ETOT(band)= -1.567266 trlgG= -2.237223 logG= -0.661653 TDE= -4.400638 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039485 tlogG= -0.621999 logG= -0.661484 Density= 3.417541 ETOT(band)= -1.566206 trlgG= -2.236002 logG= -0.661484 TDE= -4.400282 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039518 tlogG= -0.619569 logG= -0.659087 Density= 3.417520 ETOT(band)= -1.564452 trlgG= -2.231737 logG= -0.659087 TDE= -4.398398 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039850 tlogG= -0.612926 logG= -0.652776 Density= 3.419620 ETOT(band)= -1.557493 trlgG= -2.221466 logG= -0.652776 TDE= -4.396174 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039347 tlogG= -0.625575 logG= -0.664922 Density= 3.416847 ETOT(band)= -1.569624 trlgG= -2.241562 logG= -0.664922 TDE= -4.401830 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039981 tlogG= -0.610418 logG= -0.650398 Density= 3.420687 ETOT(band)= -1.554699 trlgG= -2.216865 logG= -0.650398 TDE= -4.394833 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039769 tlogG= -0.613542 logG= -0.653310 Density= 3.419363 ETOT(band)= -1.558293 trlgG= -2.221964 logG= -0.653310 TDE= -4.395925 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039518 tlogG= -0.622606 logG= -0.662124 Density= 3.418182 ETOT(band)= -1.566376 trlgG= -2.235144 logG= -0.662124 TDE= -4.399316 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039418 tlogG= -0.620409 logG= -0.659827 Density= 3.417465 ETOT(band)= -1.565305 trlgG= -2.232132 logG= -0.659827 TDE= -4.398008 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039368 tlogG= -0.623477 logG= -0.662845 Density= 3.417043 ETOT(band)= -1.567926 trlgG= -2.237862 logG= -0.662845 TDE= -4.400371 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039287 tlogG= -0.622956 logG= -0.662243 Density= 3.416691 ETOT(band)= -1.567916 trlgG= -2.237009 logG= -0.662243 TDE= -4.399828 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.039688 tlogG= -0.617066 logG= -0.656754 Density= 3.418896 ETOT(band)= -1.561299 trlgG= -2.227052 logG= -0.656754 TDE= -4.397183 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039688 tlogG= -0.614128 logG= -0.653817 Density= 3.419104 ETOT(band)= -1.559060 trlgG= -2.221756 logG= -0.653817 TDE= -4.394997 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039468 tlogG= -0.620010 logG= -0.659478 Density= 3.417485 ETOT(band)= -1.564907 trlgG= -2.232126 logG= -0.659478 TDE= -4.398368 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039331 tlogG= -0.627016 logG= -0.666346 Density= 3.416332 ETOT(band)= -1.570954 trlgG= -2.246225 logG= -0.666346 TDE= -4.404644 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039401 tlogG= -0.624764 logG= -0.664164 Density= 3.416591 ETOT(band)= -1.569084 trlgG= -2.242573 logG= -0.664164 TDE= -4.403388 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039337 tlogG= -0.620883 logG= -0.660220 Density= 3.417197 ETOT(band)= -1.566001 trlgG= -2.232987 logG= -0.660220 TDE= -4.398247 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039363 tlogG= -0.620639 logG= -0.660002 Density= 3.417048 ETOT(band)= -1.565885 trlgG= -2.232822 logG= -0.660002 TDE= -4.398177 logGD-logG0= -0.039702 tlogG= -0.617792 logG= -0.657493 Density= 3.419433 ETOT(band)= -1.561685 trlgG= -2.226459 logG= -0.657493 TDE= -4.396295 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039390 tlogG= -0.625130 logG= -0.664520 Density= 3.416878 ETOT(band)= -1.569164 trlgG= -2.242125 logG= -0.664520 TDE= -4.402820 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.039791 tlogG= -0.613964 logG= -0.653755 Density= 3.419813 ETOT(band)= -1.558344 trlgG= -2.221065 logG= -0.653755 TDE= -4.394953 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039250 tlogG= -0.625726 logG= -0.664976 Density= 3.416241 ETOT(band)= -1.570260 trlgG= -2.242298 logG= -0.664976 TDE= -4.402012 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039581 tlogG= -0.619404 logG= -0.658984 Density= 3.418078 ETOT(band)= -1.563780 trlgG= -2.231026 logG= -0.658984 TDE= -4.398250 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039469 tlogG= -0.618148 logG= -0.657616 Density= 3.417884 ETOT(band)= -1.563263 trlgG= -2.227985 logG= -0.657616 TDE= -4.396417 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039536 tlogG= -0.620003 logG= -0.659539 Density= 3.418108 ETOT(band)= -1.564238 trlgG= -2.230966 logG= -0.659539 TDE= -4.397661 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039568 tlogG= -0.619819 logG= -0.659387 Density= 3.418202 ETOT(band)= -1.564114 trlgG= -2.231216 logG= -0.659387 TDE= -4.398140 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039464 tlogG= -0.622581 logG= -0.662045 Density= 3.417134 ETOT(band)= -1.566982 trlgG= -2.237840 logG= -0.662045 TDE= -4.401224 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.039335 tlogG= -0.622633 logG= -0.661969 Density= 3.416690 ETOT(band)= -1.567620 trlgG= -2.237127 logG= -0.661969 TDE= -4.400219 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.040091 tlogG= -0.609626 logG= -0.649717 Density= 3.421187 ETOT(band)= -1.553544 trlgG= -2.215972 logG= -0.649717 TDE= -4.395034 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039916 tlogG= -0.612778 logG= -0.652694 Density= 3.420170 ETOT(band)= -1.556881 trlgG= -2.220932 logG= -0.652694 TDE= -4.396177 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039734 tlogG= -0.615651 logG= -0.655385 Density= 3.418941 ETOT(band)= -1.560173 trlgG= -2.225519 logG= -0.655385 TDE= -4.397057 logGD-logG0= -0.039325 tlogG= -0.625264 logG= -0.664589 Density= 3.416408 ETOT(band)= -1.569701 trlgG= -2.242730 logG= -0.664589 TDE= -4.402970 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039692 tlogG= -0.617438 logG= -0.657130 Density= 3.419153 ETOT(band)= -1.561511 trlgG= -2.226929 logG= -0.657130 TDE= -4.396897 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039869 tlogG= -0.611135 logG= -0.651004 Density= 3.420211 ETOT(band)= -1.555753 trlgG= -2.216839 logG= -0.651004 TDE= -4.393808 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039520 tlogG= -0.617769 logG= -0.657288 Density= 3.417884 ETOT(band)= -1.562899 trlgG= -2.228204 logG= -0.657288 TDE= -4.396964 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039853 tlogG= -0.613379 logG= -0.653231 Density= 3.419981 ETOT(band)= -1.557629 trlgG= -2.221343 logG= -0.653231 TDE= -4.395893 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039657 tlogG= -0.620405 logG= -0.660061 Density= 3.419305 ETOT(band)= -1.563845 trlgG= -2.230272 logG= -0.660061 TDE= -4.397434 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039440 tlogG= -0.624658 logG= -0.664097 Density= 3.416937 ETOT(band)= -1.568652 trlgG= -2.242084 logG= -0.664097 TDE= -4.403253 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039592 tlogG= -0.620209 logG= -0.659801 Density= 3.418681 ETOT(band)= -1.564062 trlgG= -2.230622 logG= -0.659801 TDE= -4.397529 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1021.47788593980 eV TrLogG= -1458.22120900401 eV Ratio to renormalize= 0.999597978537 rho-rho_expected= 0.065958036430 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 15) Finished k-point number 16 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 43) Finished k-point number 44 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 38) Finished k-point number 39 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 25) Finished k-point number 26 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800819576209368 0.802387224362710 0.802876511748524 0.800388911620920 0.802928775544180 0.802830967004457 0.801113546967024 0.802252012397787 0.802975601964030 0.801023037736829 0.802462581150615 0.802875418137038 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039243 tlogG= -0.627576 logG= -0.666820 logGD-logG0= -0.039680 tlogG= -0.616171 logG= -0.655851 Density= 3.416075 ETOT(band)= -1.571699 trlgG= -2.245816 logG= -0.666820 TDE= -4.403549 Density= 3.418830 ETOT(band)= -1.560785 trlgG= -2.225832 logG= -0.655851 TDE= -4.396812 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039470 tlogG= -0.618152 logG= -0.657622 Density= 3.417889 ETOT(band)= -1.563278 trlgG= -2.228005 logG= -0.657622 TDE= -4.396436 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039251 tlogG= -0.625730 logG= -0.664982 Density= 3.416246 ETOT(band)= -1.570275 trlgG= -2.242318 logG= -0.664982 TDE= -4.402030 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039369 tlogG= -0.623482 logG= -0.662851 Density= 3.417048 ETOT(band)= -1.567940 trlgG= -2.237882 logG= -0.662851 TDE= -4.400389 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039339 tlogG= -0.620888 logG= -0.660227 Density= 3.417202 ETOT(band)= -1.566015 trlgG= -2.233006 logG= -0.660227 TDE= -4.398264 logGD-logG0= -0.039390 tlogG= -0.622269 logG= -0.661659 Density= 3.416703 ETOT(band)= -1.567280 trlgG= -2.237244 logG= -0.661659 TDE= -4.400656 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.039501 tlogG= -0.622329 logG= -0.661830 Density= 3.417847 ETOT(band)= -1.566342 trlgG= -2.235690 logG= -0.661830 TDE= -4.399878 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039364 tlogG= -0.620644 logG= -0.660008 Density= 3.417052 ETOT(band)= -1.565899 trlgG= -2.232842 logG= -0.660008 TDE= -4.398195 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039420 tlogG= -0.620413 logG= -0.659833 Density= 3.417470 ETOT(band)= -1.565320 trlgG= -2.232152 logG= -0.659833 TDE= -4.398026 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039425 tlogG= -0.626426 logG= -0.665851 Density= 3.416633 ETOT(band)= -1.570171 trlgG= -2.245884 logG= -0.665851 TDE= -4.405047 logGD-logG0= -0.039402 tlogG= -0.624769 logG= -0.664171 Density= 3.416596 ETOT(band)= -1.569099 trlgG= -2.242594 logG= -0.664171 TDE= -4.403406 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039397 tlogG= -0.620388 logG= -0.659785 Density= 3.416911 ETOT(band)= -1.565767 trlgG= -2.232807 logG= -0.659785 TDE= -4.398265 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039519 tlogG= -0.622610 logG= -0.662130 Density= 3.418187 ETOT(band)= -1.566390 trlgG= -2.235164 logG= -0.662130 TDE= -4.399333 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039703 tlogG= -0.617797 logG= -0.657500 Density= 3.419438 ETOT(band)= -1.561700 trlgG= -2.226480 logG= -0.657500 TDE= -4.396314 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039570 tlogG= -0.619824 logG= -0.659394 Density= 3.418207 ETOT(band)= -1.564128 trlgG= -2.231236 logG= -0.659394 TDE= -4.398158 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039348 tlogG= -0.625580 logG= -0.664928 Density= 3.416852 ETOT(band)= -1.569639 trlgG= -2.241582 logG= -0.664928 TDE= -4.401848 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039694 tlogG= -0.617442 logG= -0.657136 Density= 3.419158 ETOT(band)= -1.561525 trlgG= -2.226951 logG= -0.657136 TDE= -4.396916 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039392 tlogG= -0.625135 logG= -0.664527 Density= 3.416882 ETOT(band)= -1.569179 trlgG= -2.242145 logG= -0.664527 TDE= -4.402839 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.039628 tlogG= -0.616683 logG= -0.656311 Density= 3.418746 ETOT(band)= -1.561358 trlgG= -2.225695 logG= -0.656311 TDE= -4.396145 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039851 tlogG= -0.612930 logG= -0.652782 Density= 3.419625 ETOT(band)= -1.557507 trlgG= -2.221487 logG= -0.652782 TDE= -4.396194 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039690 tlogG= -0.614133 logG= -0.653823 Density= 3.419109 ETOT(band)= -1.559074 trlgG= -2.221777 logG= -0.653823 TDE= -4.395016 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039441 tlogG= -0.624662 logG= -0.664104 Density= 3.416942 ETOT(band)= -1.568667 trlgG= -2.242105 logG= -0.664104 TDE= -4.403271 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039736 tlogG= -0.615655 logG= -0.655391 Density= 3.418946 ETOT(band)= -1.560188 trlgG= -2.225541 logG= -0.655391 TDE= -4.397076 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039556 tlogG= -0.620200 logG= -0.659756 Density= 3.418363 ETOT(band)= -1.564398 trlgG= -2.231102 logG= -0.659756 TDE= -4.397790 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039521 tlogG= -0.617774 logG= -0.657295 Density= 3.417889 ETOT(band)= -1.562913 trlgG= -2.228225 logG= -0.657295 TDE= -4.396983 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039982 tlogG= -0.610422 logG= -0.650404 Density= 3.420692 ETOT(band)= -1.554713 trlgG= -2.216887 logG= -0.650404 TDE= -4.394853 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039854 tlogG= -0.613383 logG= -0.653238 Density= 3.419986 ETOT(band)= -1.557643 trlgG= -2.221364 logG= -0.653238 TDE= -4.395913 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039690 tlogG= -0.617071 logG= -0.656761 Density= 3.418901 ETOT(band)= -1.561313 trlgG= -2.227073 logG= -0.656761 TDE= -4.397202 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039658 tlogG= -0.620410 logG= -0.660068 Density= 3.419310 ETOT(band)= -1.563859 trlgG= -2.230291 logG= -0.660068 TDE= -4.397451 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039466 tlogG= -0.622586 logG= -0.662051 Density= 3.417139 ETOT(band)= -1.566996 trlgG= -2.237861 logG= -0.662051 TDE= -4.401242 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.039337 tlogG= -0.622638 logG= -0.661975 Density= 3.416694 ETOT(band)= -1.567634 trlgG= -2.237148 logG= -0.661975 TDE= -4.400238 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039519 tlogG= -0.619574 logG= -0.659093 Density= 3.417525 ETOT(band)= -1.564466 trlgG= -2.231758 logG= -0.659093 TDE= -4.398416 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039870 tlogG= -0.611139 logG= -0.651010 Density= 3.420216 ETOT(band)= -1.555767 trlgG= -2.216860 logG= -0.651010 TDE= -4.393827 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039569 tlogG= -0.617367 logG= -0.656935 Density= 3.417893 ETOT(band)= -1.562517 trlgG= -2.228115 logG= -0.656935 TDE= -4.397235 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039537 tlogG= -0.620008 logG= -0.659545 Density= 3.418113 ETOT(band)= -1.564253 trlgG= -2.230987 logG= -0.659545 TDE= -4.397680 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039770 tlogG= -0.613546 logG= -0.653316 Density= 3.419368 ETOT(band)= -1.558307 trlgG= -2.221985 logG= -0.653316 TDE= -4.395944 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039918 tlogG= -0.612782 logG= -0.652700 Density= 3.420175 ETOT(band)= -1.556895 trlgG= -2.220954 logG= -0.652700 TDE= -4.396197 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039416 tlogG= -0.623042 logG= -0.662458 Density= 3.417073 ETOT(band)= -1.567490 trlgG= -2.237940 logG= -0.662458 TDE= -4.400859 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039332 tlogG= -0.627020 logG= -0.666352 Density= 3.416337 ETOT(band)= -1.570968 trlgG= -2.246246 logG= -0.666352 TDE= -4.404662 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039470 tlogG= -0.620014 logG= -0.659484 Density= 3.417490 ETOT(band)= -1.564922 trlgG= -2.232146 logG= -0.659484 TDE= -4.398386 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039793 tlogG= -0.613968 logG= -0.653761 Density= 3.419818 ETOT(band)= -1.558358 trlgG= -2.221086 logG= -0.653761 TDE= -4.394973 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.040093 tlogG= -0.609631 logG= -0.649723 Density= 3.421192 ETOT(band)= -1.553558 trlgG= -2.215994 logG= -0.649723 TDE= -4.395054 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039594 tlogG= -0.620213 logG= -0.659807 Density= 3.418686 ETOT(band)= -1.564076 trlgG= -2.230643 logG= -0.659807 TDE= -4.397547 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039486 tlogG= -0.622004 logG= -0.661490 Density= 3.417545 ETOT(band)= -1.566221 trlgG= -2.236022 logG= -0.661490 TDE= -4.400300 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039326 tlogG= -0.625269 logG= -0.664595 Density= 3.416413 ETOT(band)= -1.569715 trlgG= -2.242751 logG= -0.664595 TDE= -4.402988 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039582 tlogG= -0.619408 logG= -0.658990 Density= 3.418083 ETOT(band)= -1.563794 trlgG= -2.231047 logG= -0.658990 TDE= -4.398269 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039289 tlogG= -0.622960 logG= -0.662249 Density= 3.416695 ETOT(band)= -1.567930 trlgG= -2.237029 logG= -0.662249 TDE= -4.399846 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 Sum of eigenvalues= -1021.48716752242 eV TrLogG= -1458.23737502891 eV Ratio to renormalize= 0.999596540202 rho-rho_expected= 0.066194113546 nargs= 1 argi=dmft2.def 38) Finished k-point number 39 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 107 7) Finished k-point number 8 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 35) Finished k-point number 36 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 44) Finished k-point number 45 1 with #bands= 107 36) Finished k-point number 37 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800816240775938 0.802381693327065 0.802872708756726 0.800385531815611 0.802923307702434 0.802827155091537 0.801110230862927 0.802246448255694 0.802971803600329 0.801019772939597 0.802456953908650 0.802871662544427 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039242 tlogG= -0.627571 logG= -0.666813 Density= 3.416070 ETOT(band)= -1.571683 trlgG= -2.245793 logG= -0.666813 TDE= -4.403529 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039401 tlogG= -0.624763 logG= -0.664164 Density= 3.416591 ETOT(band)= -1.569082 trlgG= -2.242570 logG= -0.664164 TDE= -4.403386 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039337 tlogG= -0.620883 logG= -0.660220 Density= 3.417197 ETOT(band)= -1.565999 trlgG= -2.232984 logG= -0.660220 TDE= -4.398245 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039769 tlogG= -0.613541 logG= -0.653310 Density= 3.419363 ETOT(band)= -1.558291 trlgG= -2.221961 logG= -0.653310 TDE= -4.395922 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039250 tlogG= -0.625725 logG= -0.664975 Density= 3.416241 ETOT(band)= -1.570258 trlgG= -2.242295 logG= -0.664975 TDE= -4.402010 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039347 tlogG= -0.625575 logG= -0.664922 Density= 3.416847 ETOT(band)= -1.569622 trlgG= -2.241559 logG= -0.664922 TDE= -4.401828 logGD-logG0= -0.039568 tlogG= -0.619818 logG= -0.659387 Density= 3.418202 ETOT(band)= -1.564112 trlgG= -2.231213 logG= -0.659387 TDE= -4.398138 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039627 tlogG= -0.616678 logG= -0.656305 Density= 3.418741 ETOT(band)= -1.561342 trlgG= -2.225671 logG= -0.656305 TDE= -4.396124 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039499 tlogG= -0.622324 logG= -0.661823 Density= 3.417842 ETOT(band)= -1.566325 trlgG= -2.235667 logG= -0.661823 TDE= -4.399858 logGD-logG0= -0.039424 tlogG= -0.626421 logG= -0.665845 Density= 3.416629 ETOT(band)= -1.570155 trlgG= -2.245861 logG= -0.665845 TDE= -4.405027 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039518 tlogG= -0.622605 logG= -0.662123 Density= 3.418182 ETOT(band)= -1.566374 trlgG= -2.235142 logG= -0.662123 TDE= -4.399314 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039389 tlogG= -0.622263 logG= -0.661653 Density= 3.416698 ETOT(band)= -1.567264 trlgG= -2.237221 logG= -0.661653 TDE= -4.400636 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039678 tlogG= -0.616166 logG= -0.655845 Density= 3.418825 ETOT(band)= -1.560768 trlgG= -2.225808 logG= -0.655845 TDE= -4.396790 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039396 tlogG= -0.620383 logG= -0.659778 Density= 3.416906 ETOT(band)= -1.565751 trlgG= -2.232784 logG= -0.659778 TDE= -4.398245 logGD-logG0= -0.039469 tlogG= -0.618147 logG= -0.657615 Density= 3.417884 ETOT(band)= -1.563261 trlgG= -2.227982 logG= -0.657615 TDE= -4.396415 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039418 tlogG= -0.620408 logG= -0.659826 Density= 3.417465 ETOT(band)= -1.565303 trlgG= -2.232130 logG= -0.659826 TDE= -4.398006 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039363 tlogG= -0.620638 logG= -0.660001 Density= 3.417048 ETOT(band)= -1.565883 trlgG= -2.232819 logG= -0.660001 TDE= -4.398175 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039536 tlogG= -0.620002 logG= -0.659538 Density= 3.418108 ETOT(band)= -1.564236 trlgG= -2.230964 logG= -0.659538 TDE= -4.397659 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039702 tlogG= -0.617791 logG= -0.657493 Density= 3.419433 ETOT(band)= -1.561683 trlgG= -2.226456 logG= -0.657493 TDE= -4.396293 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039688 tlogG= -0.614128 logG= -0.653816 Density= 3.419104 ETOT(band)= -1.559058 trlgG= -2.221753 logG= -0.653816 TDE= -4.394995 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039554 tlogG= -0.620194 logG= -0.659749 Density= 3.418358 ETOT(band)= -1.564381 trlgG= -2.231079 logG= -0.659749 TDE= -4.397770 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039368 tlogG= -0.623476 logG= -0.662844 Density= 3.417043 ETOT(band)= -1.567924 trlgG= -2.237859 logG= -0.662844 TDE= -4.400369 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039287 tlogG= -0.622955 logG= -0.662242 Density= 3.416691 ETOT(band)= -1.567914 trlgG= -2.237007 logG= -0.662242 TDE= -4.399826 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.039520 tlogG= -0.617768 logG= -0.657288 Density= 3.417884 ETOT(band)= -1.562896 trlgG= -2.228201 logG= -0.657288 TDE= -4.396962 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.040091 tlogG= -0.609626 logG= -0.649717 Density= 3.421187 ETOT(band)= -1.553542 trlgG= -2.215969 logG= -0.649717 TDE= -4.395032 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039981 tlogG= -0.610417 logG= -0.650398 Density= 3.420687 ETOT(band)= -1.554697 trlgG= -2.216862 logG= -0.650398 TDE= -4.394831 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039335 tlogG= -0.622632 logG= -0.661968 Density= 3.416690 ETOT(band)= -1.567618 trlgG= -2.237124 logG= -0.661968 TDE= -4.400217 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039331 tlogG= -0.627015 logG= -0.666346 Density= 3.416332 ETOT(band)= -1.570951 trlgG= -2.246223 logG= -0.666346 TDE= -4.404642 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039734 tlogG= -0.615650 logG= -0.655384 Density= 3.418941 ETOT(band)= -1.560171 trlgG= -2.225516 logG= -0.655384 TDE= -4.397055 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039688 tlogG= -0.617065 logG= -0.656754 Density= 3.418896 ETOT(band)= -1.561297 trlgG= -2.227049 logG= -0.656754 TDE= -4.397181 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039518 tlogG= -0.619568 logG= -0.659086 Density= 3.417520 ETOT(band)= -1.564449 trlgG= -2.231735 logG= -0.659086 TDE= -4.398396 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039464 tlogG= -0.622580 logG= -0.662045 Density= 3.417134 ETOT(band)= -1.566980 trlgG= -2.237837 logG= -0.662045 TDE= -4.401222 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.039390 tlogG= -0.625130 logG= -0.664520 Density= 3.416878 ETOT(band)= -1.569162 trlgG= -2.242122 logG= -0.664520 TDE= -4.402818 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.039850 tlogG= -0.612925 logG= -0.652775 Density= 3.419620 ETOT(band)= -1.557491 trlgG= -2.221463 logG= -0.652775 TDE= -4.396172 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039693 tlogG= -0.617437 logG= -0.657130 Density= 3.419153 ETOT(band)= -1.561509 trlgG= -2.226927 logG= -0.657130 TDE= -4.396895 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039415 tlogG= -0.623037 logG= -0.662452 Density= 3.417068 ETOT(band)= -1.567474 trlgG= -2.237916 logG= -0.662452 TDE= -4.400839 logGD-logG0= -0.039440 tlogG= -0.624657 logG= -0.664097 Density= 3.416937 ETOT(band)= -1.568650 trlgG= -2.242082 logG= -0.664097 TDE= -4.403251 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039567 tlogG= -0.617361 logG= -0.656929 Density= 3.417888 ETOT(band)= -1.562501 trlgG= -2.228091 logG= -0.656929 TDE= -4.397214 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039853 tlogG= -0.613378 logG= -0.653231 Density= 3.419981 ETOT(band)= -1.557627 trlgG= -2.221340 logG= -0.653231 TDE= -4.395891 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039581 tlogG= -0.619403 logG= -0.658984 Density= 3.418078 ETOT(band)= -1.563778 trlgG= -2.231023 logG= -0.658984 TDE= -4.398248 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039592 tlogG= -0.620208 logG= -0.659800 Density= 3.418681 ETOT(band)= -1.564060 trlgG= -2.230620 logG= -0.659800 TDE= -4.397527 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039916 tlogG= -0.612777 logG= -0.652693 logGD-logG0= -0.039485 tlogG= -0.621999 logG= -0.661484 Density= 3.420170 ETOT(band)= -1.556879 trlgG= -2.220929 logG= -0.652693 TDE= -4.396175 Density= 3.417541 ETOT(band)= -1.566204 trlgG= -2.235999 logG= -0.661484 TDE= -4.400280 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039791 tlogG= -0.613963 logG= -0.653754 Density= 3.419813 ETOT(band)= -1.558342 trlgG= -2.221062 logG= -0.653754 TDE= -4.394951 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039468 tlogG= -0.620009 logG= -0.659477 Density= 3.417485 ETOT(band)= -1.564905 trlgG= -2.232124 logG= -0.659477 TDE= -4.398365 logGD-logG0= -0.039325 tlogG= -0.625263 logG= -0.664588 Density= 3.416408 ETOT(band)= -1.569699 trlgG= -2.242728 logG= -0.664588 TDE= -4.402968 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039657 tlogG= -0.620404 logG= -0.660061 Density= 3.419305 ETOT(band)= -1.563843 trlgG= -2.230269 logG= -0.660061 TDE= -4.397432 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039869 tlogG= -0.611134 logG= -0.651003 Density= 3.420211 ETOT(band)= -1.555751 trlgG= -2.216836 logG= -0.651003 TDE= -4.393805 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 Sum of eigenvalues= -1021.47653739069 eV TrLogG= -1458.21942156794 eV Ratio to renormalize= 0.999597986397 rho-rho_expected= 0.065956746427 nargs= 1 argi=dmft2.def 21) Finished k-point number 22 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 20) Finished k-point number 21 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 1) Finished k-point number 2 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 15) Finished k-point number 16 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 24) Finished k-point number 25 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800811550524539 0.802377784358790 0.802867025348702 0.800380811568089 0.802919439642636 0.802821479587573 0.801105566703693 0.802242527413681 0.802966137719931 0.801015219418989 0.802452822467389 0.802866088005112 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039346 tlogG= -0.625574 logG= -0.664919 Density= 3.416843 ETOT(band)= -1.569616 trlgG= -2.241550 logG= -0.664919 TDE= -4.401819 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039687 tlogG= -0.614126 logG= -0.653814 Density= 3.419100 ETOT(band)= -1.559052 trlgG= -2.221744 logG= -0.653814 TDE= -4.394984 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039417 tlogG= -0.620407 logG= -0.659824 Density= 3.417462 ETOT(band)= -1.565297 trlgG= -2.232121 logG= -0.659824 TDE= -4.397997 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039367 tlogG= -0.623475 logG= -0.662841 Density= 3.417039 ETOT(band)= -1.567918 trlgG= -2.237851 logG= -0.662841 TDE= -4.400360 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039535 tlogG= -0.620001 logG= -0.659536 Density= 3.418105 ETOT(band)= -1.564230 trlgG= -2.230955 logG= -0.659536 TDE= -4.397650 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039567 tlogG= -0.619817 logG= -0.659384 Density= 3.418198 ETOT(band)= -1.564106 trlgG= -2.231204 logG= -0.659384 TDE= -4.398128 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039790 tlogG= -0.613962 logG= -0.653752 Density= 3.419809 ETOT(band)= -1.558336 trlgG= -2.221052 logG= -0.653752 TDE= -4.394941 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039336 tlogG= -0.620881 logG= -0.660217 Density= 3.417194 ETOT(band)= -1.565992 trlgG= -2.232976 logG= -0.660217 TDE= -4.398236 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039395 tlogG= -0.620381 logG= -0.659776 Density= 3.416902 ETOT(band)= -1.565745 trlgG= -2.232776 logG= -0.659776 TDE= -4.398236 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.040090 tlogG= -0.609624 logG= -0.649714 Density= 3.421183 ETOT(band)= -1.553536 trlgG= -2.215960 logG= -0.649714 TDE= -4.395022 logGD-logG0= -0.039399 tlogG= -0.624762 logG= -0.664161 Density= 3.416587 ETOT(band)= -1.569076 trlgG= -2.242562 logG= -0.664161 TDE= -4.403376 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039517 tlogG= -0.622604 logG= -0.662120 Density= 3.418179 ETOT(band)= -1.566368 trlgG= -2.235133 logG= -0.662120 TDE= -4.399305 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039677 tlogG= -0.616165 logG= -0.655842 Density= 3.418822 ETOT(band)= -1.560762 trlgG= -2.225798 logG= -0.655842 TDE= -4.396780 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039655 tlogG= -0.620403 logG= -0.660058 Density= 3.419302 ETOT(band)= -1.563836 trlgG= -2.230261 logG= -0.660058 TDE= -4.397423 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039553 tlogG= -0.620193 logG= -0.659746 Density= 3.418354 ETOT(band)= -1.564375 trlgG= -2.231070 logG= -0.659746 TDE= -4.397761 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039388 tlogG= -0.622262 logG= -0.661650 Density= 3.416694 ETOT(band)= -1.567258 trlgG= -2.237212 logG= -0.661650 TDE= -4.400626 logGD-logG0= -0.039422 tlogG= -0.626420 logG= -0.665842 Density= 3.416625 ETOT(band)= -1.570149 trlgG= -2.245852 logG= -0.665842 TDE= -4.405017 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039249 tlogG= -0.625724 logG= -0.664972 Density= 3.416238 ETOT(band)= -1.570252 trlgG= -2.242287 logG= -0.664972 TDE= -4.402001 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039767 tlogG= -0.613540 logG= -0.653307 Density= 3.419359 ETOT(band)= -1.558284 trlgG= -2.221951 logG= -0.653307 TDE= -4.395912 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039467 tlogG= -0.618145 logG= -0.657613 Density= 3.417881 ETOT(band)= -1.563255 trlgG= -2.227973 logG= -0.657613 TDE= -4.396406 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039580 tlogG= -0.619402 logG= -0.658981 Density= 3.418074 ETOT(band)= -1.563772 trlgG= -2.231014 logG= -0.658981 TDE= -4.398238 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039498 tlogG= -0.622322 logG= -0.661820 Density= 3.417839 ETOT(band)= -1.566319 trlgG= -2.235658 logG= -0.661820 TDE= -4.399849 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039389 tlogG= -0.625128 logG= -0.664517 Density= 3.416874 ETOT(band)= -1.569156 trlgG= -2.242113 logG= -0.664517 TDE= -4.402809 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039463 tlogG= -0.622579 logG= -0.662042 Density= 3.417131 ETOT(band)= -1.566974 trlgG= -2.237829 logG= -0.662042 TDE= -4.401212 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.039691 tlogG= -0.617436 logG= -0.657127 Density= 3.419149 ETOT(band)= -1.561503 trlgG= -2.226917 logG= -0.657127 TDE= -4.396885 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039517 tlogG= -0.619567 logG= -0.659084 Density= 3.417516 ETOT(band)= -1.564443 trlgG= -2.231726 logG= -0.659084 TDE= -4.398386 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039414 tlogG= -0.623035 logG= -0.662449 Density= 3.417065 ETOT(band)= -1.567468 trlgG= -2.237908 logG= -0.662449 TDE= -4.400830 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039979 tlogG= -0.610416 logG= -0.650395 Density= 3.420683 ETOT(band)= -1.554691 trlgG= -2.216853 logG= -0.650395 TDE= -4.394821 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039334 tlogG= -0.622631 logG= -0.661965 Density= 3.416686 ETOT(band)= -1.567611 trlgG= -2.237116 logG= -0.661965 TDE= -4.400208 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039241 tlogG= -0.627569 logG= -0.666810 Density= 3.416067 ETOT(band)= -1.571677 trlgG= -2.245784 logG= -0.666810 TDE= -4.403520 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039286 tlogG= -0.622954 logG= -0.662240 Density= 3.416687 ETOT(band)= -1.567908 trlgG= -2.236999 logG= -0.662240 TDE= -4.399817 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.039329 tlogG= -0.627014 logG= -0.666343 Density= 3.416328 ETOT(band)= -1.570945 trlgG= -2.246214 logG= -0.666343 TDE= -4.404633 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039701 tlogG= -0.617790 logG= -0.657490 Density= 3.419430 ETOT(band)= -1.561677 trlgG= -2.226447 logG= -0.657490 TDE= -4.396283 logGD-logG0= -0.039851 tlogG= -0.613377 logG= -0.653228 Density= 3.419977 ETOT(band)= -1.557621 trlgG= -2.221330 logG= -0.653228 TDE= -4.395881 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039566 tlogG= -0.617360 logG= -0.656926 Density= 3.417884 ETOT(band)= -1.562495 trlgG= -2.228081 logG= -0.656926 TDE= -4.397204 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039849 tlogG= -0.612924 logG= -0.652773 Density= 3.419616 ETOT(band)= -1.557485 trlgG= -2.221453 logG= -0.652773 TDE= -4.396161 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039687 tlogG= -0.617064 logG= -0.656751 Density= 3.418892 ETOT(band)= -1.561291 trlgG= -2.227040 logG= -0.656751 TDE= -4.397171 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039467 tlogG= -0.620008 logG= -0.659474 Density= 3.417482 ETOT(band)= -1.564899 trlgG= -2.232115 logG= -0.659474 TDE= -4.398356 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039868 tlogG= -0.611133 logG= -0.651001 Density= 3.420207 ETOT(band)= -1.555745 trlgG= -2.216826 logG= -0.651001 TDE= -4.393795 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039323 tlogG= -0.625262 logG= -0.664585 Density= 3.416404 ETOT(band)= -1.569693 trlgG= -2.242719 logG= -0.664585 TDE= -4.402958 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039915 tlogG= -0.612776 logG= -0.652691 Density= 3.420166 ETOT(band)= -1.556873 trlgG= -2.220920 logG= -0.652691 TDE= -4.396164 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039484 tlogG= -0.621998 logG= -0.661481 Density= 3.417537 ETOT(band)= -1.566198 trlgG= -2.235990 logG= -0.661481 TDE= -4.400270 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039733 tlogG= -0.615649 logG= -0.655382 Density= 3.418937 ETOT(band)= -1.560165 trlgG= -2.225507 logG= -0.655382 TDE= -4.397044 logGD-logG0= -0.039362 tlogG= -0.620637 logG= -0.659999 Density= 3.417044 ETOT(band)= -1.565877 trlgG= -2.232811 logG= -0.659999 TDE= -4.398166 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039591 tlogG= -0.620207 logG= -0.659798 Density= 3.418678 ETOT(band)= -1.564054 trlgG= -2.230611 logG= -0.659798 TDE= -4.397518 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039518 tlogG= -0.617767 logG= -0.657285 Density= 3.417881 ETOT(band)= -1.562890 trlgG= -2.228192 logG= -0.657285 TDE= -4.396952 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039626 tlogG= -0.616676 logG= -0.656302 Density= 3.418738 ETOT(band)= -1.561336 trlgG= -2.225662 logG= -0.656302 TDE= -4.396114 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039438 tlogG= -0.624656 logG= -0.664094 Density= 3.416933 ETOT(band)= -1.568644 trlgG= -2.242073 logG= -0.664094 TDE= -4.403241 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1021.47252255765 eV TrLogG= -1458.21155205099 eV Ratio to renormalize= 0.999599090990 rho-rho_expected= 0.065775447580 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 9) Finished k-point number 10 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 7) Finished k-point number 8 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 0) Finished k-point number 1 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800650610976302 0.802138954133469 0.802679708482634 0.800219268827975 0.802682290176372 0.802634341385088 0.800945144172005 0.802004695273005 0.802777987019332 0.800857681626074 0.802211512765930 0.802679097907838 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039329 tlogG= -0.623499 logG= -0.662828 Density= 3.416917 ETOT(band)= -1.567680 trlgG= -2.237609 logG= -0.662828 TDE= -4.400030 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039529 tlogG= -0.619841 logG= -0.659370 Density= 3.418073 ETOT(band)= -1.563868 trlgG= -2.230949 logG= -0.659370 TDE= -4.397784 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039479 tlogG= -0.622626 logG= -0.662105 Density= 3.418060 ETOT(band)= -1.566125 trlgG= -2.234889 logG= -0.662105 TDE= -4.398978 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039351 tlogG= -0.625153 logG= -0.664505 Density= 3.416750 ETOT(band)= -1.568920 trlgG= -2.241860 logG= -0.664505 TDE= -4.402466 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039400 tlogG= -0.624682 logG= -0.664082 Density= 3.416808 ETOT(band)= -1.568410 trlgG= -2.241822 logG= -0.664082 TDE= -4.402898 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039379 tlogG= -0.620430 logG= -0.659809 Density= 3.417338 ETOT(band)= -1.565059 trlgG= -2.231875 logG= -0.659809 TDE= -4.397663 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039203 tlogG= -0.627595 logG= -0.666798 Density= 3.415943 ETOT(band)= -1.571442 trlgG= -2.245534 logG= -0.666798 TDE= -4.403180 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039460 tlogG= -0.622345 logG= -0.661805 Density= 3.417717 ETOT(band)= -1.566079 trlgG= -2.235401 logG= -0.661805 TDE= -4.399506 logGD-logG0= -0.039429 tlogG= -0.618168 logG= -0.657598 Density= 3.417756 ETOT(band)= -1.563017 trlgG= -2.227706 logG= -0.657598 TDE= -4.396051 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039361 tlogG= -0.624788 logG= -0.664150 Density= 3.416462 ETOT(band)= -1.568842 trlgG= -2.242311 logG= -0.664150 TDE= -4.403034 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039813 tlogG= -0.613401 logG= -0.653214 Density= 3.419845 ETOT(band)= -1.557388 trlgG= -2.221038 logG= -0.653214 TDE= -4.395495 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.040050 tlogG= -0.609651 logG= -0.649702 Density= 3.421044 ETOT(band)= -1.553310 trlgG= -2.215677 logG= -0.649702 TDE= -4.394636 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039425 tlogG= -0.622605 logG= -0.662030 Density= 3.417005 ETOT(band)= -1.566739 trlgG= -2.237578 logG= -0.662030 TDE= -4.400869 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.039308 tlogG= -0.625598 logG= -0.664906 Density= 3.416721 ETOT(band)= -1.569378 trlgG= -2.241305 logG= -0.664906 TDE= -4.401487 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039553 tlogG= -0.620228 logG= -0.659782 Density= 3.418557 ETOT(band)= -1.563811 trlgG= -2.230364 logG= -0.659782 TDE= -4.397187 logGD-logG0= -0.039497 tlogG= -0.620024 logG= -0.659520 Density= 3.417981 ETOT(band)= -1.563991 trlgG= -2.230704 logG= -0.659520 TDE= -4.397313 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039211 tlogG= -0.625748 logG= -0.664959 Density= 3.416115 ETOT(band)= -1.570015 trlgG= -2.242045 logG= -0.664959 TDE= -4.401671 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039618 tlogG= -0.620423 logG= -0.660041 Density= 3.419185 ETOT(band)= -1.563590 trlgG= -2.230019 logG= -0.660041 TDE= -4.397102 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039649 tlogG= -0.614151 logG= -0.653799 Density= 3.418970 ETOT(band)= -1.558818 trlgG= -2.221463 logG= -0.653799 TDE= -4.394610 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039515 tlogG= -0.620216 logG= -0.659731 Density= 3.418231 ETOT(band)= -1.564135 trlgG= -2.230817 logG= -0.659731 TDE= -4.397422 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039350 tlogG= -0.622287 logG= -0.661637 Density= 3.416570 ETOT(band)= -1.567021 trlgG= -2.236958 logG= -0.661637 TDE= -4.400283 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039291 tlogG= -0.627040 logG= -0.666332 Density= 3.416203 ETOT(band)= -1.570711 trlgG= -2.245963 logG= -0.666332 TDE= -4.404290 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.039653 tlogG= -0.617458 logG= -0.657112 Density= 3.419025 ETOT(band)= -1.561264 trlgG= -2.226640 logG= -0.657112 TDE= -4.396520 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039376 tlogG= -0.623060 logG= -0.662436 Density= 3.416940 ETOT(band)= -1.567232 trlgG= -2.237657 logG= -0.662436 TDE= -4.400490 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039298 tlogG= -0.620903 logG= -0.660202 Density= 3.417073 ETOT(band)= -1.565751 trlgG= -2.232741 logG= -0.660202 TDE= -4.397917 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=130 logGD-logG0= -0.039478 tlogG= -0.619592 logG= -0.659071 Density= 3.417389 ETOT(band)= -1.564209 trlgG= -2.231479 logG= -0.659071 TDE= -4.398047 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039639 tlogG= -0.616189 logG= -0.655828 Density= 3.418693 ETOT(band)= -1.560528 trlgG= -2.225507 logG= -0.655828 TDE= -4.396396 logGD-logG0= -0.039663 tlogG= -0.617811 logG= -0.657474 Density= 3.419308 ETOT(band)= -1.561435 trlgG= -2.226178 logG= -0.657474 TDE= -4.395930 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039541 tlogG= -0.619426 logG= -0.658968 Density= 3.417947 ETOT(band)= -1.563537 trlgG= -2.230753 logG= -0.658968 TDE= -4.397886 logGD-logG0= -0.039357 tlogG= -0.620405 logG= -0.659762 Density= 3.416778 ETOT(band)= -1.565507 trlgG= -2.232533 logG= -0.659762 TDE= -4.397905 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039729 tlogG= -0.613565 logG= -0.653293 Density= 3.419227 ETOT(band)= -1.558052 trlgG= -2.221661 logG= -0.653293 TDE= -4.395526 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039829 tlogG= -0.611158 logG= -0.650987 Density= 3.420071 ETOT(band)= -1.555515 trlgG= -2.216541 logG= -0.650987 TDE= -4.393411 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039587 tlogG= -0.616700 logG= -0.656287 Density= 3.418610 ETOT(band)= -1.561100 trlgG= -2.225384 logG= -0.656287 TDE= -4.395745 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039446 tlogG= -0.622022 logG= -0.661467 Density= 3.417413 ETOT(band)= -1.565961 trlgG= -2.235736 logG= -0.661467 TDE= -4.399927 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039940 tlogG= -0.610442 logG= -0.650382 Density= 3.420546 ETOT(band)= -1.554463 trlgG= -2.216567 logG= -0.650382 TDE= -4.394434 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039384 tlogG= -0.626447 logG= -0.665832 Density= 3.416499 ETOT(band)= -1.569916 trlgG= -2.245604 logG= -0.665832 TDE= -4.404675 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=119 logGD-logG0= -0.039249 tlogG= -0.622977 logG= -0.662225 Density= 3.416565 ETOT(band)= -1.567668 trlgG= -2.236763 logG= -0.662225 TDE= -4.399496 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039297 tlogG= -0.622655 logG= -0.661952 Density= 3.416563 ETOT(band)= -1.567373 trlgG= -2.236863 logG= -0.661952 TDE= -4.399868 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039649 tlogG= -0.617088 logG= -0.656737 Density= 3.418765 ETOT(band)= -1.561055 trlgG= -2.226765 logG= -0.656737 TDE= -4.396805 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039429 tlogG= -0.620032 logG= -0.659461 Density= 3.417356 ETOT(band)= -1.564663 trlgG= -2.231870 logG= -0.659461 TDE= -4.398021 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039694 tlogG= -0.615674 logG= -0.655369 Density= 3.418806 ETOT(band)= -1.559933 trlgG= -2.225217 logG= -0.655369 TDE= -4.396659 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039751 tlogG= -0.613985 logG= -0.653737 Density= 3.419680 ETOT(band)= -1.558101 trlgG= -2.220768 logG= -0.653737 TDE= -4.394564 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039876 tlogG= -0.612801 logG= -0.652677 Density= 3.420032 ETOT(band)= -1.556643 trlgG= -2.220631 logG= -0.652677 TDE= -4.395778 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039480 tlogG= -0.617791 logG= -0.657271 Density= 3.417755 ETOT(band)= -1.562653 trlgG= -2.227915 logG= -0.657271 TDE= -4.396586 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039810 tlogG= -0.612950 logG= -0.652760 Density= 3.419482 ETOT(band)= -1.557255 trlgG= -2.221165 logG= -0.652760 TDE= -4.395776 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039286 tlogG= -0.625287 logG= -0.664573 Density= 3.416280 ETOT(band)= -1.569457 trlgG= -2.242466 logG= -0.664573 TDE= -4.402615 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039324 tlogG= -0.620660 logG= -0.659984 Density= 3.416922 ETOT(band)= -1.565637 trlgG= -2.232567 logG= -0.659984 TDE= -4.397836 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039528 tlogG= -0.617385 logG= -0.656913 Density= 3.417757 ETOT(band)= -1.562260 trlgG= -2.227803 logG= -0.656913 TDE= -4.396834 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1021.31828791644 eV TrLogG= -1457.97302200906 eV Ratio to renormalize= 0.999635911111 rho-rho_expected= 0.059732325647 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 9) Finished k-point number 10 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 34) Finished k-point number 35 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 16) Finished k-point number 17 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800700976980690 0.802195485828613 0.802728220579074 0.800269372514945 0.802738822534275 0.802682755987443 0.800995213387771 0.802061004748455 0.802826602868247 0.800907383306124 0.802268193841748 0.802727717469375 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038922 tlogG= -0.624788 logG= -0.663710 Density= 3.416623 ETOT(band)= -1.568833 trlgG= -2.241834 logG= -0.663710 TDE= -4.403130 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039475 tlogG= -0.610448 logG= -0.649923 Density= 3.420680 ETOT(band)= -1.554454 trlgG= -2.216104 logG= -0.649923 TDE= -4.394541 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039031 tlogG= -0.619594 logG= -0.658625 Density= 3.417527 ETOT(band)= -1.564212 trlgG= -2.231014 logG= -0.658625 TDE= -4.398143 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038959 tlogG= -0.624682 logG= -0.663641 Density= 3.416964 ETOT(band)= -1.568403 trlgG= -2.241347 logG= -0.663641 TDE= -4.402995 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039270 tlogG= -0.613569 logG= -0.652839 Density= 3.419353 ETOT(band)= -1.558054 trlgG= -2.221209 logG= -0.652839 TDE= -4.395633 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039060 tlogG= -0.620220 logG= -0.659280 Density= 3.418346 ETOT(band)= -1.564147 trlgG= -2.230366 logG= -0.659280 TDE= -4.397517 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039076 tlogG= -0.619844 logG= -0.658920 Density= 3.418197 ETOT(band)= -1.563877 trlgG= -2.230493 logG= -0.658920 TDE= -4.397880 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038947 tlogG= -0.626446 logG= -0.665393 Density= 3.416669 ETOT(band)= -1.569903 trlgG= -2.245120 logG= -0.665393 TDE= -4.404771 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039419 tlogG= -0.612806 logG= -0.652225 Density= 3.420183 ETOT(band)= -1.556629 trlgG= -2.220161 logG= -0.652225 TDE= -4.395885 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039183 tlogG= -0.616193 logG= -0.655376 Density= 3.418815 ETOT(band)= -1.560535 trlgG= -2.225060 logG= -0.655376 TDE= -4.396502 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039010 tlogG= -0.622348 logG= -0.661358 Density= 3.417847 ETOT(band)= -1.566085 trlgG= -2.234943 logG= -0.661358 TDE= -4.399603 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039026 tlogG= -0.622629 logG= -0.661656 Density= 3.418183 ETOT(band)= -1.566132 trlgG= -2.234429 logG= -0.661656 TDE= -4.399069 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038907 tlogG= -0.622288 logG= -0.661195 Density= 3.416714 ETOT(band)= -1.567022 trlgG= -2.236493 logG= -0.661195 TDE= -4.400380 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038928 tlogG= -0.620432 logG= -0.659360 Density= 3.417467 ETOT(band)= -1.565062 trlgG= -2.231413 logG= -0.659360 TDE= -4.397757 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038861 tlogG= -0.625599 logG= -0.664460 Density= 3.416862 ETOT(band)= -1.569375 trlgG= -2.240836 logG= -0.664460 TDE= -4.401580 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039099 tlogG= -0.620233 logG= -0.659331 Density= 3.418674 ETOT(band)= -1.563823 trlgG= -2.229910 logG= -0.659331 TDE= -4.397280 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038851 tlogG= -0.627039 logG= -0.665890 Density= 3.416364 ETOT(band)= -1.570701 trlgG= -2.245485 logG= -0.665890 TDE= -4.404387 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038851 tlogG= -0.620905 logG= -0.659755 Density= 3.417210 ETOT(band)= -1.565749 trlgG= -2.232270 logG= -0.659755 TDE= -4.398006 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039186 tlogG= -0.614156 logG= -0.653342 Density= 3.419076 ETOT(band)= -1.558830 trlgG= -2.221021 logG= -0.653342 TDE= -4.394713 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038880 tlogG= -0.623500 logG= -0.662380 Density= 3.417052 ETOT(band)= -1.567680 trlgG= -2.237142 logG= -0.662380 TDE= -4.400122 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039355 tlogG= -0.612954 logG= -0.652309 Density= 3.419629 ETOT(band)= -1.557245 trlgG= -2.220700 logG= -0.652309 TDE= -4.395883 logGD-logG0= -0.039359 tlogG= -0.611165 logG= -0.650524 Density= 3.420171 ETOT(band)= -1.555526 trlgG= -2.216102 logG= -0.650524 TDE= -4.393518 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038976 tlogG= -0.618171 logG= -0.657147 Density= 3.417880 ETOT(band)= -1.563021 trlgG= -2.227252 logG= -0.657147 TDE= -4.396150 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038760 tlogG= -0.627595 logG= -0.666355 Density= 3.416096 ETOT(band)= -1.571432 trlgG= -2.245060 logG= -0.666355 TDE= -4.403275 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.039161 tlogG= -0.620428 logG= -0.659589 Density= 3.419296 ETOT(band)= -1.563604 trlgG= -2.229565 logG= -0.659589 TDE= -4.397192 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.039128 tlogG= -0.616704 logG= -0.655833 Density= 3.418717 ETOT(band)= -1.561113 trlgG= -2.224942 logG= -0.655833 TDE= -4.395847 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038907 tlogG= -0.625154 logG= -0.664061 Density= 3.416898 ETOT(band)= -1.568916 trlgG= -2.241390 logG= -0.664061 TDE= -4.402562 logGD-logG0= -0.038911 tlogG= -0.620407 logG= -0.659317 Density= 3.416908 ETOT(band)= -1.565517 trlgG= -2.232075 logG= -0.659317 TDE= -4.397999 logGD-logG0= -0.039195 tlogG= -0.617463 logG= -0.656659 Density= 3.419140 ETOT(band)= -1.561275 trlgG= -2.226194 logG= -0.656659 TDE= -4.396622 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038877 tlogG= -0.620661 logG= -0.659538 Density= 3.417055 ETOT(band)= -1.565641 trlgG= -2.232104 logG= -0.659538 TDE= -4.397929 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039029 tlogG= -0.617793 logG= -0.656822 Density= 3.417884 ETOT(band)= -1.562658 trlgG= -2.227462 logG= -0.656822 TDE= -4.396688 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038998 tlogG= -0.622024 logG= -0.661022 Density= 3.417550 ETOT(band)= -1.565964 trlgG= -2.235273 logG= -0.661022 TDE= -4.400024 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039285 tlogG= -0.613992 logG= -0.653277 Density= 3.419776 ETOT(band)= -1.558118 trlgG= -2.220333 logG= -0.653277 TDE= -4.394669 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038981 tlogG= -0.622606 logG= -0.661587 Density= 3.417153 ETOT(band)= -1.566738 trlgG= -2.237108 logG= -0.661587 TDE= -4.400966 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039351 tlogG= -0.613407 logG= -0.652758 Density= 3.419967 ETOT(band)= -1.557391 trlgG= -2.220589 logG= -0.652758 TDE= -4.395602 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038929 tlogG= -0.623061 logG= -0.661991 Density= 3.417082 ETOT(band)= -1.567231 trlgG= -2.237191 logG= -0.661991 TDE= -4.400585 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038844 tlogG= -0.625287 logG= -0.664131 Density= 3.416436 ETOT(band)= -1.569449 trlgG= -2.241992 logG= -0.664131 TDE= -4.402712 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039591 tlogG= -0.609656 logG= -0.649248 Density= 3.421218 ETOT(band)= -1.553276 trlgG= -2.215185 logG= -0.649248 TDE= -4.394743 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039241 tlogG= -0.615678 logG= -0.654919 Density= 3.418944 ETOT(band)= -1.559932 trlgG= -2.224760 logG= -0.654919 TDE= -4.396766 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039078 tlogG= -0.617387 logG= -0.656466 Density= 3.417889 ETOT(band)= -1.562265 trlgG= -2.227350 logG= -0.656466 TDE= -4.396937 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039091 tlogG= -0.619429 logG= -0.658520 Density= 3.418081 ETOT(band)= -1.563541 trlgG= -2.230293 logG= -0.658520 TDE= -4.397984 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039202 tlogG= -0.617817 logG= -0.657019 Density= 3.419409 ETOT(band)= -1.561454 trlgG= -2.225738 logG= -0.657019 TDE= -4.396028 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039044 tlogG= -0.620028 logG= -0.659072 Density= 3.418106 ETOT(band)= -1.563999 trlgG= -2.230247 logG= -0.659072 TDE= -4.397407 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039194 tlogG= -0.617092 logG= -0.656286 Density= 3.418895 ETOT(band)= -1.561058 trlgG= -2.226309 logG= -0.656286 TDE= -4.396907 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038803 tlogG= -0.622977 logG= -0.661780 Density= 3.416710 ETOT(band)= -1.567662 trlgG= -2.236288 logG= -0.661780 TDE= -4.399586 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038767 tlogG= -0.625748 logG= -0.664515 Density= 3.416266 ETOT(band)= -1.570006 trlgG= -2.241568 logG= -0.664515 TDE= -4.401764 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038852 tlogG= -0.622656 logG= -0.661508 Density= 3.416707 ETOT(band)= -1.567371 trlgG= -2.236396 logG= -0.661508 TDE= -4.399963 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038980 tlogG= -0.620034 logG= -0.659014 Density= 3.417490 ETOT(band)= -1.564666 trlgG= -2.231406 logG= -0.659014 TDE= -4.398115 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 Sum of eigenvalues= -1021.31910902754 eV TrLogG= -1457.74412583574 eV Ratio to renormalize= 0.999596745401 rho-rho_expected= 0.066160433663 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 34) Finished k-point number 35 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 21) Finished k-point number 22 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 25) Finished k-point number 26 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800708795076195 0.802215905293639 0.802740771279168 0.800277194106567 0.802759003537023 0.802695457745038 0.801003001769326 0.802081376631104 0.802839266225711 0.800914558113468 0.802289318066781 0.802740120906504 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039011 tlogG= -0.622345 logG= -0.661357 Density= 3.417852 ETOT(band)= -1.566101 trlgG= -2.234958 logG= -0.661357 TDE= -4.399624 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038863 tlogG= -0.625596 logG= -0.664459 Density= 3.416868 ETOT(band)= -1.569391 trlgG= -2.240851 logG= -0.664459 TDE= -4.401601 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039078 tlogG= -0.619841 logG= -0.658919 Density= 3.418203 ETOT(band)= -1.563893 trlgG= -2.230508 logG= -0.658919 TDE= -4.397901 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038762 tlogG= -0.627592 logG= -0.666354 Density= 3.416102 ETOT(band)= -1.571448 trlgG= -2.245075 logG= -0.666354 TDE= -4.403296 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=126 logGD-logG0= -0.038948 tlogG= -0.626443 logG= -0.665392 Density= 3.416675 ETOT(band)= -1.569918 trlgG= -2.245135 logG= -0.665392 TDE= -4.404792 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039353 tlogG= -0.613404 logG= -0.652757 Density= 3.419974 ETOT(band)= -1.557406 trlgG= -2.220607 logG= -0.652757 TDE= -4.395626 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039028 tlogG= -0.622627 logG= -0.661655 Density= 3.418189 ETOT(band)= -1.566148 trlgG= -2.234444 logG= -0.661655 TDE= -4.399090 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038909 tlogG= -0.622285 logG= -0.661194 Density= 3.416720 ETOT(band)= -1.567038 trlgG= -2.236508 logG= -0.661194 TDE= -4.400401 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039184 tlogG= -0.616190 logG= -0.655375 Density= 3.418821 ETOT(band)= -1.560550 trlgG= -2.225078 logG= -0.655375 TDE= -4.396527 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039188 tlogG= -0.614153 logG= -0.653341 Density= 3.419082 ETOT(band)= -1.558846 trlgG= -2.221039 logG= -0.653341 TDE= -4.394737 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038912 tlogG= -0.620404 logG= -0.659316 Density= 3.416914 ETOT(band)= -1.565532 trlgG= -2.232089 logG= -0.659316 TDE= -4.398019 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039272 tlogG= -0.613566 logG= -0.652838 Density= 3.419360 ETOT(band)= -1.558069 trlgG= -2.221227 logG= -0.652838 TDE= -4.395658 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039093 tlogG= -0.619426 logG= -0.658519 Density= 3.418088 ETOT(band)= -1.563556 trlgG= -2.230308 logG= -0.658519 TDE= -4.398006 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039062 tlogG= -0.620217 logG= -0.659279 Density= 3.418352 ETOT(band)= -1.564163 trlgG= -2.230381 logG= -0.659279 TDE= -4.397538 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038852 tlogG= -0.620902 logG= -0.659754 Density= 3.417216 ETOT(band)= -1.565766 trlgG= -2.232284 logG= -0.659754 TDE= -4.398026 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039080 tlogG= -0.617384 logG= -0.656464 Density= 3.417896 ETOT(band)= -1.562281 trlgG= -2.227366 logG= -0.656464 TDE= -4.396960 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039130 tlogG= -0.616702 logG= -0.655831 Density= 3.418724 ETOT(band)= -1.561129 trlgG= -2.224960 logG= -0.655831 TDE= -4.395871 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038924 tlogG= -0.624785 logG= -0.663709 Density= 3.416629 ETOT(band)= -1.568849 trlgG= -2.241849 logG= -0.663709 TDE= -4.403151 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038982 tlogG= -0.620031 logG= -0.659012 Density= 3.417496 ETOT(band)= -1.564682 trlgG= -2.231421 logG= -0.659012 TDE= -4.398136 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038769 tlogG= -0.625746 logG= -0.664514 Density= 3.416272 ETOT(band)= -1.570022 trlgG= -2.241583 logG= -0.664514 TDE= -4.401784 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038983 tlogG= -0.622603 logG= -0.661585 Density= 3.417159 ETOT(band)= -1.566753 trlgG= -2.237123 logG= -0.661585 TDE= -4.400987 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038930 tlogG= -0.620430 logG= -0.659359 Density= 3.417473 ETOT(band)= -1.565078 trlgG= -2.231428 logG= -0.659359 TDE= -4.397777 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038978 tlogG= -0.618168 logG= -0.657146 Density= 3.417886 ETOT(band)= -1.563037 trlgG= -2.227268 logG= -0.657146 TDE= -4.396172 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039357 tlogG= -0.612951 logG= -0.652307 Density= 3.419636 ETOT(band)= -1.557260 trlgG= -2.220717 logG= -0.652307 TDE= -4.395907 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038908 tlogG= -0.625151 logG= -0.664060 Density= 3.416904 ETOT(band)= -1.568932 trlgG= -2.241405 logG= -0.664060 TDE= -4.402584 logGD-logG0= -0.039163 tlogG= -0.620426 logG= -0.659588 Density= 3.419301 ETOT(band)= -1.563621 trlgG= -2.229580 logG= -0.659588 TDE= -4.397212 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038879 tlogG= -0.620658 logG= -0.659537 Density= 3.417061 ETOT(band)= -1.565657 trlgG= -2.232119 logG= -0.659537 TDE= -4.397949 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038853 tlogG= -0.627037 logG= -0.665889 Density= 3.416370 ETOT(band)= -1.570716 trlgG= -2.245500 logG= -0.665889 TDE= -4.404408 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039421 tlogG= -0.612803 logG= -0.652224 Density= 3.420190 ETOT(band)= -1.556644 trlgG= -2.220179 logG= -0.652224 TDE= -4.395910 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039361 tlogG= -0.611162 logG= -0.650523 Density= 3.420178 ETOT(band)= -1.555541 trlgG= -2.216119 logG= -0.650523 TDE= -4.393542 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039046 tlogG= -0.620025 logG= -0.659071 Density= 3.418112 ETOT(band)= -1.564015 trlgG= -2.230262 logG= -0.659071 TDE= -4.397428 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038882 tlogG= -0.623498 logG= -0.662380 Density= 3.417058 ETOT(band)= -1.567696 trlgG= -2.237157 logG= -0.662380 TDE= -4.400143 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038960 tlogG= -0.624679 logG= -0.663640 Density= 3.416970 ETOT(band)= -1.568419 trlgG= -2.241362 logG= -0.663640 TDE= -4.403016 logGD-logG0= -0.039204 tlogG= -0.617814 logG= -0.657018 Density= 3.419415 ETOT(band)= -1.561470 trlgG= -2.225755 logG= -0.657018 TDE= -4.396050 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039197 tlogG= -0.617461 logG= -0.656658 Density= 3.419146 ETOT(band)= -1.561291 trlgG= -2.226211 logG= -0.656658 TDE= -4.396645 logGD-logG0= -0.039243 tlogG= -0.615675 logG= -0.654918 Density= 3.418951 ETOT(band)= -1.559948 trlgG= -2.224778 logG= -0.654918 TDE= -4.396791 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039033 tlogG= -0.619591 logG= -0.658624 Density= 3.417534 ETOT(band)= -1.564228 trlgG= -2.231029 logG= -0.658624 TDE= -4.398163 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039287 tlogG= -0.613989 logG= -0.653276 Density= 3.419783 ETOT(band)= -1.558134 trlgG= -2.220350 logG= -0.653276 TDE= -4.394693 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038931 tlogG= -0.623059 logG= -0.661990 Density= 3.417088 ETOT(band)= -1.567247 trlgG= -2.237206 logG= -0.661990 TDE= -4.400606 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039593 tlogG= -0.609653 logG= -0.649246 Density= 3.421226 ETOT(band)= -1.553291 trlgG= -2.215202 logG= -0.649246 TDE= -4.394768 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038854 tlogG= -0.622653 logG= -0.661507 Density= 3.416713 ETOT(band)= -1.567387 trlgG= -2.236411 logG= -0.661507 TDE= -4.399984 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039477 tlogG= -0.610445 logG= -0.649922 Density= 3.420687 ETOT(band)= -1.554468 trlgG= -2.216122 logG= -0.649922 TDE= -4.394566 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038845 tlogG= -0.625284 logG= -0.664130 Density= 3.416442 ETOT(band)= -1.569465 trlgG= -2.242007 logG= -0.664130 TDE= -4.402733 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039100 tlogG= -0.620230 logG= -0.659330 Density= 3.418680 ETOT(band)= -1.563839 trlgG= -2.229924 logG= -0.659330 TDE= -4.397301 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039196 tlogG= -0.617089 logG= -0.656285 Density= 3.418902 ETOT(band)= -1.561074 trlgG= -2.226325 logG= -0.656285 TDE= -4.396930 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039031 tlogG= -0.617790 logG= -0.656821 Density= 3.417890 ETOT(band)= -1.562674 trlgG= -2.227479 logG= -0.656821 TDE= -4.396711 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038999 tlogG= -0.622021 logG= -0.661021 Density= 3.417556 ETOT(band)= -1.565980 trlgG= -2.235288 logG= -0.661021 TDE= -4.400045 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038804 tlogG= -0.622975 logG= -0.661779 Density= 3.416716 ETOT(band)= -1.567678 trlgG= -2.236302 logG= -0.661779 TDE= -4.399606 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 Sum of eigenvalues= -1021.32936340261 eV TrLogG= -1457.75778788875 eV Ratio to renormalize= 0.999594929261 rho-rho_expected= 0.066458521626 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 11) Finished k-point number 12 1 with #bands= 107 36) Finished k-point number 37 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 12) Finished k-point number 13 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 25) Finished k-point number 26 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 47) Finished k-point number 48 1 with #bands= 104 31) Finished k-point number 32 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800749229535010 0.802211520423775 0.802765244212740 0.800318680502010 0.802753832218109 0.802719485787473 0.801043540862994 0.802076646770706 0.802863302840904 0.800955957456163 0.802283542893555 0.802764904297027 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038771 tlogG= -0.627596 logG= -0.666367 Density= 3.416133 ETOT(band)= -1.571478 trlgG= -2.245118 logG= -0.666367 TDE= -4.403351 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=126 logGD-logG0= -0.038892 tlogG= -0.623502 logG= -0.662394 Density= 3.417089 ETOT(band)= -1.567727 trlgG= -2.237199 logG= -0.662394 TDE= -4.400196 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038918 tlogG= -0.625156 logG= -0.664074 Density= 3.416935 ETOT(band)= -1.568962 trlgG= -2.241450 logG= -0.664074 TDE= -4.402640 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038918 tlogG= -0.622290 logG= -0.661208 Density= 3.416751 ETOT(band)= -1.567070 trlgG= -2.236555 logG= -0.661208 TDE= -4.400458 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039021 tlogG= -0.622350 logG= -0.661372 Density= 3.417882 ETOT(band)= -1.566132 trlgG= -2.235005 logG= -0.661372 TDE= -4.399680 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038958 tlogG= -0.626447 logG= -0.665405 Density= 3.416706 ETOT(band)= -1.569948 trlgG= -2.245179 logG= -0.665405 TDE= -4.404848 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038993 tlogG= -0.622607 logG= -0.661600 Density= 3.417190 ETOT(band)= -1.566784 trlgG= -2.237169 logG= -0.661600 TDE= -4.401044 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.039370 tlogG= -0.611168 logG= -0.650539 Density= 3.420208 ETOT(band)= -1.555574 trlgG= -2.216168 logG= -0.650539 TDE= -4.393600 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039194 tlogG= -0.616196 logG= -0.655390 Density= 3.418851 ETOT(band)= -1.560583 trlgG= -2.225126 logG= -0.655390 TDE= -4.396583 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038922 tlogG= -0.620410 logG= -0.659332 Density= 3.416944 ETOT(band)= -1.565565 trlgG= -2.232134 logG= -0.659332 TDE= -4.398074 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039038 tlogG= -0.622631 logG= -0.661669 Density= 3.418219 ETOT(band)= -1.566180 trlgG= -2.234486 logG= -0.661669 TDE= -4.399142 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038933 tlogG= -0.624789 logG= -0.663723 Density= 3.416660 ETOT(band)= -1.568880 trlgG= -2.241894 logG= -0.663723 TDE= -4.403208 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039055 tlogG= -0.620031 logG= -0.659086 Density= 3.418142 ETOT(band)= -1.564048 trlgG= -2.230308 logG= -0.659086 TDE= -4.397483 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038872 tlogG= -0.625600 logG= -0.664473 Density= 3.416899 ETOT(band)= -1.569422 trlgG= -2.240893 logG= -0.664473 TDE= -4.401654 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039297 tlogG= -0.613995 logG= -0.653292 Density= 3.419812 ETOT(band)= -1.558167 trlgG= -2.220397 logG= -0.653292 TDE= -4.394749 logGD-logG0= -0.039281 tlogG= -0.613572 logG= -0.652854 Density= 3.419390 ETOT(band)= -1.558102 trlgG= -2.221275 logG= -0.652854 TDE= -4.395715 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038939 tlogG= -0.620435 logG= -0.659374 Density= 3.417503 ETOT(band)= -1.565109 trlgG= -2.231471 logG= -0.659374 TDE= -4.397831 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039198 tlogG= -0.614159 logG= -0.653356 Density= 3.419112 ETOT(band)= -1.558878 trlgG= -2.221085 logG= -0.653356 TDE= -4.394793 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038970 tlogG= -0.624683 logG= -0.663653 Density= 3.417001 ETOT(band)= -1.568450 trlgG= -2.241407 logG= -0.663653 TDE= -4.403072 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039071 tlogG= -0.620222 logG= -0.659294 Density= 3.418382 ETOT(band)= -1.564195 trlgG= -2.230425 logG= -0.659294 TDE= -4.397592 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039140 tlogG= -0.616707 logG= -0.655847 Density= 3.418754 ETOT(band)= -1.561161 trlgG= -2.225005 logG= -0.655847 TDE= -4.395926 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038862 tlogG= -0.627040 logG= -0.665903 Density= 3.416401 ETOT(band)= -1.570746 trlgG= -2.245544 logG= -0.665903 TDE= -4.404464 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039110 tlogG= -0.620236 logG= -0.659346 Density= 3.418710 ETOT(band)= -1.563872 trlgG= -2.229969 logG= -0.659346 TDE= -4.397355 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039366 tlogG= -0.612957 logG= -0.652323 Density= 3.419666 ETOT(band)= -1.557293 trlgG= -2.220766 logG= -0.652323 TDE= -4.395965 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038855 tlogG= -0.625289 logG= -0.664144 Density= 3.416473 ETOT(band)= -1.569495 trlgG= -2.242052 logG= -0.664144 TDE= -4.402789 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039430 tlogG= -0.612809 logG= -0.652239 Density= 3.420219 ETOT(band)= -1.556677 trlgG= -2.220228 logG= -0.652239 TDE= -4.395967 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038862 tlogG= -0.620908 logG= -0.659770 Density= 3.417246 ETOT(band)= -1.565797 trlgG= -2.232325 logG= -0.659770 TDE= -4.398076 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039362 tlogG= -0.613410 logG= -0.652772 Density= 3.420003 ETOT(band)= -1.557439 trlgG= -2.220655 logG= -0.652772 TDE= -4.395684 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038889 tlogG= -0.620664 logG= -0.659553 Density= 3.417091 ETOT(band)= -1.565689 trlgG= -2.232163 logG= -0.659553 TDE= -4.398003 logGD-logG0= -0.039088 tlogG= -0.619846 logG= -0.658934 Density= 3.418233 ETOT(band)= -1.563924 trlgG= -2.230553 logG= -0.658934 TDE= -4.397956 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039040 tlogG= -0.617796 logG= -0.656837 Density= 3.417920 ETOT(band)= -1.562706 trlgG= -2.227527 logG= -0.656837 TDE= -4.396769 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039253 tlogG= -0.615680 logG= -0.654933 Density= 3.418981 ETOT(band)= -1.559980 trlgG= -2.224825 logG= -0.654933 TDE= -4.396848 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038988 tlogG= -0.618174 logG= -0.657162 Density= 3.417917 ETOT(band)= -1.563069 trlgG= -2.227313 logG= -0.657162 TDE= -4.396226 logGD-logG0= -0.039043 tlogG= -0.619596 logG= -0.658639 Density= 3.417564 ETOT(band)= -1.564259 trlgG= -2.231074 logG= -0.658639 TDE= -4.398219 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039172 tlogG= -0.620431 logG= -0.659604 Density= 3.419331 ETOT(band)= -1.563653 trlgG= -2.229621 logG= -0.659604 TDE= -4.397262 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038941 tlogG= -0.623063 logG= -0.662004 Density= 3.417118 ETOT(band)= -1.567278 trlgG= -2.237251 logG= -0.662004 TDE= -4.400662 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038864 tlogG= -0.622658 logG= -0.661522 Density= 3.416744 ETOT(band)= -1.567419 trlgG= -2.236457 logG= -0.661522 TDE= -4.400041 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039603 tlogG= -0.609659 logG= -0.649262 Density= 3.421255 ETOT(band)= -1.553324 trlgG= -2.215252 logG= -0.649262 TDE= -4.394825 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039207 tlogG= -0.617466 logG= -0.656673 Density= 3.419175 ETOT(band)= -1.561324 trlgG= -2.226259 logG= -0.656673 TDE= -4.396702 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038779 tlogG= -0.625750 logG= -0.664528 Density= 3.416303 ETOT(band)= -1.570052 trlgG= -2.241624 logG= -0.664528 TDE= -4.401837 logGD-logG0= -0.039090 tlogG= -0.617390 logG= -0.656480 Density= 3.417926 ETOT(band)= -1.562313 trlgG= -2.227415 logG= -0.656480 TDE= -4.397018 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039206 tlogG= -0.617095 logG= -0.656300 Density= 3.418931 ETOT(band)= -1.561106 trlgG= -2.226373 logG= -0.656300 TDE= -4.396987 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=117 logGD-logG0= -0.039009 tlogG= -0.622026 logG= -0.661035 Density= 3.417586 ETOT(band)= -1.566011 trlgG= -2.235335 logG= -0.661035 TDE= -4.400101 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038814 tlogG= -0.622980 logG= -0.661794 Density= 3.416747 ETOT(band)= -1.567709 trlgG= -2.236342 logG= -0.661794 TDE= -4.399656 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038991 tlogG= -0.620036 logG= -0.659028 Density= 3.417526 ETOT(band)= -1.564713 trlgG= -2.231465 logG= -0.659028 TDE= -4.398190 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039103 tlogG= -0.619431 logG= -0.658534 Density= 3.418118 ETOT(band)= -1.563588 trlgG= -2.230354 logG= -0.658534 TDE= -4.398062 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039213 tlogG= -0.617820 logG= -0.657033 Density= 3.419444 ETOT(band)= -1.561503 trlgG= -2.225799 logG= -0.657033 TDE= -4.396104 logGD-logG0= -0.039487 tlogG= -0.610451 logG= -0.649938 Density= 3.420717 ETOT(band)= -1.554502 trlgG= -2.216171 logG= -0.649938 TDE= -4.394624 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1021.35011768592 eV TrLogG= -1457.80372760703 eV Ratio to renormalize= 0.999586112149 rho-rho_expected= 0.067905712939 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 5) Finished k-point number 6 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 15) Finished k-point number 16 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 20) Finished k-point number 21 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 9) Finished k-point number 10 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 3) Finished k-point number 4 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800735556698156 0.802181507232329 0.802749771216997 0.800304953402579 0.802723988554836 0.802704121790968 0.801030040668718 0.802046555892379 0.802847816427356 0.800942659074861 0.802253331229516 0.802749473502308 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038859 tlogG= -0.620911 logG= -0.659770 Density= 3.417234 ETOT(band)= -1.565778 trlgG= -2.232308 logG= -0.659770 TDE= -4.398049 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038915 tlogG= -0.622294 logG= -0.661209 Density= 3.416739 ETOT(band)= -1.567051 trlgG= -2.236536 logG= -0.661209 TDE= -4.400429 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038936 tlogG= -0.620439 logG= -0.659374 Density= 3.417491 ETOT(band)= -1.565091 trlgG= -2.231453 logG= -0.659374 TDE= -4.397802 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038869 tlogG= -0.625604 logG= -0.664473 Density= 3.416886 ETOT(band)= -1.569403 trlgG= -2.240875 logG= -0.664473 TDE= -4.401625 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039599 tlogG= -0.609664 logG= -0.649262 Density= 3.421240 ETOT(band)= -1.553307 trlgG= -2.215229 logG= -0.649262 TDE= -4.394791 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038930 tlogG= -0.624793 logG= -0.663723 Density= 3.416648 ETOT(band)= -1.568861 trlgG= -2.241875 logG= -0.663723 TDE= -4.403178 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038860 tlogG= -0.622662 logG= -0.661522 Density= 3.416731 ETOT(band)= -1.567400 trlgG= -2.236438 logG= -0.661522 TDE= -4.400012 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039034 tlogG= -0.622635 logG= -0.661669 Density= 3.418207 ETOT(band)= -1.566161 trlgG= -2.234468 logG= -0.661669 TDE= -4.399114 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038919 tlogG= -0.620413 logG= -0.659332 Density= 3.416932 ETOT(band)= -1.565546 trlgG= -2.232116 logG= -0.659332 TDE= -4.398046 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039017 tlogG= -0.622354 logG= -0.661372 Density= 3.417870 ETOT(band)= -1.566113 trlgG= -2.234985 logG= -0.661372 TDE= -4.399651 logGD-logG0= -0.038954 tlogG= -0.626451 logG= -0.665405 Density= 3.416693 ETOT(band)= -1.569930 trlgG= -2.245161 logG= -0.665405 TDE= -4.404819 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039136 tlogG= -0.616711 logG= -0.655847 Density= 3.418741 ETOT(band)= -1.561143 trlgG= -2.224983 logG= -0.655847 TDE= -4.395893 logGD-logG0= -0.039084 tlogG= -0.619850 logG= -0.658934 Density= 3.418221 ETOT(band)= -1.563906 trlgG= -2.230534 logG= -0.658934 TDE= -4.397926 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038768 tlogG= -0.627600 logG= -0.666368 Density= 3.416120 ETOT(band)= -1.571459 trlgG= -2.245099 logG= -0.666368 TDE= -4.403322 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.039278 tlogG= -0.613576 logG= -0.652854 Density= 3.419376 ETOT(band)= -1.558084 trlgG= -2.221252 logG= -0.652854 TDE= -4.395681 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039203 tlogG= -0.617470 logG= -0.656673 Density= 3.419163 ETOT(band)= -1.561305 trlgG= -2.226238 logG= -0.656673 TDE= -4.396670 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039190 tlogG= -0.616200 logG= -0.655390 Density= 3.418838 ETOT(band)= -1.560565 trlgG= -2.225102 logG= -0.655390 TDE= -4.396549 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039039 tlogG= -0.619600 logG= -0.658640 Density= 3.417551 ETOT(band)= -1.564241 trlgG= -2.231056 logG= -0.658640 TDE= -4.398190 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039249 tlogG= -0.615684 logG= -0.654933 Density= 3.418968 ETOT(band)= -1.559962 trlgG= -2.224802 logG= -0.654933 TDE= -4.396813 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039005 tlogG= -0.622030 logG= -0.661035 Density= 3.417574 ETOT(band)= -1.565992 trlgG= -2.235316 logG= -0.661035 TDE= -4.400072 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039068 tlogG= -0.620226 logG= -0.659294 Density= 3.418369 ETOT(band)= -1.564176 trlgG= -2.230406 logG= -0.659294 TDE= -4.397563 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038885 tlogG= -0.620668 logG= -0.659553 Density= 3.417079 ETOT(band)= -1.565670 trlgG= -2.232145 logG= -0.659553 TDE= -4.397975 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038859 tlogG= -0.627044 logG= -0.665903 Density= 3.416389 ETOT(band)= -1.570727 trlgG= -2.245526 logG= -0.665903 TDE= -4.404434 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038888 tlogG= -0.623506 logG= -0.662394 Density= 3.417077 ETOT(band)= -1.567708 trlgG= -2.237181 logG= -0.662394 TDE= -4.400168 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038914 tlogG= -0.625160 logG= -0.664074 Density= 3.416922 ETOT(band)= -1.568944 trlgG= -2.241431 logG= -0.664074 TDE= -4.402611 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038984 tlogG= -0.618178 logG= -0.657162 Density= 3.417904 ETOT(band)= -1.563051 trlgG= -2.227292 logG= -0.657162 TDE= -4.396195 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039194 tlogG= -0.614163 logG= -0.653357 Density= 3.419099 ETOT(band)= -1.558860 trlgG= -2.221063 logG= -0.653357 TDE= -4.394759 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038937 tlogG= -0.623067 logG= -0.662004 Density= 3.417106 ETOT(band)= -1.567259 trlgG= -2.237232 logG= -0.662004 TDE= -4.400633 logGD-logG0= -0.038852 tlogG= -0.625293 logG= -0.664144 Density= 3.416460 ETOT(band)= -1.569476 trlgG= -2.242033 logG= -0.664144 TDE= -4.402760 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039359 tlogG= -0.613414 logG= -0.652773 Density= 3.419990 ETOT(band)= -1.557421 trlgG= -2.220632 logG= -0.652773 TDE= -4.395649 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039366 tlogG= -0.611172 logG= -0.650539 Density= 3.420194 ETOT(band)= -1.555557 trlgG= -2.216146 logG= -0.650539 TDE= -4.393565 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039169 tlogG= -0.620435 logG= -0.659603 Density= 3.419319 ETOT(band)= -1.563634 trlgG= -2.229604 logG= -0.659603 TDE= -4.397235 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038989 tlogG= -0.622611 logG= -0.661600 Density= 3.417177 ETOT(band)= -1.566766 trlgG= -2.237150 logG= -0.661600 TDE= -4.401014 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038775 tlogG= -0.625754 logG= -0.664529 Density= 3.416291 ETOT(band)= -1.570033 trlgG= -2.241606 logG= -0.664529 TDE= -4.401809 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038988 tlogG= -0.620040 logG= -0.659028 Density= 3.417514 ETOT(band)= -1.564695 trlgG= -2.231447 logG= -0.659028 TDE= -4.398162 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039106 tlogG= -0.620239 logG= -0.659345 Density= 3.418698 ETOT(band)= -1.563852 trlgG= -2.229951 logG= -0.659345 TDE= -4.397327 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039362 tlogG= -0.612961 logG= -0.652323 Density= 3.419652 ETOT(band)= -1.557276 trlgG= -2.220743 logG= -0.652323 TDE= -4.395930 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039210 tlogG= -0.617824 logG= -0.657033 Density= 3.419432 ETOT(band)= -1.561484 trlgG= -2.225779 logG= -0.657033 TDE= -4.396074 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039099 tlogG= -0.619435 logG= -0.658534 Density= 3.418105 ETOT(band)= -1.563570 trlgG= -2.230334 logG= -0.658534 TDE= -4.398031 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039052 tlogG= -0.620034 logG= -0.659086 Density= 3.418130 ETOT(band)= -1.564029 trlgG= -2.230289 logG= -0.659086 TDE= -4.397455 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038811 tlogG= -0.622984 logG= -0.661794 Density= 3.416735 ETOT(band)= -1.567690 trlgG= -2.236325 logG= -0.661794 TDE= -4.399629 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=119 logGD-logG0= -0.039037 tlogG= -0.617800 logG= -0.656837 Density= 3.417907 ETOT(band)= -1.562688 trlgG= -2.227506 logG= -0.656837 TDE= -4.396737 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038966 tlogG= -0.624688 logG= -0.663654 Density= 3.416989 ETOT(band)= -1.568431 trlgG= -2.241389 logG= -0.663654 TDE= -4.403043 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039202 tlogG= -0.617099 logG= -0.656301 Density= 3.418919 ETOT(band)= -1.561088 trlgG= -2.226352 logG= -0.656301 TDE= -4.396955 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039086 tlogG= -0.617394 logG= -0.656480 Density= 3.417913 ETOT(band)= -1.562295 trlgG= -2.227393 logG= -0.656480 TDE= -4.396986 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039483 tlogG= -0.610455 logG= -0.649938 Density= 3.420702 ETOT(band)= -1.554485 trlgG= -2.216149 logG= -0.649938 TDE= -4.394589 logGD-logG0= -0.039293 tlogG= -0.613999 logG= -0.653292 Density= 3.419799 ETOT(band)= -1.558149 trlgG= -2.220375 logG= -0.653292 TDE= -4.394715 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039426 tlogG= -0.612813 logG= -0.652239 Density= 3.420205 ETOT(band)= -1.556659 trlgG= -2.220205 logG= -0.652239 TDE= -4.395933 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 Sum of eigenvalues= -1021.33805497765 eV TrLogG= -1457.78399073176 eV Ratio to renormalize= 0.999589812253 rho-rho_expected= 0.067298395485 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 24) Finished k-point number 25 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 11) Finished k-point number 12 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800771924011040 0.802172175941956 0.802788437423681 0.800341493664359 0.802715177465366 0.802742363786865 0.801066125206832 0.802037774706750 0.802885954960511 0.800978490717945 0.802245231349418 0.802787713492866 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038858 tlogG= -0.625296 logG= -0.664155 Density= 3.416483 ETOT(band)= -1.569522 trlgG= -2.242090 logG= -0.664155 TDE= -4.402825 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039197 tlogG= -0.616205 logG= -0.655401 Density= 3.418859 ETOT(band)= -1.560612 trlgG= -2.225161 logG= -0.655401 TDE= -4.396614 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038875 tlogG= -0.625608 logG= -0.664483 Density= 3.416908 ETOT(band)= -1.569449 trlgG= -2.240930 logG= -0.664483 TDE= -4.401688 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038961 tlogG= -0.626454 logG= -0.665415 Density= 3.416717 ETOT(band)= -1.569974 trlgG= -2.245216 logG= -0.665415 TDE= -4.404884 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039074 tlogG= -0.620230 logG= -0.659305 Density= 3.418390 ETOT(band)= -1.564224 trlgG= -2.230463 logG= -0.659305 TDE= -4.397626 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038922 tlogG= -0.622298 logG= -0.661219 Density= 3.416761 ETOT(band)= -1.567097 trlgG= -2.236594 logG= -0.661219 TDE= -4.400495 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039105 tlogG= -0.619439 logG= -0.658545 Density= 3.418127 ETOT(band)= -1.563616 trlgG= -2.230392 logG= -0.658545 TDE= -4.398096 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038994 tlogG= -0.620044 logG= -0.659039 Density= 3.417535 ETOT(band)= -1.564742 trlgG= -2.231503 logG= -0.659039 TDE= -4.398225 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039369 tlogG= -0.612965 logG= -0.652334 Density= 3.419673 ETOT(band)= -1.557323 trlgG= -2.220802 logG= -0.652334 TDE= -4.395996 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038990 tlogG= -0.618183 logG= -0.657173 Density= 3.417925 ETOT(band)= -1.563099 trlgG= -2.227349 logG= -0.657173 TDE= -4.396259 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039200 tlogG= -0.614168 logG= -0.653368 Density= 3.419119 ETOT(band)= -1.558909 trlgG= -2.221122 logG= -0.653368 TDE= -4.394824 logGD-logG0= -0.038782 tlogG= -0.625758 logG= -0.664539 Density= 3.416313 ETOT(band)= -1.570079 trlgG= -2.241661 logG= -0.664539 TDE= -4.401871 logGD-logG0= -0.039041 tlogG= -0.622639 logG= -0.661680 Density= 3.418228 ETOT(band)= -1.566208 trlgG= -2.234523 logG= -0.661680 TDE= -4.399176 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.039208 tlogG= -0.617103 logG= -0.656311 Density= 3.418940 ETOT(band)= -1.561135 trlgG= -2.226411 logG= -0.656311 TDE= -4.397021 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039024 tlogG= -0.622358 logG= -0.661382 Density= 3.417892 ETOT(band)= -1.566160 trlgG= -2.235044 logG= -0.661382 TDE= -4.399716 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038921 tlogG= -0.625163 logG= -0.664084 Density= 3.416945 ETOT(band)= -1.568989 trlgG= -2.241488 logG= -0.664084 TDE= -4.402676 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038942 tlogG= -0.620443 logG= -0.659385 Density= 3.417512 ETOT(band)= -1.565138 trlgG= -2.231509 logG= -0.659385 TDE= -4.397865 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039210 tlogG= -0.617475 logG= -0.656684 Density= 3.419183 ETOT(band)= -1.561353 trlgG= -2.226297 logG= -0.656684 TDE= -4.396736 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038865 tlogG= -0.627048 logG= -0.665913 Density= 3.416411 ETOT(band)= -1.570773 trlgG= -2.245582 logG= -0.665913 TDE= -4.404499 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038774 tlogG= -0.627603 logG= -0.666378 Density= 3.416143 ETOT(band)= -1.571505 trlgG= -2.245156 logG= -0.666378 TDE= -4.403387 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038892 tlogG= -0.620672 logG= -0.659564 Density= 3.417100 ETOT(band)= -1.565717 trlgG= -2.232202 logG= -0.659564 TDE= -4.398038 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039284 tlogG= -0.613581 logG= -0.652865 Density= 3.419397 ETOT(band)= -1.558132 trlgG= -2.221312 logG= -0.652865 TDE= -4.395746 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038995 tlogG= -0.622615 logG= -0.661611 Density= 3.417200 ETOT(band)= -1.566811 trlgG= -2.237208 logG= -0.661611 TDE= -4.401080 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.038865 tlogG= -0.620916 logG= -0.659781 Density= 3.417255 ETOT(band)= -1.565826 trlgG= -2.232361 logG= -0.659781 TDE= -4.398109 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039142 tlogG= -0.616716 logG= -0.655858 Density= 3.418761 ETOT(band)= -1.561191 trlgG= -2.225041 logG= -0.655858 TDE= -4.395957 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038867 tlogG= -0.622666 logG= -0.661532 Density= 3.416753 ETOT(band)= -1.567446 trlgG= -2.236496 logG= -0.661532 TDE= -4.400077 logGD-logG0= -0.039091 tlogG= -0.619855 logG= -0.658945 Density= 3.418242 ETOT(band)= -1.563953 trlgG= -2.230591 logG= -0.658945 TDE= -4.397990 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038895 tlogG= -0.623510 logG= -0.662405 Density= 3.417098 ETOT(band)= -1.567755 trlgG= -2.237236 logG= -0.662405 TDE= -4.400230 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039012 tlogG= -0.622034 logG= -0.661046 Density= 3.417596 ETOT(band)= -1.566039 trlgG= -2.235373 logG= -0.661046 TDE= -4.400138 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039365 tlogG= -0.613419 logG= -0.652784 Density= 3.420010 ETOT(band)= -1.557470 trlgG= -2.220692 logG= -0.652784 TDE= -4.395715 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038817 tlogG= -0.622988 logG= -0.661805 Density= 3.416756 ETOT(band)= -1.567737 trlgG= -2.236378 logG= -0.661805 TDE= -4.399689 logGD-logG0= -0.039175 tlogG= -0.620439 logG= -0.659615 Density= 3.419339 ETOT(band)= -1.563682 trlgG= -2.229658 logG= -0.659615 TDE= -4.397296 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.039058 tlogG= -0.620039 logG= -0.659097 Density= 3.418151 ETOT(band)= -1.564076 trlgG= -2.230347 logG= -0.659097 TDE= -4.397520 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039256 tlogG= -0.615689 logG= -0.654944 Density= 3.418989 ETOT(band)= -1.560009 trlgG= -2.224861 logG= -0.654944 TDE= -4.396878 logGD-logG0= -0.039605 tlogG= -0.609668 logG= -0.649274 Density= 3.421260 ETOT(band)= -1.553356 trlgG= -2.215289 logG= -0.649274 TDE= -4.394856 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.039299 tlogG= -0.614004 logG= -0.653303 Density= 3.419819 ETOT(band)= -1.558197 trlgG= -2.220435 logG= -0.653303 TDE= -4.394779 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038925 tlogG= -0.620418 logG= -0.659343 Density= 3.416954 ETOT(band)= -1.565592 trlgG= -2.232172 logG= -0.659343 TDE= -4.398109 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038937 tlogG= -0.624797 logG= -0.663733 Density= 3.416670 ETOT(band)= -1.568906 trlgG= -2.241932 logG= -0.663733 TDE= -4.403244 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039373 tlogG= -0.611178 logG= -0.650550 Density= 3.420213 ETOT(band)= -1.555606 trlgG= -2.216207 logG= -0.650550 TDE= -4.393631 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039433 tlogG= -0.612818 logG= -0.652251 Density= 3.420226 ETOT(band)= -1.556707 trlgG= -2.220264 logG= -0.652251 TDE= -4.395998 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039113 tlogG= -0.620244 logG= -0.659356 Density= 3.418719 ETOT(band)= -1.563900 trlgG= -2.230008 logG= -0.659356 TDE= -4.397390 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038973 tlogG= -0.624691 logG= -0.663664 Density= 3.417011 ETOT(band)= -1.568476 trlgG= -2.241445 logG= -0.663664 TDE= -4.403108 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038944 tlogG= -0.623071 logG= -0.662015 Density= 3.417128 ETOT(band)= -1.567305 trlgG= -2.237289 logG= -0.662015 TDE= -4.400698 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039046 tlogG= -0.619604 logG= -0.658650 Density= 3.417573 ETOT(band)= -1.564287 trlgG= -2.231113 logG= -0.658650 TDE= -4.398254 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039043 tlogG= -0.617805 logG= -0.656848 Density= 3.417929 ETOT(band)= -1.562735 trlgG= -2.227565 logG= -0.656848 TDE= -4.396802 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039489 tlogG= -0.610460 logG= -0.649950 Density= 3.420722 ETOT(band)= -1.554534 trlgG= -2.216209 logG= -0.649950 TDE= -4.394655 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039093 tlogG= -0.617398 logG= -0.656491 Density= 3.417934 ETOT(band)= -1.562341 trlgG= -2.227452 logG= -0.656491 TDE= -4.397051 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039216 tlogG= -0.617828 logG= -0.657045 Density= 3.419452 ETOT(band)= -1.561532 trlgG= -2.225836 logG= -0.657045 TDE= -4.396137 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1021.36876828661 eV TrLogG= -1457.83300376844 eV Ratio to renormalize= 0.999583569303 rho-rho_expected= 0.068323086167 nargs= 1 argi=dmft2.def 15) Finished k-point number 16 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 47) Finished k-point number 48 1 with #bands= 104 30) Finished k-point number 31 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 28) Finished k-point number 29 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800771082139124 0.802167523903677 0.802789785382984 0.800340578003049 0.802710715393385 0.802743633048830 0.801065258056649 0.802033269066645 0.802887180363711 0.800977549007245 0.802240826620074 0.802788949577186 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038865 tlogG= -0.620915 logG= -0.659780 Density= 3.417254 ETOT(band)= -1.565824 trlgG= -2.232358 logG= -0.659780 TDE= -4.398107 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039369 tlogG= -0.612964 logG= -0.652333 Density= 3.419671 ETOT(band)= -1.557322 trlgG= -2.220799 logG= -0.652333 TDE= -4.395993 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039284 tlogG= -0.613580 logG= -0.652864 Density= 3.419395 ETOT(band)= -1.558131 trlgG= -2.221309 logG= -0.652864 TDE= -4.395743 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039200 tlogG= -0.614167 logG= -0.653367 Density= 3.419118 ETOT(band)= -1.558908 trlgG= -2.221119 logG= -0.653367 TDE= -4.394821 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038921 tlogG= -0.622297 logG= -0.661218 Density= 3.416760 ETOT(band)= -1.567095 trlgG= -2.236591 logG= -0.661218 TDE= -4.400493 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039024 tlogG= -0.622357 logG= -0.661381 Density= 3.417891 ETOT(band)= -1.566159 trlgG= -2.235041 logG= -0.661381 TDE= -4.399714 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038774 tlogG= -0.627602 logG= -0.666376 Density= 3.416142 ETOT(band)= -1.571503 trlgG= -2.245153 logG= -0.666376 TDE= -4.403385 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=126 logGD-logG0= -0.039196 tlogG= -0.616204 logG= -0.655400 Density= 3.418857 ETOT(band)= -1.560611 trlgG= -2.225158 logG= -0.655400 TDE= -4.396611 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038875 tlogG= -0.625607 logG= -0.664482 Density= 3.416907 ETOT(band)= -1.569448 trlgG= -2.240927 logG= -0.664482 TDE= -4.401686 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039142 tlogG= -0.616715 logG= -0.655857 Density= 3.418760 ETOT(band)= -1.561190 trlgG= -2.225038 logG= -0.655857 TDE= -4.395954 logGD-logG0= -0.039112 tlogG= -0.620242 logG= -0.659355 Density= 3.418718 ETOT(band)= -1.563899 trlgG= -2.230005 logG= -0.659355 TDE= -4.397388 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038990 tlogG= -0.618182 logG= -0.657172 Density= 3.417924 ETOT(band)= -1.563097 trlgG= -2.227346 logG= -0.657172 TDE= -4.396256 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039090 tlogG= -0.619853 logG= -0.658944 Density= 3.418241 ETOT(band)= -1.563952 trlgG= -2.230588 logG= -0.658944 TDE= -4.397988 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038891 tlogG= -0.620671 logG= -0.659562 Density= 3.417099 ETOT(band)= -1.565716 trlgG= -2.232199 logG= -0.659562 TDE= -4.398036 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038936 tlogG= -0.624795 logG= -0.663732 Density= 3.416669 ETOT(band)= -1.568905 trlgG= -2.241929 logG= -0.663732 TDE= -4.403242 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038961 tlogG= -0.626453 logG= -0.665414 Density= 3.416716 ETOT(band)= -1.569973 trlgG= -2.245214 logG= -0.665414 TDE= -4.404882 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039209 tlogG= -0.617474 logG= -0.656683 Density= 3.419182 ETOT(band)= -1.561352 trlgG= -2.226294 logG= -0.656683 TDE= -4.396733 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038865 tlogG= -0.627047 logG= -0.665912 Density= 3.416410 ETOT(band)= -1.570771 trlgG= -2.245579 logG= -0.665912 TDE= -4.404497 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.039255 tlogG= -0.615688 logG= -0.654943 Density= 3.418988 ETOT(band)= -1.560008 trlgG= -2.224857 logG= -0.654943 TDE= -4.396875 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038942 tlogG= -0.620442 logG= -0.659384 Density= 3.417511 ETOT(band)= -1.565136 trlgG= -2.231507 logG= -0.659384 TDE= -4.397863 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038894 tlogG= -0.623509 logG= -0.662403 Density= 3.417097 ETOT(band)= -1.567753 trlgG= -2.237233 logG= -0.662403 TDE= -4.400228 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038858 tlogG= -0.625295 logG= -0.664153 Density= 3.416482 ETOT(band)= -1.569520 trlgG= -2.242087 logG= -0.664153 TDE= -4.402823 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039372 tlogG= -0.611177 logG= -0.650549 Density= 3.420211 ETOT(band)= -1.555605 trlgG= -2.216204 logG= -0.650549 TDE= -4.393628 logGD-logG0= -0.038925 tlogG= -0.620416 logG= -0.659341 Density= 3.416953 ETOT(band)= -1.565591 trlgG= -2.232170 logG= -0.659341 TDE= -4.398107 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039012 tlogG= -0.622033 logG= -0.661044 Density= 3.417595 ETOT(band)= -1.566037 trlgG= -2.235371 logG= -0.661044 TDE= -4.400136 logGD-logG0= -0.038781 tlogG= -0.625756 logG= -0.664538 Density= 3.416312 ETOT(band)= -1.570078 trlgG= -2.241658 logG= -0.664538 TDE= -4.401869 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039040 tlogG= -0.622638 logG= -0.661679 Density= 3.418227 ETOT(band)= -1.566207 trlgG= -2.234521 logG= -0.661679 TDE= -4.399174 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038866 tlogG= -0.622665 logG= -0.661531 Density= 3.416752 ETOT(band)= -1.567445 trlgG= -2.236493 logG= -0.661531 TDE= -4.400075 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039105 tlogG= -0.619438 logG= -0.658543 Density= 3.418126 ETOT(band)= -1.563615 trlgG= -2.230389 logG= -0.658543 TDE= -4.398094 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038995 tlogG= -0.622614 logG= -0.661609 Density= 3.417198 ETOT(band)= -1.566810 trlgG= -2.237205 logG= -0.661609 TDE= -4.401078 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.038973 tlogG= -0.624690 logG= -0.663662 Density= 3.417010 ETOT(band)= -1.568475 trlgG= -2.241442 logG= -0.663662 TDE= -4.403106 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038921 tlogG= -0.625162 logG= -0.664083 Density= 3.416943 ETOT(band)= -1.568988 trlgG= -2.241485 logG= -0.664083 TDE= -4.402674 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039046 tlogG= -0.619603 logG= -0.658649 Density= 3.417572 ETOT(band)= -1.564286 trlgG= -2.231110 logG= -0.658649 TDE= -4.398252 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038994 tlogG= -0.620043 logG= -0.659037 Density= 3.417534 ETOT(band)= -1.564740 trlgG= -2.231501 logG= -0.659037 TDE= -4.398223 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039208 tlogG= -0.617102 logG= -0.656310 Density= 3.418939 ETOT(band)= -1.561134 trlgG= -2.226408 logG= -0.656310 TDE= -4.397018 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039605 tlogG= -0.609667 logG= -0.649272 Density= 3.421259 ETOT(band)= -1.553355 trlgG= -2.215286 logG= -0.649272 TDE= -4.394853 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039092 tlogG= -0.617397 logG= -0.656490 Density= 3.417933 ETOT(band)= -1.562340 trlgG= -2.227449 logG= -0.656490 TDE= -4.397049 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039365 tlogG= -0.613418 logG= -0.652782 Density= 3.420009 ETOT(band)= -1.557468 trlgG= -2.220689 logG= -0.652782 TDE= -4.395712 logGD-logG0= -0.039074 tlogG= -0.620229 logG= -0.659303 Density= 3.418389 ETOT(band)= -1.564222 trlgG= -2.230460 logG= -0.659303 TDE= -4.397623 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038943 tlogG= -0.623070 logG= -0.662013 Density= 3.417127 ETOT(band)= -1.567304 trlgG= -2.237287 logG= -0.662013 TDE= -4.400695 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039216 tlogG= -0.617827 logG= -0.657043 Density= 3.419451 ETOT(band)= -1.561531 trlgG= -2.225833 logG= -0.657043 TDE= -4.396134 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039175 tlogG= -0.620438 logG= -0.659613 Density= 3.419338 ETOT(band)= -1.563681 trlgG= -2.229656 logG= -0.659613 TDE= -4.397293 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.039432 tlogG= -0.612817 logG= -0.652249 Density= 3.420224 ETOT(band)= -1.556706 trlgG= -2.220261 logG= -0.652249 TDE= -4.395995 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039043 tlogG= -0.617804 logG= -0.656846 Density= 3.417927 ETOT(band)= -1.562734 trlgG= -2.227562 logG= -0.656846 TDE= -4.396800 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039058 tlogG= -0.620037 logG= -0.659095 Density= 3.418150 ETOT(band)= -1.564074 trlgG= -2.230344 logG= -0.659095 TDE= -4.397518 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039489 tlogG= -0.610459 logG= -0.649948 Density= 3.420721 ETOT(band)= -1.554533 trlgG= -2.216206 logG= -0.649948 TDE= -4.394652 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039299 tlogG= -0.614003 logG= -0.653302 Density= 3.419817 ETOT(band)= -1.558196 trlgG= -2.220431 logG= -0.653302 TDE= -4.394777 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038817 tlogG= -0.622987 logG= -0.661804 Density= 3.416755 ETOT(band)= -1.567735 trlgG= -2.236376 logG= -0.661804 TDE= -4.399687 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 Sum of eigenvalues= -1021.36791010260 eV TrLogG= -1457.83047526839 eV Ratio to renormalize= 0.999583927864 rho-rho_expected= 0.068264233145 nargs= 1 argi=dmft2.def 43) Finished k-point number 44 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 30) Finished k-point number 31 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 1) Finished k-point number 2 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 33) Finished k-point number 34 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 45) Finished k-point number 46 1 with #bands= 107 5) Finished k-point number 6 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800774394540500 0.802189500237799 0.802784821011249 0.800344283882687 0.802731841073554 0.802738945529492 0.801068711942359 0.802054592982643 0.802882708362875 0.800981264939899 0.802261707789432 0.802784436100151 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038922 tlogG= -0.625167 logG= -0.664090 Density= 3.416949 ETOT(band)= -1.568996 trlgG= -2.241500 logG= -0.664090 TDE= -4.402685 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038896 tlogG= -0.623514 logG= -0.662410 Density= 3.417102 ETOT(band)= -1.567761 trlgG= -2.237247 logG= -0.662410 TDE= -4.400239 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038974 tlogG= -0.624695 logG= -0.663669 Density= 3.417015 ETOT(band)= -1.568483 trlgG= -2.241457 logG= -0.663669 TDE= -4.403117 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039076 tlogG= -0.620234 logG= -0.659310 Density= 3.418395 ETOT(band)= -1.564230 trlgG= -2.230474 logG= -0.659310 TDE= -4.397635 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038963 tlogG= -0.626458 logG= -0.665421 Density= 3.416720 ETOT(band)= -1.569981 trlgG= -2.245228 logG= -0.665421 TDE= -4.404893 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038776 tlogG= -0.627607 logG= -0.666383 Density= 3.416147 ETOT(band)= -1.571511 trlgG= -2.245167 logG= -0.666383 TDE= -4.403396 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=126 logGD-logG0= -0.038923 tlogG= -0.622302 logG= -0.661225 Density= 3.416765 ETOT(band)= -1.567103 trlgG= -2.236605 logG= -0.661225 TDE= -4.400504 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038877 tlogG= -0.625612 logG= -0.664489 Density= 3.416912 ETOT(band)= -1.569455 trlgG= -2.240941 logG= -0.664489 TDE= -4.401697 logGD-logG0= -0.038783 tlogG= -0.625762 logG= -0.664545 Density= 3.416317 ETOT(band)= -1.570085 trlgG= -2.241672 logG= -0.664545 TDE= -4.401880 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039092 tlogG= -0.619859 logG= -0.658951 Density= 3.418246 ETOT(band)= -1.563959 trlgG= -2.230602 logG= -0.658951 TDE= -4.397999 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038938 tlogG= -0.624801 logG= -0.663738 Density= 3.416674 ETOT(band)= -1.568913 trlgG= -2.241943 logG= -0.663738 TDE= -4.403253 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039025 tlogG= -0.622362 logG= -0.661388 Density= 3.417896 ETOT(band)= -1.566166 trlgG= -2.235055 logG= -0.661388 TDE= -4.399725 logGD-logG0= -0.038992 tlogG= -0.618187 logG= -0.657178 Density= 3.417930 ETOT(band)= -1.563104 trlgG= -2.227361 logG= -0.657178 TDE= -4.396269 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038927 tlogG= -0.620422 logG= -0.659348 Density= 3.416958 ETOT(band)= -1.565598 trlgG= -2.232183 logG= -0.659348 TDE= -4.398118 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039114 tlogG= -0.620248 logG= -0.659362 Density= 3.418723 ETOT(band)= -1.563906 trlgG= -2.230018 logG= -0.659362 TDE= -4.397399 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038944 tlogG= -0.620447 logG= -0.659391 Density= 3.417517 ETOT(band)= -1.565144 trlgG= -2.231520 logG= -0.659391 TDE= -4.397874 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039144 tlogG= -0.616720 logG= -0.655863 Density= 3.418766 ETOT(band)= -1.561197 trlgG= -2.225053 logG= -0.655863 TDE= -4.395968 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039107 tlogG= -0.619443 logG= -0.658550 Density= 3.418131 ETOT(band)= -1.563622 trlgG= -2.230403 logG= -0.658550 TDE= -4.398106 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039202 tlogG= -0.614171 logG= -0.653373 Density= 3.419124 ETOT(band)= -1.558914 trlgG= -2.221134 logG= -0.653373 TDE= -4.394835 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039371 tlogG= -0.612969 logG= -0.652339 Density= 3.419678 ETOT(band)= -1.557329 trlgG= -2.220815 logG= -0.652339 TDE= -4.396007 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038860 tlogG= -0.625300 logG= -0.664160 Density= 3.416487 ETOT(band)= -1.569528 trlgG= -2.242101 logG= -0.664160 TDE= -4.402834 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038867 tlogG= -0.627052 logG= -0.665919 Density= 3.416415 ETOT(band)= -1.570779 trlgG= -2.245593 logG= -0.665919 TDE= -4.404509 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038867 tlogG= -0.620920 logG= -0.659786 Density= 3.417260 ETOT(band)= -1.565832 trlgG= -2.232372 logG= -0.659786 TDE= -4.398117 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.039094 tlogG= -0.617402 logG= -0.656496 Density= 3.417939 ETOT(band)= -1.562347 trlgG= -2.227464 logG= -0.656496 TDE= -4.397062 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039198 tlogG= -0.616208 logG= -0.655407 Density= 3.418864 ETOT(band)= -1.560618 trlgG= -2.225174 logG= -0.655407 TDE= -4.396626 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039218 tlogG= -0.617832 logG= -0.657050 Density= 3.419457 ETOT(band)= -1.561538 trlgG= -2.225848 logG= -0.657050 TDE= -4.396147 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039434 tlogG= -0.612821 logG= -0.652256 Density= 3.420231 ETOT(band)= -1.556713 trlgG= -2.220277 logG= -0.652256 TDE= -4.396010 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038945 tlogG= -0.623075 logG= -0.662020 Density= 3.417132 ETOT(band)= -1.567311 trlgG= -2.237300 logG= -0.662020 TDE= -4.400707 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039211 tlogG= -0.617479 logG= -0.656690 Density= 3.419188 ETOT(band)= -1.561359 trlgG= -2.226309 logG= -0.656690 TDE= -4.396746 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039301 tlogG= -0.614007 logG= -0.653308 Density= 3.419824 ETOT(band)= -1.558203 trlgG= -2.220447 logG= -0.653308 TDE= -4.394791 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039257 tlogG= -0.615692 logG= -0.654949 Density= 3.418994 ETOT(band)= -1.560015 trlgG= -2.224874 logG= -0.654949 TDE= -4.396890 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039286 tlogG= -0.613585 logG= -0.652870 Density= 3.419402 ETOT(band)= -1.558137 trlgG= -2.221325 logG= -0.652870 TDE= -4.395758 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039060 tlogG= -0.620043 logG= -0.659102 Density= 3.418155 ETOT(band)= -1.564082 trlgG= -2.230358 logG= -0.659102 TDE= -4.397528 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039042 tlogG= -0.622643 logG= -0.661686 Density= 3.418232 ETOT(band)= -1.566214 trlgG= -2.234534 logG= -0.661686 TDE= -4.399185 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.038997 tlogG= -0.622619 logG= -0.661616 Density= 3.417204 ETOT(band)= -1.566817 trlgG= -2.237219 logG= -0.661616 TDE= -4.401089 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.039210 tlogG= -0.617107 logG= -0.656317 Density= 3.418944 ETOT(band)= -1.561141 trlgG= -2.226423 logG= -0.656317 TDE= -4.397031 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.039047 tlogG= -0.619608 logG= -0.658656 Density= 3.417578 ETOT(band)= -1.564293 trlgG= -2.231123 logG= -0.658656 TDE= -4.398263 logGD-logG0= -0.039177 tlogG= -0.620443 logG= -0.659620 Density= 3.419344 ETOT(band)= -1.563688 trlgG= -2.229669 logG= -0.659620 TDE= -4.397304 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.039491 tlogG= -0.610464 logG= -0.649955 Density= 3.420728 ETOT(band)= -1.554538 trlgG= -2.216221 logG= -0.649955 TDE= -4.394667 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039013 tlogG= -0.622038 logG= -0.661051 Density= 3.417600 ETOT(band)= -1.566045 trlgG= -2.235384 logG= -0.661051 TDE= -4.400147 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039367 tlogG= -0.613422 logG= -0.652789 Density= 3.420015 ETOT(band)= -1.557475 trlgG= -2.220705 logG= -0.652789 TDE= -4.395726 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039374 tlogG= -0.611181 logG= -0.650556 Density= 3.420219 ETOT(band)= -1.555611 trlgG= -2.216219 logG= -0.650556 TDE= -4.393642 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038868 tlogG= -0.622670 logG= -0.661538 Density= 3.416758 ETOT(band)= -1.567452 trlgG= -2.236506 logG= -0.661538 TDE= -4.400086 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038996 tlogG= -0.620048 logG= -0.659044 Density= 3.417540 ETOT(band)= -1.564747 trlgG= -2.231514 logG= -0.659044 TDE= -4.398234 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039607 tlogG= -0.609672 logG= -0.649279 Density= 3.421266 ETOT(band)= -1.553360 trlgG= -2.215302 logG= -0.649279 TDE= -4.394868 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038893 tlogG= -0.620676 logG= -0.659569 Density= 3.417105 ETOT(band)= -1.565723 trlgG= -2.232212 logG= -0.659569 TDE= -4.398047 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039045 tlogG= -0.617808 logG= -0.656853 Density= 3.417933 ETOT(band)= -1.562741 trlgG= -2.227577 logG= -0.656853 TDE= -4.396813 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038819 tlogG= -0.622992 logG= -0.661810 Density= 3.416761 ETOT(band)= -1.567743 trlgG= -2.236389 logG= -0.661810 TDE= -4.399698 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 Sum of eigenvalues= -1021.37255501845 eV TrLogG= -1457.84287939113 eV Ratio to renormalize= 0.999582267462 rho-rho_expected= 0.068536766319 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 11) Finished k-point number 12 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800753354105092 0.802185466866344 0.802756806566884 0.800323278796767 0.802727478562833 0.802711232600465 0.801047865713470 0.802050374635805 0.802855027398078 0.800960656487944 0.802256942381669 0.802756746104325 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038772 tlogG= -0.627618 logG= -0.666389 Density= 3.416133 ETOT(band)= -1.571493 trlgG= -2.245155 logG= -0.666389 TDE= -4.403366 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039194 tlogG= -0.616218 logG= -0.655412 Density= 3.418850 ETOT(band)= -1.560599 trlgG= -2.225159 logG= -0.655412 TDE= -4.396594 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038923 tlogG= -0.620431 logG= -0.659353 Density= 3.416945 ETOT(band)= -1.565580 trlgG= -2.232170 logG= -0.659353 TDE= -4.398088 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039021 tlogG= -0.622372 logG= -0.661393 Density= 3.417883 ETOT(band)= -1.566148 trlgG= -2.235041 logG= -0.661393 TDE= -4.399695 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039009 tlogG= -0.622048 logG= -0.661057 Density= 3.417586 ETOT(band)= -1.566027 trlgG= -2.235371 logG= -0.661057 TDE= -4.400116 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038863 tlogG= -0.627062 logG= -0.665925 Density= 3.416401 ETOT(band)= -1.570762 trlgG= -2.245581 logG= -0.665925 TDE= -4.404478 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038958 tlogG= -0.626469 logG= -0.665427 Density= 3.416706 ETOT(band)= -1.569964 trlgG= -2.245216 logG= -0.665427 TDE= -4.404863 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038873 tlogG= -0.625622 logG= -0.664495 Density= 3.416899 ETOT(band)= -1.569437 trlgG= -2.240929 logG= -0.664495 TDE= -4.401668 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039072 tlogG= -0.620244 logG= -0.659315 Density= 3.418382 ETOT(band)= -1.564211 trlgG= -2.230461 logG= -0.659315 TDE= -4.397606 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039253 tlogG= -0.615702 logG= -0.654955 Density= 3.418980 ETOT(band)= -1.559996 trlgG= -2.224858 logG= -0.654955 TDE= -4.396858 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038919 tlogG= -0.622311 logG= -0.661230 Density= 3.416751 ETOT(band)= -1.567085 trlgG= -2.236591 logG= -0.661230 TDE= -4.400473 logGD-logG0= -0.039110 tlogG= -0.620257 logG= -0.659367 Density= 3.418710 ETOT(band)= -1.563887 trlgG= -2.230005 logG= -0.659367 TDE= -4.397370 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038934 tlogG= -0.624811 logG= -0.663744 Density= 3.416660 ETOT(band)= -1.568895 trlgG= -2.241930 logG= -0.663744 TDE= -4.403222 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038940 tlogG= -0.620456 logG= -0.659396 Density= 3.417503 ETOT(band)= -1.565125 trlgG= -2.231507 logG= -0.659396 TDE= -4.397845 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038993 tlogG= -0.622629 logG= -0.661622 Density= 3.417190 ETOT(band)= -1.566800 trlgG= -2.237206 logG= -0.661622 TDE= -4.401058 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.039038 tlogG= -0.622653 logG= -0.661691 Density= 3.418219 ETOT(band)= -1.566196 trlgG= -2.234522 logG= -0.661691 TDE= -4.399157 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039282 tlogG= -0.613594 logG= -0.652875 Density= 3.419389 ETOT(band)= -1.558118 trlgG= -2.221309 logG= -0.652875 TDE= -4.395726 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039362 tlogG= -0.613432 logG= -0.652794 Density= 3.420002 ETOT(band)= -1.557456 trlgG= -2.220689 logG= -0.652794 TDE= -4.395695 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039140 tlogG= -0.616729 logG= -0.655869 Density= 3.418753 ETOT(band)= -1.561178 trlgG= -2.225039 logG= -0.655869 TDE= -4.395937 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038862 tlogG= -0.620929 logG= -0.659791 Density= 3.417246 ETOT(band)= -1.565813 trlgG= -2.232360 logG= -0.659791 TDE= -4.398090 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038815 tlogG= -0.623001 logG= -0.661816 Density= 3.416747 ETOT(band)= -1.567724 trlgG= -2.236378 logG= -0.661816 TDE= -4.399671 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039430 tlogG= -0.612831 logG= -0.652261 Density= 3.420217 ETOT(band)= -1.556694 trlgG= -2.220261 logG= -0.652261 TDE= -4.395978 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038918 tlogG= -0.625177 logG= -0.664096 Density= 3.416935 ETOT(band)= -1.568978 trlgG= -2.241487 logG= -0.664096 TDE= -4.402655 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038892 tlogG= -0.623524 logG= -0.662416 Density= 3.417089 ETOT(band)= -1.567742 trlgG= -2.237235 logG= -0.662416 TDE= -4.400210 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039198 tlogG= -0.614181 logG= -0.653378 Density= 3.419111 ETOT(band)= -1.558895 trlgG= -2.221119 logG= -0.653378 TDE= -4.394804 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038889 tlogG= -0.620685 logG= -0.659574 Density= 3.417091 ETOT(band)= -1.565704 trlgG= -2.232199 logG= -0.659574 TDE= -4.398018 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038988 tlogG= -0.618196 logG= -0.657184 Density= 3.417917 ETOT(band)= -1.563085 trlgG= -2.227347 logG= -0.657184 TDE= -4.396239 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039090 tlogG= -0.617411 logG= -0.656502 Density= 3.417926 ETOT(band)= -1.562329 trlgG= -2.227449 logG= -0.656502 TDE= -4.397030 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038855 tlogG= -0.625310 logG= -0.664166 Density= 3.416473 ETOT(band)= -1.569510 trlgG= -2.242088 logG= -0.664166 TDE= -4.402804 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039370 tlogG= -0.611190 logG= -0.650560 Density= 3.420206 ETOT(band)= -1.555591 trlgG= -2.216203 logG= -0.650560 TDE= -4.393610 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039206 tlogG= -0.617116 logG= -0.656322 Density= 3.418931 ETOT(band)= -1.561122 trlgG= -2.226408 logG= -0.656322 TDE= -4.397000 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.039088 tlogG= -0.619868 logG= -0.658956 Density= 3.418233 ETOT(band)= -1.563940 trlgG= -2.230589 logG= -0.658956 TDE= -4.397970 logGD-logG0= -0.038864 tlogG= -0.622680 logG= -0.661543 Density= 3.416744 ETOT(band)= -1.567434 trlgG= -2.236493 logG= -0.661543 TDE= -4.400055 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038941 tlogG= -0.623085 logG= -0.662026 Density= 3.417118 ETOT(band)= -1.567293 trlgG= -2.237287 logG= -0.662026 TDE= -4.400677 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038779 tlogG= -0.625772 logG= -0.664550 Density= 3.416304 ETOT(band)= -1.570068 trlgG= -2.241660 logG= -0.664550 TDE= -4.401852 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038970 tlogG= -0.624705 logG= -0.663675 Density= 3.417001 ETOT(band)= -1.568465 trlgG= -2.241444 logG= -0.663675 TDE= -4.403087 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038991 tlogG= -0.620058 logG= -0.659049 Density= 3.417526 ETOT(band)= -1.564729 trlgG= -2.231501 logG= -0.659049 TDE= -4.398205 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039487 tlogG= -0.610473 logG= -0.649960 Density= 3.420715 ETOT(band)= -1.554519 trlgG= -2.216205 logG= -0.649960 TDE= -4.394635 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039366 tlogG= -0.612978 logG= -0.652345 Density= 3.419665 ETOT(band)= -1.557310 trlgG= -2.220799 logG= -0.652345 TDE= -4.395976 logGD-logG0= -0.039207 tlogG= -0.617488 logG= -0.656695 Density= 3.419175 ETOT(band)= -1.561340 trlgG= -2.226294 logG= -0.656695 TDE= -4.396715 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039173 tlogG= -0.620453 logG= -0.659625 Density= 3.419331 ETOT(band)= -1.563669 trlgG= -2.229657 logG= -0.659625 TDE= -4.397277 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.039043 tlogG= -0.619618 logG= -0.658661 Density= 3.417564 ETOT(band)= -1.564275 trlgG= -2.231110 logG= -0.658661 TDE= -4.398233 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039214 tlogG= -0.617842 logG= -0.657055 Density= 3.419444 ETOT(band)= -1.561519 trlgG= -2.225835 logG= -0.657055 TDE= -4.396118 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039041 tlogG= -0.617818 logG= -0.656858 Density= 3.417920 ETOT(band)= -1.562722 trlgG= -2.227561 logG= -0.656858 TDE= -4.396781 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039297 tlogG= -0.614016 logG= -0.653313 Density= 3.419811 ETOT(band)= -1.558183 trlgG= -2.220431 logG= -0.653313 TDE= -4.394760 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039603 tlogG= -0.609681 logG= -0.649284 Density= 3.421253 ETOT(band)= -1.553341 trlgG= -2.215286 logG= -0.649284 TDE= -4.394836 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039103 tlogG= -0.619453 logG= -0.658556 Density= 3.418118 ETOT(band)= -1.563604 trlgG= -2.230390 logG= -0.658556 TDE= -4.398075 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039056 tlogG= -0.620052 logG= -0.659108 Density= 3.418142 ETOT(band)= -1.564063 trlgG= -2.230344 logG= -0.659108 TDE= -4.397498 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1021.36046993413 eV TrLogG= -1457.82672301103 eV Ratio to renormalize= 0.999586189979 rho-rho_expected= 0.067892938226 nargs= 1 argi=dmft2.def 15) Finished k-point number 16 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 9) Finished k-point number 10 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 47) Finished k-point number 48 1 with #bands= 104 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800736515337255 0.802192226220363 0.802731544932928 0.800306022734152 0.802734407569839 0.802686206591905 0.801030988685483 0.802057275570495 0.802829960710779 0.800943972465037 0.802263295446002 0.802731701705163 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038937 tlogG= -0.620467 logG= -0.659403 Density= 3.417494 ETOT(band)= -1.565114 trlgG= -2.231504 logG= -0.659403 TDE= -4.397827 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038870 tlogG= -0.625633 logG= -0.664503 Density= 3.416889 ETOT(band)= -1.569427 trlgG= -2.240927 logG= -0.664503 TDE= -4.401650 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039100 tlogG= -0.619463 logG= -0.658563 Density= 3.418108 ETOT(band)= -1.563593 trlgG= -2.230386 logG= -0.658563 TDE= -4.398056 logGD-logG0= -0.039368 tlogG= -0.611200 logG= -0.650567 Density= 3.420198 ETOT(band)= -1.555579 trlgG= -2.216197 logG= -0.650567 TDE= -4.393591 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039195 tlogG= -0.614190 logG= -0.653385 Density= 3.419103 ETOT(band)= -1.558883 trlgG= -2.221114 logG= -0.653385 TDE= -4.394785 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038931 tlogG= -0.624822 logG= -0.663752 Density= 3.416650 ETOT(band)= -1.568885 trlgG= -2.241927 logG= -0.663752 TDE= -4.403203 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038955 tlogG= -0.626480 logG= -0.665435 Density= 3.416695 ETOT(band)= -1.569954 trlgG= -2.245213 logG= -0.665435 TDE= -4.404844 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=117 logGD-logG0= -0.038769 tlogG= -0.627629 logG= -0.666398 Density= 3.416123 ETOT(band)= -1.571483 trlgG= -2.245152 logG= -0.666398 TDE= -4.403347 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038889 tlogG= -0.623535 logG= -0.662424 Density= 3.417079 ETOT(band)= -1.567732 trlgG= -2.237232 logG= -0.662424 TDE= -4.400192 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039035 tlogG= -0.622664 logG= -0.661699 Density= 3.418210 ETOT(band)= -1.566184 trlgG= -2.234520 logG= -0.661699 TDE= -4.399139 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.039191 tlogG= -0.616228 logG= -0.655419 Density= 3.418841 ETOT(band)= -1.560588 trlgG= -2.225154 logG= -0.655419 TDE= -4.396575 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039085 tlogG= -0.619879 logG= -0.658964 Density= 3.418224 ETOT(band)= -1.563929 trlgG= -2.230585 logG= -0.658964 TDE= -4.397951 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038985 tlogG= -0.618206 logG= -0.657191 Density= 3.417908 ETOT(band)= -1.563074 trlgG= -2.227344 logG= -0.657191 TDE= -4.396221 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038989 tlogG= -0.620068 logG= -0.659057 Density= 3.417517 ETOT(band)= -1.564718 trlgG= -2.231497 logG= -0.659057 TDE= -4.398186 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038853 tlogG= -0.625321 logG= -0.664174 Density= 3.416463 ETOT(band)= -1.569500 trlgG= -2.242085 logG= -0.664174 TDE= -4.402784 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038938 tlogG= -0.623096 logG= -0.662034 Density= 3.417109 ETOT(band)= -1.567283 trlgG= -2.237284 logG= -0.662034 TDE= -4.400657 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038860 tlogG= -0.620939 logG= -0.659799 Density= 3.417237 ETOT(band)= -1.565801 trlgG= -2.232358 logG= -0.659799 TDE= -4.398073 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039069 tlogG= -0.620254 logG= -0.659323 Density= 3.418373 ETOT(band)= -1.564199 trlgG= -2.230458 logG= -0.659323 TDE= -4.397588 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038860 tlogG= -0.627073 logG= -0.665933 Density= 3.416391 ETOT(band)= -1.570752 trlgG= -2.245578 logG= -0.665933 TDE= -4.404459 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038916 tlogG= -0.622322 logG= -0.661238 Density= 3.416741 ETOT(band)= -1.567074 trlgG= -2.236587 logG= -0.661238 TDE= -4.400453 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038920 tlogG= -0.620441 logG= -0.659361 Density= 3.416935 ETOT(band)= -1.565568 trlgG= -2.232166 logG= -0.659361 TDE= -4.398069 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038967 tlogG= -0.624716 logG= -0.663684 Density= 3.416991 ETOT(band)= -1.568455 trlgG= -2.241441 logG= -0.663684 TDE= -4.403067 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039364 tlogG= -0.612988 logG= -0.652352 Density= 3.419656 ETOT(band)= -1.557298 trlgG= -2.220795 logG= -0.652352 TDE= -4.395956 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039040 tlogG= -0.619628 logG= -0.658669 Density= 3.417554 ETOT(band)= -1.564264 trlgG= -2.231106 logG= -0.658669 TDE= -4.398214 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039600 tlogG= -0.609691 logG= -0.649291 Density= 3.421244 ETOT(band)= -1.553329 trlgG= -2.215281 logG= -0.649291 TDE= -4.394817 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038915 tlogG= -0.625188 logG= -0.664104 Density= 3.416925 ETOT(band)= -1.568968 trlgG= -2.241483 logG= -0.664104 TDE= -4.402635 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039360 tlogG= -0.613442 logG= -0.652801 Density= 3.419993 ETOT(band)= -1.557444 trlgG= -2.220684 logG= -0.652801 TDE= -4.395676 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038776 tlogG= -0.625782 logG= -0.664558 Density= 3.416294 ETOT(band)= -1.570057 trlgG= -2.241658 logG= -0.664558 TDE= -4.401833 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039279 tlogG= -0.613604 logG= -0.652882 Density= 3.419380 ETOT(band)= -1.558106 trlgG= -2.221304 logG= -0.652882 TDE= -4.395707 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039137 tlogG= -0.616739 logG= -0.655876 Density= 3.418744 ETOT(band)= -1.561166 trlgG= -2.225035 logG= -0.655876 TDE= -4.395919 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039170 tlogG= -0.620463 logG= -0.659633 Density= 3.419322 ETOT(band)= -1.563657 trlgG= -2.229655 logG= -0.659633 TDE= -4.397260 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038990 tlogG= -0.622640 logG= -0.661630 Density= 3.417180 ETOT(band)= -1.566789 trlgG= -2.237202 logG= -0.661630 TDE= -4.401038 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=131 logGD-logG0= -0.039427 tlogG= -0.612841 logG= -0.652268 Density= 3.420209 ETOT(band)= -1.556682 trlgG= -2.220257 logG= -0.652268 TDE= -4.395959 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039018 tlogG= -0.622383 logG= -0.661401 Density= 3.417873 ETOT(band)= -1.566137 trlgG= -2.235037 logG= -0.661401 TDE= -4.399675 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039006 tlogG= -0.622058 logG= -0.661065 Density= 3.417576 ETOT(band)= -1.566016 trlgG= -2.235367 logG= -0.661065 TDE= -4.400096 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038861 tlogG= -0.622690 logG= -0.661551 Density= 3.416734 ETOT(band)= -1.567423 trlgG= -2.236489 logG= -0.661551 TDE= -4.400035 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038812 tlogG= -0.623012 logG= -0.661823 Density= 3.416738 ETOT(band)= -1.567714 trlgG= -2.236376 logG= -0.661823 TDE= -4.399654 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038886 tlogG= -0.620696 logG= -0.659582 Density= 3.417082 ETOT(band)= -1.565693 trlgG= -2.232195 logG= -0.659582 TDE= -4.397999 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039107 tlogG= -0.620267 logG= -0.659375 Density= 3.418701 ETOT(band)= -1.563876 trlgG= -2.230002 logG= -0.659375 TDE= -4.397351 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039038 tlogG= -0.617828 logG= -0.656865 Density= 3.417911 ETOT(band)= -1.562710 trlgG= -2.227556 logG= -0.656865 TDE= -4.396761 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039203 tlogG= -0.617127 logG= -0.656330 Density= 3.418922 ETOT(band)= -1.561111 trlgG= -2.226403 logG= -0.656330 TDE= -4.396980 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039204 tlogG= -0.617498 logG= -0.656702 Density= 3.419166 ETOT(band)= -1.561328 trlgG= -2.226289 logG= -0.656702 TDE= -4.396695 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039484 tlogG= -0.610482 logG= -0.649967 Density= 3.420706 ETOT(band)= -1.554507 trlgG= -2.216200 logG= -0.649967 TDE= -4.394615 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039053 tlogG= -0.620062 logG= -0.659115 Density= 3.418133 ETOT(band)= -1.564052 trlgG= -2.230339 logG= -0.659115 TDE= -4.397478 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039294 tlogG= -0.614026 logG= -0.653320 Density= 3.419803 ETOT(band)= -1.558171 trlgG= -2.220426 logG= -0.653320 TDE= -4.394741 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039211 tlogG= -0.617852 logG= -0.657062 Density= 3.419435 ETOT(band)= -1.561507 trlgG= -2.225831 logG= -0.657062 TDE= -4.396100 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039250 tlogG= -0.615712 logG= -0.654962 Density= 3.418971 ETOT(band)= -1.559985 trlgG= -2.224854 logG= -0.654962 TDE= -4.396839 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039087 tlogG= -0.617422 logG= -0.656509 Density= 3.417916 ETOT(band)= -1.562317 trlgG= -2.227444 logG= -0.656509 TDE= -4.397010 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 Sum of eigenvalues= -1021.35320589572 eV TrLogG= -1457.81922890854 eV Ratio to renormalize= 0.999588910838 rho-rho_expected= 0.067446349071 nargs= 1 argi=dmft2.def 35) Finished k-point number 36 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 23) Finished k-point number 24 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 2) Finished k-point number 3 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 41) Finished k-point number 42 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 43) Finished k-point number 44 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800697597676428 0.802318586019662 0.802633942915592 0.800267633102490 0.802858041798857 0.802590337649395 0.800992440448034 0.802183111004945 0.802734088962894 0.800905432770108 0.802386700174795 0.802636242545526 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039068 tlogG= -0.620326 logG= -0.659393 Density= 3.418371 ETOT(band)= -1.564235 trlgG= -2.230565 logG= -0.659393 TDE= -4.397623 logGD-logG0= -0.038935 tlogG= -0.620538 logG= -0.659473 Density= 3.417491 ETOT(band)= -1.565149 trlgG= -2.231608 logG= -0.659473 TDE= -4.397858 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039136 tlogG= -0.616808 logG= -0.655945 Density= 3.418746 ETOT(band)= -1.561197 trlgG= -2.225148 logG= -0.655945 TDE= -4.395965 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038767 tlogG= -0.627704 logG= -0.666471 Density= 3.416116 ETOT(band)= -1.571525 trlgG= -2.245262 logG= -0.666471 TDE= -4.403378 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=126 logGD-logG0= -0.038774 tlogG= -0.625857 logG= -0.664631 Density= 3.416287 ETOT(band)= -1.570098 trlgG= -2.241769 logG= -0.664631 TDE= -4.401866 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038914 tlogG= -0.622394 logG= -0.661308 Density= 3.416734 ETOT(band)= -1.567113 trlgG= -2.236688 logG= -0.661308 TDE= -4.400478 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038929 tlogG= -0.624896 logG= -0.663825 Density= 3.416641 ETOT(band)= -1.568927 trlgG= -2.242035 logG= -0.663825 TDE= -4.403231 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039294 tlogG= -0.614094 logG= -0.653388 Density= 3.419808 ETOT(band)= -1.558199 trlgG= -2.220536 logG= -0.653388 TDE= -4.394787 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038984 tlogG= -0.618275 logG= -0.657259 Density= 3.417906 ETOT(band)= -1.563106 trlgG= -2.227454 logG= -0.657259 TDE= -4.396262 logGD-logG0= -0.039017 tlogG= -0.622456 logG= -0.661473 Density= 3.417868 ETOT(band)= -1.566176 trlgG= -2.235141 logG= -0.661473 TDE= -4.399703 logGD-logG0= -0.039039 tlogG= -0.619699 logG= -0.658738 Density= 3.417550 ETOT(band)= -1.564301 trlgG= -2.231208 logG= -0.658738 TDE= -4.398242 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039191 tlogG= -0.616297 logG= -0.655488 Density= 3.418842 ETOT(band)= -1.560619 trlgG= -2.225270 logG= -0.655488 TDE= -4.396623 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038868 tlogG= -0.625708 logG= -0.664576 Density= 3.416883 ETOT(band)= -1.569467 trlgG= -2.241038 logG= -0.664576 TDE= -4.401683 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038859 tlogG= -0.622762 logG= -0.661621 Density= 3.416728 ETOT(band)= -1.567462 trlgG= -2.236591 logG= -0.661621 TDE= -4.400062 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039359 tlogG= -0.613510 logG= -0.652869 Density= 3.419998 ETOT(band)= -1.557473 trlgG= -2.220797 logG= -0.652869 TDE= -4.395724 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039249 tlogG= -0.615782 logG= -0.655031 Density= 3.418971 ETOT(band)= -1.560018 trlgG= -2.224971 logG= -0.655031 TDE= -4.396887 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038858 tlogG= -0.621010 logG= -0.659868 Density= 3.417233 ETOT(band)= -1.565837 trlgG= -2.232465 logG= -0.659868 TDE= -4.398108 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038888 tlogG= -0.623608 logG= -0.662495 Density= 3.417075 ETOT(band)= -1.567770 trlgG= -2.237340 logG= -0.662495 TDE= -4.400224 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039202 tlogG= -0.617197 logG= -0.656399 Density= 3.418920 ETOT(band)= -1.561146 trlgG= -2.226512 logG= -0.656399 TDE= -4.397017 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039086 tlogG= -0.617491 logG= -0.656577 Density= 3.417914 ETOT(band)= -1.562351 trlgG= -2.227551 logG= -0.656577 TDE= -4.397048 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039278 tlogG= -0.613671 logG= -0.652950 Density= 3.419384 ETOT(band)= -1.558135 trlgG= -2.221415 logG= -0.652950 TDE= -4.395754 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038988 tlogG= -0.622713 logG= -0.661701 Density= 3.417173 ETOT(band)= -1.566830 trlgG= -2.237307 logG= -0.661701 TDE= -4.401066 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039005 tlogG= -0.622132 logG= -0.661136 Density= 3.417570 ETOT(band)= -1.566056 trlgG= -2.235470 logG= -0.661136 TDE= -4.400123 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038810 tlogG= -0.623084 logG= -0.661894 Density= 3.416732 ETOT(band)= -1.567752 trlgG= -2.236486 logG= -0.661894 TDE= -4.399688 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038884 tlogG= -0.620766 logG= -0.659650 Density= 3.417077 ETOT(band)= -1.565729 trlgG= -2.232297 logG= -0.659650 TDE= -4.398028 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039099 tlogG= -0.619535 logG= -0.658634 Density= 3.418104 ETOT(band)= -1.563630 trlgG= -2.230494 logG= -0.658634 TDE= -4.398090 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038918 tlogG= -0.620511 logG= -0.659429 Density= 3.416930 ETOT(band)= -1.565605 trlgG= -2.232267 logG= -0.659429 TDE= -4.398098 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039034 tlogG= -0.622737 logG= -0.661771 Density= 3.418206 ETOT(band)= -1.566222 trlgG= -2.234628 logG= -0.661771 TDE= -4.399172 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038953 tlogG= -0.626556 logG= -0.665509 Density= 3.416685 ETOT(band)= -1.569999 trlgG= -2.245325 logG= -0.665509 TDE= -4.404873 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039169 tlogG= -0.620535 logG= -0.659704 Density= 3.419320 ETOT(band)= -1.563693 trlgG= -2.229762 logG= -0.659704 TDE= -4.397294 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.039106 tlogG= -0.620339 logG= -0.659446 Density= 3.418698 ETOT(band)= -1.563912 trlgG= -2.230105 logG= -0.659446 TDE= -4.397381 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039368 tlogG= -0.611266 logG= -0.650634 Density= 3.420207 ETOT(band)= -1.555603 trlgG= -2.216302 logG= -0.650634 TDE= -4.393637 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039195 tlogG= -0.614258 logG= -0.653452 Density= 3.419107 ETOT(band)= -1.558911 trlgG= -2.221223 logG= -0.653452 TDE= -4.394830 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038851 tlogG= -0.625396 logG= -0.664246 Density= 3.416455 ETOT(band)= -1.569541 trlgG= -2.242192 logG= -0.664246 TDE= -4.402812 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038914 tlogG= -0.625263 logG= -0.664177 Density= 3.416918 ETOT(band)= -1.569009 trlgG= -2.241591 logG= -0.664177 TDE= -4.402664 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038987 tlogG= -0.620139 logG= -0.659126 Density= 3.417514 ETOT(band)= -1.564754 trlgG= -2.231600 logG= -0.659126 TDE= -4.398216 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038966 tlogG= -0.624791 logG= -0.663756 Density= 3.416982 ETOT(band)= -1.568498 trlgG= -2.241549 logG= -0.663756 TDE= -4.403096 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039484 tlogG= -0.610549 logG= -0.650033 Density= 3.420715 ETOT(band)= -1.554531 trlgG= -2.216306 logG= -0.650033 TDE= -4.394663 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039084 tlogG= -0.619950 logG= -0.659034 Density= 3.418221 ETOT(band)= -1.563965 trlgG= -2.230693 logG= -0.659034 TDE= -4.397986 logGD-logG0= -0.038858 tlogG= -0.627149 logG= -0.666007 Density= 3.416382 ETOT(band)= -1.570795 trlgG= -2.245688 logG= -0.666007 TDE= -4.404488 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039363 tlogG= -0.613056 logG= -0.652419 Density= 3.419659 ETOT(band)= -1.557327 trlgG= -2.220907 logG= -0.652419 TDE= -4.396003 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039210 tlogG= -0.617922 logG= -0.657132 Density= 3.419436 ETOT(band)= -1.561539 trlgG= -2.225944 logG= -0.657132 TDE= -4.396144 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039037 tlogG= -0.617897 logG= -0.656934 Density= 3.417909 ETOT(band)= -1.562743 trlgG= -2.227661 logG= -0.656934 TDE= -4.396797 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.039052 tlogG= -0.620134 logG= -0.659186 Density= 3.418128 ETOT(band)= -1.564090 trlgG= -2.230439 logG= -0.659186 TDE= -4.397504 logGD-logG0= -0.038937 tlogG= -0.623169 logG= -0.662106 Density= 3.417103 ETOT(band)= -1.567322 trlgG= -2.237389 logG= -0.662106 TDE= -4.400686 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039427 tlogG= -0.612909 logG= -0.652336 Density= 3.420212 ETOT(band)= -1.556712 trlgG= -2.220370 logG= -0.652336 TDE= -4.396007 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039204 tlogG= -0.617569 logG= -0.656772 Density= 3.419166 ETOT(band)= -1.561362 trlgG= -2.226396 logG= -0.656772 TDE= -4.396732 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039600 tlogG= -0.609758 logG= -0.649358 Density= 3.421252 ETOT(band)= -1.553355 trlgG= -2.215389 logG= -0.649358 TDE= -4.394864 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 Sum of eigenvalues= -1021.37639613062 eV TrLogG= -1457.88819104811 eV Ratio to renormalize= 0.999589619084 rho-rho_expected= 0.067330101138 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 39) Finished k-point number 40 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 4) Finished k-point number 5 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 21) Finished k-point number 22 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 12) Finished k-point number 13 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 9) Finished k-point number 10 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800690969753908 0.802314054289971 0.802632277324855 0.800260921916438 0.802853670945576 0.802588615236445 0.800985893142003 0.802178539719041 0.802732397071627 0.800898845479779 0.802382125540045 0.802634621779857 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039066 tlogG= -0.614242 logG= -0.653308 Density= 3.419169 ETOT(band)= -1.558856 trlgG= -2.221017 logG= -0.653308 TDE= -4.394820 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038804 tlogG= -0.620492 logG= -0.659296 Density= 3.417064 ETOT(band)= -1.565506 trlgG= -2.232015 logG= -0.659296 TDE= -4.398089 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038817 tlogG= -0.624877 logG= -0.663693 Density= 3.416788 ETOT(band)= -1.568820 trlgG= -2.241773 logG= -0.663693 TDE= -4.403221 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039009 tlogG= -0.616792 logG= -0.655801 Density= 3.418808 ETOT(band)= -1.561144 trlgG= -2.224944 logG= -0.655801 TDE= -4.395955 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038894 tlogG= -0.622438 logG= -0.661333 Density= 3.417954 ETOT(band)= -1.566109 trlgG= -2.234921 logG= -0.661333 TDE= -4.399694 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038923 tlogG= -0.619681 logG= -0.658604 Density= 3.417692 ETOT(band)= -1.564194 trlgG= -2.230948 logG= -0.658604 TDE= -4.398233 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038941 tlogG= -0.620309 logG= -0.659250 Density= 3.418429 ETOT(band)= -1.564186 trlgG= -2.230365 logG= -0.659250 TDE= -4.397614 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038743 tlogG= -0.620991 logG= -0.659734 Density= 3.417343 ETOT(band)= -1.565757 trlgG= -2.232232 logG= -0.659734 TDE= -4.398099 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039153 tlogG= -0.613655 logG= -0.652808 Density= 3.419487 ETOT(band)= -1.558051 trlgG= -2.221178 logG= -0.652808 TDE= -4.395743 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038659 tlogG= -0.625838 logG= -0.664497 Density= 3.416399 ETOT(band)= -1.570016 trlgG= -2.241534 logG= -0.664497 TDE= -4.401858 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038841 tlogG= -0.626536 logG= -0.665377 Density= 3.416832 ETOT(band)= -1.569892 trlgG= -2.245063 logG= -0.665377 TDE= -4.404864 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039078 tlogG= -0.617907 logG= -0.656984 Density= 3.419465 ETOT(band)= -1.561508 trlgG= -2.225763 logG= -0.656984 TDE= -4.396134 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038979 tlogG= -0.620323 logG= -0.659302 Density= 3.418764 ETOT(band)= -1.563857 trlgG= -2.229898 logG= -0.659302 TDE= -4.397372 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038768 tlogG= -0.623590 logG= -0.662358 Density= 3.417167 ETOT(band)= -1.567701 trlgG= -2.237118 logG= -0.662358 TDE= -4.400216 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039066 tlogG= -0.616281 logG= -0.655347 Density= 3.418941 ETOT(band)= -1.560540 trlgG= -2.225037 logG= -0.655347 TDE= -4.396612 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038816 tlogG= -0.620520 logG= -0.659336 Density= 3.417587 ETOT(band)= -1.565076 trlgG= -2.231382 logG= -0.659336 TDE= -4.397850 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038748 tlogG= -0.625690 logG= -0.664438 Density= 3.416969 ETOT(band)= -1.569402 trlgG= -2.240821 logG= -0.664438 TDE= -4.401675 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038651 tlogG= -0.627686 logG= -0.666337 Density= 3.416223 ETOT(band)= -1.571447 trlgG= -2.245031 logG= -0.666337 TDE= -4.403369 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.039129 tlogG= -0.615765 logG= -0.654893 Density= 3.419108 ETOT(band)= -1.559912 trlgG= -2.224709 logG= -0.654893 TDE= -4.396877 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038907 tlogG= -0.622720 logG= -0.661627 Density= 3.418259 ETOT(band)= -1.566178 trlgG= -2.234432 logG= -0.661627 TDE= -4.399164 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038918 tlogG= -0.617879 logG= -0.656797 Density= 3.418028 ETOT(band)= -1.562654 trlgG= -2.227417 logG= -0.656797 TDE= -4.396787 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038870 tlogG= -0.620121 logG= -0.658991 Density= 3.417633 ETOT(band)= -1.564664 trlgG= -2.231357 logG= -0.658991 TDE= -4.398207 logGD-logG0= -0.039232 tlogG= -0.611251 logG= -0.650483 Density= 3.420234 ETOT(band)= -1.555569 trlgG= -2.216118 logG= -0.650483 TDE= -4.393627 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038969 tlogG= -0.617473 logG= -0.656442 Density= 3.418055 ETOT(band)= -1.562245 trlgG= -2.227290 logG= -0.656442 TDE= -4.397038 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038864 tlogG= -0.618257 logG= -0.657121 Density= 3.418002 ETOT(band)= -1.563033 trlgG= -2.227228 logG= -0.657121 TDE= -4.396253 logGD-logG0= -0.039302 tlogG= -0.612893 logG= -0.652195 Density= 3.420341 ETOT(band)= -1.556609 trlgG= -2.220111 logG= -0.652195 TDE= -4.395996 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038737 tlogG= -0.625376 logG= -0.664114 Density= 3.416584 ETOT(band)= -1.569447 trlgG= -2.241943 logG= -0.664114 TDE= -4.402803 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038696 tlogG= -0.623065 logG= -0.661761 Density= 3.416846 ETOT(band)= -1.567669 trlgG= -2.236250 logG= -0.661761 TDE= -4.399680 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=121 logGD-logG0= -0.039353 tlogG= -0.610534 logG= -0.649887 Density= 3.420797 ETOT(band)= -1.554459 trlgG= -2.216082 logG= -0.649887 TDE= -4.394652 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038745 tlogG= -0.622743 logG= -0.661488 Density= 3.416856 ETOT(band)= -1.567368 trlgG= -2.236344 logG= -0.661488 TDE= -4.400053 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038979 tlogG= -0.619518 logG= -0.658497 Density= 3.418231 ETOT(band)= -1.563533 trlgG= -2.230242 logG= -0.658497 TDE= -4.398081 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039076 tlogG= -0.617552 logG= -0.656628 Density= 3.419238 ETOT(band)= -1.561301 trlgG= -2.226182 logG= -0.656628 TDE= -4.396722 logGD-logG0= -0.038961 tlogG= -0.619933 logG= -0.658894 Density= 3.418313 ETOT(band)= -1.563893 trlgG= -2.230468 logG= -0.658894 TDE= -4.397977 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039037 tlogG= -0.620519 logG= -0.659556 Density= 3.419348 ETOT(band)= -1.563664 trlgG= -2.229584 logG= -0.659556 TDE= -4.397286 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038801 tlogG= -0.622375 logG= -0.661176 Density= 3.416877 ETOT(band)= -1.567009 trlgG= -2.236429 logG= -0.661176 TDE= -4.400469 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038744 tlogG= -0.627130 logG= -0.665874 Density= 3.416509 ETOT(band)= -1.570703 trlgG= -2.245442 logG= -0.665874 TDE= -4.404479 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038796 tlogG= -0.625245 logG= -0.664041 Density= 3.417028 ETOT(band)= -1.568927 trlgG= -2.241355 logG= -0.664041 TDE= -4.402655 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039474 tlogG= -0.609742 logG= -0.649216 Density= 3.421393 ETOT(band)= -1.553241 trlgG= -2.215120 logG= -0.649216 TDE= -4.394854 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039160 tlogG= -0.614079 logG= -0.653239 Density= 3.419837 ETOT(band)= -1.558166 trlgG= -2.220353 logG= -0.653239 TDE= -4.394777 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038929 tlogG= -0.620117 logG= -0.659046 Density= 3.418235 ETOT(band)= -1.564007 trlgG= -2.230203 logG= -0.659046 TDE= -4.397495 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038770 tlogG= -0.620747 logG= -0.659517 Density= 3.417199 ETOT(band)= -1.565639 trlgG= -2.232054 logG= -0.659517 TDE= -4.398019 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039241 tlogG= -0.613039 logG= -0.652281 Density= 3.419803 ETOT(band)= -1.557215 trlgG= -2.220638 logG= -0.652281 TDE= -4.395993 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039079 tlogG= -0.617181 logG= -0.656259 Density= 3.419036 ETOT(band)= -1.561055 trlgG= -2.226266 logG= -0.656259 TDE= -4.397007 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038851 tlogG= -0.624772 logG= -0.663623 Density= 3.417117 ETOT(band)= -1.568399 trlgG= -2.241295 logG= -0.663623 TDE= -4.403087 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039230 tlogG= -0.613494 logG= -0.652724 Density= 3.420076 ETOT(band)= -1.557405 trlgG= -2.220576 logG= -0.652724 TDE= -4.395713 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038873 tlogG= -0.622694 logG= -0.661568 Density= 3.417312 ETOT(band)= -1.566727 trlgG= -2.237049 logG= -0.661568 TDE= -4.401057 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.038819 tlogG= -0.623150 logG= -0.661970 Density= 3.417218 ETOT(band)= -1.567236 trlgG= -2.237150 logG= -0.661970 TDE= -4.400677 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038886 tlogG= -0.622114 logG= -0.661000 Density= 3.417689 ETOT(band)= -1.565966 trlgG= -2.235226 logG= -0.661000 TDE= -4.400114 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 Sum of eigenvalues= -1021.32429351120 eV TrLogG= -1457.79160026486 eV Ratio to renormalize= 0.999559485220 rho-rho_expected= 0.072276262657 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 9) Finished k-point number 10 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 11) Finished k-point number 12 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 10) Finished k-point number 11 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800708118314590 0.802317443192159 0.802660253606183 0.800277883986626 0.802857324055831 0.802616364333403 0.801002785162819 0.802181910005805 0.802760306246683 0.800915694460865 0.802385818502891 0.802662480855657 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038820 tlogG= -0.620511 logG= -0.659331 Density= 3.417599 ETOT(band)= -1.565083 trlgG= -2.231383 logG= -0.659331 TDE= -4.397866 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039070 tlogG= -0.614233 logG= -0.653303 Density= 3.419181 ETOT(band)= -1.558863 trlgG= -2.221020 logG= -0.653303 TDE= -4.394838 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038805 tlogG= -0.622366 logG= -0.661171 Density= 3.416889 ETOT(band)= -1.567015 trlgG= -2.236432 logG= -0.661171 TDE= -4.400487 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038808 tlogG= -0.620484 logG= -0.659291 Density= 3.417076 ETOT(band)= -1.565512 trlgG= -2.232016 logG= -0.659291 TDE= -4.398105 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038752 tlogG= -0.625680 logG= -0.664432 Density= 3.416981 ETOT(band)= -1.569408 trlgG= -2.240821 logG= -0.664432 TDE= -4.401690 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038655 tlogG= -0.627676 logG= -0.666331 Density= 3.416235 ETOT(band)= -1.571453 trlgG= -2.245031 logG= -0.666331 TDE= -4.403385 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038747 tlogG= -0.620982 logG= -0.659729 Density= 3.417355 ETOT(band)= -1.565764 trlgG= -2.232232 logG= -0.659729 TDE= -4.398114 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039357 tlogG= -0.610525 logG= -0.649882 Density= 3.420809 ETOT(band)= -1.554466 trlgG= -2.216086 logG= -0.649882 TDE= -4.394671 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038983 tlogG= -0.619509 logG= -0.658492 Density= 3.418243 ETOT(band)= -1.563540 trlgG= -2.230244 logG= -0.658492 TDE= -4.398098 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038774 tlogG= -0.620739 logG= -0.659512 Density= 3.417211 ETOT(band)= -1.565646 trlgG= -2.232056 logG= -0.659512 TDE= -4.398035 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038772 tlogG= -0.623581 logG= -0.662352 Density= 3.417178 ETOT(band)= -1.567707 trlgG= -2.237118 logG= -0.662352 TDE= -4.400231 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039132 tlogG= -0.615756 logG= -0.654888 Density= 3.419120 ETOT(band)= -1.559918 trlgG= -2.224713 logG= -0.654888 TDE= -4.396895 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.039157 tlogG= -0.613646 logG= -0.652803 Density= 3.419499 ETOT(band)= -1.558058 trlgG= -2.221182 logG= -0.652803 TDE= -4.395762 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038911 tlogG= -0.622711 logG= -0.661622 Density= 3.418270 ETOT(band)= -1.566185 trlgG= -2.234433 logG= -0.661622 TDE= -4.399179 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038663 tlogG= -0.625828 logG= -0.664492 Density= 3.416411 ETOT(band)= -1.570022 trlgG= -2.241534 logG= -0.664492 TDE= -4.401873 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038945 tlogG= -0.620300 logG= -0.659245 Density= 3.418440 ETOT(band)= -1.564193 trlgG= -2.230367 logG= -0.659245 TDE= -4.397630 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038877 tlogG= -0.622685 logG= -0.661562 Density= 3.417324 ETOT(band)= -1.566732 trlgG= -2.237050 logG= -0.661562 TDE= -4.401074 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038800 tlogG= -0.625235 logG= -0.664035 Density= 3.417040 ETOT(band)= -1.568933 trlgG= -2.241357 logG= -0.664035 TDE= -4.402672 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039070 tlogG= -0.616272 logG= -0.655342 Density= 3.418953 ETOT(band)= -1.560547 trlgG= -2.225040 logG= -0.655342 TDE= -4.396631 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039164 tlogG= -0.614071 logG= -0.653234 Density= 3.419848 ETOT(band)= -1.558173 trlgG= -2.220357 logG= -0.653234 TDE= -4.394795 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039041 tlogG= -0.620510 logG= -0.659551 Density= 3.419358 ETOT(band)= -1.563672 trlgG= -2.229584 logG= -0.659551 TDE= -4.397301 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038965 tlogG= -0.619924 logG= -0.658889 Density= 3.418325 ETOT(band)= -1.563899 trlgG= -2.230469 logG= -0.658889 TDE= -4.397993 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038845 tlogG= -0.626526 logG= -0.665372 Density= 3.416845 ETOT(band)= -1.569897 trlgG= -2.245063 logG= -0.665372 TDE= -4.404881 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=119 logGD-logG0= -0.039012 tlogG= -0.616783 logG= -0.655796 Density= 3.418819 ETOT(band)= -1.561151 trlgG= -2.224946 logG= -0.655796 TDE= -4.395972 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038890 tlogG= -0.622105 logG= -0.660994 Density= 3.417701 ETOT(band)= -1.565973 trlgG= -2.235229 logG= -0.660994 TDE= -4.400131 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038898 tlogG= -0.622429 logG= -0.661327 Density= 3.417965 ETOT(band)= -1.566116 trlgG= -2.234923 logG= -0.661327 TDE= -4.399711 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038823 tlogG= -0.623141 logG= -0.661964 Density= 3.417230 ETOT(band)= -1.567242 trlgG= -2.237151 logG= -0.661964 TDE= -4.400694 logGD-logG0= -0.038868 tlogG= -0.618249 logG= -0.657117 Density= 3.418014 ETOT(band)= -1.563040 trlgG= -2.227230 logG= -0.657117 TDE= -4.396269 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038821 tlogG= -0.624867 logG= -0.663688 Density= 3.416800 ETOT(band)= -1.568826 trlgG= -2.241774 logG= -0.663688 TDE= -4.403239 logGD-logG0= -0.039478 tlogG= -0.609733 logG= -0.649211 Density= 3.421405 ETOT(band)= -1.553248 trlgG= -2.215124 logG= -0.649211 TDE= -4.394873 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038873 tlogG= -0.620112 logG= -0.658986 Density= 3.417645 ETOT(band)= -1.564671 trlgG= -2.231359 logG= -0.658986 TDE= -4.398224 logGD-logG0= -0.039306 tlogG= -0.612884 logG= -0.652190 Density= 3.420353 ETOT(band)= -1.556615 trlgG= -2.220115 logG= -0.652190 TDE= -4.396015 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038973 tlogG= -0.617464 logG= -0.656437 Density= 3.418067 ETOT(band)= -1.562251 trlgG= -2.227294 logG= -0.656437 TDE= -4.397057 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039234 tlogG= -0.613485 logG= -0.652719 Density= 3.420087 ETOT(band)= -1.557412 trlgG= -2.220581 logG= -0.652719 TDE= -4.395732 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038741 tlogG= -0.625367 logG= -0.664108 Density= 3.416597 ETOT(band)= -1.569453 trlgG= -2.241945 logG= -0.664108 TDE= -4.402821 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038749 tlogG= -0.622734 logG= -0.661483 Density= 3.416868 ETOT(band)= -1.567374 trlgG= -2.236346 logG= -0.661483 TDE= -4.400070 logGD-logG0= -0.039079 tlogG= -0.617544 logG= -0.656623 Density= 3.419249 ETOT(band)= -1.561308 trlgG= -2.226186 logG= -0.656623 TDE= -4.396740 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038927 tlogG= -0.619672 logG= -0.658599 Density= 3.417704 ETOT(band)= -1.564201 trlgG= -2.230950 logG= -0.658599 TDE= -4.398250 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038983 tlogG= -0.620314 logG= -0.659297 Density= 3.418775 ETOT(band)= -1.563864 trlgG= -2.229899 logG= -0.659297 TDE= -4.397388 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038854 tlogG= -0.624763 logG= -0.663617 Density= 3.417130 ETOT(band)= -1.568404 trlgG= -2.241296 logG= -0.663617 TDE= -4.403104 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039236 tlogG= -0.611243 logG= -0.650479 Density= 3.420246 ETOT(band)= -1.555576 trlgG= -2.216123 logG= -0.650479 TDE= -4.393646 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039081 tlogG= -0.617898 logG= -0.656979 Density= 3.419476 ETOT(band)= -1.561516 trlgG= -2.225764 logG= -0.656979 TDE= -4.396150 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039245 tlogG= -0.613031 logG= -0.652276 Density= 3.419815 ETOT(band)= -1.557221 trlgG= -2.220642 logG= -0.652276 TDE= -4.396012 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038922 tlogG= -0.617871 logG= -0.656793 Density= 3.418040 ETOT(band)= -1.562660 trlgG= -2.227421 logG= -0.656793 TDE= -4.396806 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.038699 tlogG= -0.623056 logG= -0.661755 Density= 3.416858 ETOT(band)= -1.567675 trlgG= -2.236250 logG= -0.661755 TDE= -4.399694 logGD-logG0= -0.038748 tlogG= -0.627120 logG= -0.665868 Density= 3.416521 ETOT(band)= -1.570708 trlgG= -2.245443 logG= -0.665868 TDE= -4.404496 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038933 tlogG= -0.620108 logG= -0.659041 Density= 3.418246 ETOT(band)= -1.564014 trlgG= -2.230205 logG= -0.659041 TDE= -4.397512 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039082 tlogG= -0.617172 logG= -0.656254 Density= 3.419048 ETOT(band)= -1.561062 trlgG= -2.226269 logG= -0.656254 TDE= -4.397026 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 Sum of eigenvalues= -1021.32854632040 eV TrLogG= -1457.79940497309 eV Ratio to renormalize= 0.999555986518 rho-rho_expected= 0.072850557638 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 10) Finished k-point number 11 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 29) Finished k-point number 30 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800688150018283 0.802306272076618 0.802627560415601 0.800258093926861 0.802846146992665 0.802583708990160 0.800983077671426 0.802170750069419 0.802727651689471 0.800896064937273 0.802374352760799 0.802629911671515 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039152 tlogG= -0.613645 logG= -0.652796 Density= 3.419483 ETOT(band)= -1.558052 trlgG= -2.221163 logG= -0.652796 TDE= -4.395738 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038802 tlogG= -0.620482 logG= -0.659284 Density= 3.417060 ETOT(band)= -1.565506 trlgG= -2.232002 logG= -0.659284 TDE= -4.398086 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038840 tlogG= -0.626525 logG= -0.665365 Density= 3.416828 ETOT(band)= -1.569892 trlgG= -2.245049 logG= -0.665365 TDE= -4.404860 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=117 logGD-logG0= -0.039007 tlogG= -0.616781 logG= -0.655788 Density= 3.418804 ETOT(band)= -1.561144 trlgG= -2.224930 logG= -0.655788 TDE= -4.395950 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039352 tlogG= -0.610523 logG= -0.649875 Density= 3.420792 ETOT(band)= -1.554460 trlgG= -2.216068 logG= -0.649875 TDE= -4.394646 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038863 tlogG= -0.618247 logG= -0.657109 Density= 3.417998 ETOT(band)= -1.563033 trlgG= -2.227215 logG= -0.657109 TDE= -4.396249 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038906 tlogG= -0.622709 logG= -0.661615 Density= 3.418255 ETOT(band)= -1.566177 trlgG= -2.234420 logG= -0.661615 TDE= -4.399161 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038744 tlogG= -0.622732 logG= -0.661476 Density= 3.416852 ETOT(band)= -1.567368 trlgG= -2.236331 logG= -0.661476 TDE= -4.400050 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039065 tlogG= -0.616270 logG= -0.655335 Density= 3.418937 ETOT(band)= -1.560540 trlgG= -2.225022 logG= -0.655335 TDE= -4.396607 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038766 tlogG= -0.623579 logG= -0.662345 Density= 3.417163 ETOT(band)= -1.567700 trlgG= -2.237105 logG= -0.662345 TDE= -4.400212 logGD-logG0= -0.038815 tlogG= -0.624865 logG= -0.663681 Density= 3.416784 ETOT(band)= -1.568820 trlgG= -2.241759 logG= -0.663681 TDE= -4.403218 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038746 tlogG= -0.625679 logG= -0.664425 Density= 3.416965 ETOT(band)= -1.569402 trlgG= -2.240808 logG= -0.664425 TDE= -4.401672 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038650 tlogG= -0.627674 logG= -0.666324 Density= 3.416219 ETOT(band)= -1.571446 trlgG= -2.245018 logG= -0.666324 TDE= -4.403365 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038893 tlogG= -0.622427 logG= -0.661320 Density= 3.417950 ETOT(band)= -1.566108 trlgG= -2.234908 logG= -0.661320 TDE= -4.399691 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038741 tlogG= -0.620980 logG= -0.659721 Density= 3.417339 ETOT(band)= -1.565756 trlgG= -2.232220 logG= -0.659721 TDE= -4.398097 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.038959 tlogG= -0.619922 logG= -0.658881 Density= 3.418309 ETOT(band)= -1.563892 trlgG= -2.230455 logG= -0.658881 TDE= -4.397973 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038977 tlogG= -0.619507 logG= -0.658484 Density= 3.418227 ETOT(band)= -1.563533 trlgG= -2.230229 logG= -0.658484 TDE= -4.398077 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038795 tlogG= -0.625233 logG= -0.664028 Density= 3.417024 ETOT(band)= -1.568927 trlgG= -2.241342 logG= -0.664028 TDE= -4.402651 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039240 tlogG= -0.613029 logG= -0.652269 Density= 3.419799 ETOT(band)= -1.557215 trlgG= -2.220624 logG= -0.652269 TDE= -4.395987 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038921 tlogG= -0.619670 logG= -0.658592 Density= 3.417688 ETOT(band)= -1.564194 trlgG= -2.230935 logG= -0.658592 TDE= -4.398230 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038814 tlogG= -0.620509 logG= -0.659323 Density= 3.417584 ETOT(band)= -1.565076 trlgG= -2.231370 logG= -0.659323 TDE= -4.397847 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038868 tlogG= -0.620110 logG= -0.658978 Density= 3.417629 ETOT(band)= -1.564664 trlgG= -2.231345 logG= -0.658978 TDE= -4.398204 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039065 tlogG= -0.614231 logG= -0.653296 Density= 3.419165 ETOT(band)= -1.558856 trlgG= -2.221003 logG= -0.653296 TDE= -4.394815 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038917 tlogG= -0.617868 logG= -0.656785 Density= 3.418023 ETOT(band)= -1.562654 trlgG= -2.227404 logG= -0.656785 TDE= -4.396783 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038658 tlogG= -0.625827 logG= -0.664484 Density= 3.416395 ETOT(band)= -1.570015 trlgG= -2.241521 logG= -0.664484 TDE= -4.401855 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038694 tlogG= -0.623054 logG= -0.661748 Density= 3.416842 ETOT(band)= -1.567668 trlgG= -2.236238 logG= -0.661748 TDE= -4.399677 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038818 tlogG= -0.623139 logG= -0.661957 Density= 3.417214 ETOT(band)= -1.567236 trlgG= -2.237137 logG= -0.661957 TDE= -4.400674 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038978 tlogG= -0.620312 logG= -0.659289 Density= 3.418761 ETOT(band)= -1.563856 trlgG= -2.229885 logG= -0.659289 TDE= -4.397369 logGD-logG0= -0.038872 tlogG= -0.622683 logG= -0.661555 Density= 3.417308 ETOT(band)= -1.566726 trlgG= -2.237036 logG= -0.661555 TDE= -4.401053 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039472 tlogG= -0.609732 logG= -0.649204 Density= 3.421388 ETOT(band)= -1.553242 trlgG= -2.215106 logG= -0.649204 TDE= -4.394848 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038768 tlogG= -0.620736 logG= -0.659505 Density= 3.417195 ETOT(band)= -1.565639 trlgG= -2.232042 logG= -0.659505 TDE= -4.398016 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039231 tlogG= -0.611241 logG= -0.650471 Density= 3.420230 ETOT(band)= -1.555569 trlgG= -2.216104 logG= -0.650471 TDE= -4.393621 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039077 tlogG= -0.617170 logG= -0.656247 Density= 3.419032 ETOT(band)= -1.561055 trlgG= -2.226252 logG= -0.656247 TDE= -4.397003 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039127 tlogG= -0.615754 logG= -0.654881 Density= 3.419104 ETOT(band)= -1.559912 trlgG= -2.224695 logG= -0.654881 TDE= -4.396871 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038968 tlogG= -0.617462 logG= -0.656430 Density= 3.418050 ETOT(band)= -1.562245 trlgG= -2.227277 logG= -0.656430 TDE= -4.397033 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038799 tlogG= -0.622364 logG= -0.661163 Density= 3.416873 ETOT(band)= -1.567008 trlgG= -2.236417 logG= -0.661163 TDE= -4.400466 logGD-logG0= -0.039158 tlogG= -0.614069 logG= -0.653227 Density= 3.419833 ETOT(band)= -1.558166 trlgG= -2.220339 logG= -0.653227 TDE= -4.394772 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038939 tlogG= -0.620298 logG= -0.659237 Density= 3.418425 ETOT(band)= -1.564185 trlgG= -2.230353 logG= -0.659237 TDE= -4.397611 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039074 tlogG= -0.617541 logG= -0.656615 Density= 3.419234 ETOT(band)= -1.561301 trlgG= -2.226168 logG= -0.656615 TDE= -4.396718 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038928 tlogG= -0.620106 logG= -0.659034 Density= 3.418231 ETOT(band)= -1.564006 trlgG= -2.230190 logG= -0.659034 TDE= -4.397492 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039300 tlogG= -0.612883 logG= -0.652183 Density= 3.420337 ETOT(band)= -1.556609 trlgG= -2.220097 logG= -0.652183 TDE= -4.395991 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038849 tlogG= -0.624761 logG= -0.663610 Density= 3.417113 ETOT(band)= -1.568398 trlgG= -2.241281 logG= -0.663610 TDE= -4.403083 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039036 tlogG= -0.620508 logG= -0.659544 Density= 3.419344 ETOT(band)= -1.563663 trlgG= -2.229571 logG= -0.659544 TDE= -4.397283 logGD-logG0= -0.038742 tlogG= -0.627119 logG= -0.665861 Density= 3.416505 ETOT(band)= -1.570702 trlgG= -2.245428 logG= -0.665861 TDE= -4.404476 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039228 tlogG= -0.613484 logG= -0.652712 Density= 3.420071 ETOT(band)= -1.557405 trlgG= -2.220562 logG= -0.652712 TDE= -4.395707 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038884 tlogG= -0.622103 logG= -0.660987 Density= 3.417685 ETOT(band)= -1.565966 trlgG= -2.235213 logG= -0.660987 TDE= -4.400110 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038736 tlogG= -0.625365 logG= -0.664101 Density= 3.416580 ETOT(band)= -1.569447 trlgG= -2.241930 logG= -0.664101 TDE= -4.402800 logGD-logG0= -0.039076 tlogG= -0.617896 logG= -0.656972 Density= 3.419461 ETOT(band)= -1.561508 trlgG= -2.225749 logG= -0.656972 TDE= -4.396130 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 Sum of eigenvalues= -1021.32406624622 eV TrLogG= -1457.78077088893 eV Ratio to renormalize= 0.999560643553 rho-rho_expected= 0.072086128802 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 4) Finished k-point number 5 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 39) Finished k-point number 40 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 19) Finished k-point number 20 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 37) Finished k-point number 38 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 26) Finished k-point number 27 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800685984061634 0.802316406690773 0.802602783464650 0.800256144142187 0.802855943221762 0.802559087004351 0.800980886058700 0.802181220769168 0.802702749853085 0.800893916216786 0.802384548810773 0.802605041193996 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039151 tlogG= -0.613644 logG= -0.652795 Density= 3.419482 ETOT(band)= -1.558065 trlgG= -2.221174 logG= -0.652795 TDE= -4.395749 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038838 tlogG= -0.626525 logG= -0.665363 Density= 3.416826 ETOT(band)= -1.569906 trlgG= -2.245061 logG= -0.665363 TDE= -4.404871 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=117 logGD-logG0= -0.039064 tlogG= -0.616270 logG= -0.655333 Density= 3.418936 ETOT(band)= -1.560553 trlgG= -2.225033 logG= -0.655333 TDE= -4.396618 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038746 tlogG= -0.625678 logG= -0.664424 Density= 3.416964 ETOT(band)= -1.569415 trlgG= -2.240820 logG= -0.664424 TDE= -4.401683 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038977 tlogG= -0.619506 logG= -0.658483 Density= 3.418225 ETOT(band)= -1.563547 trlgG= -2.230240 logG= -0.658483 TDE= -4.398088 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038814 tlogG= -0.624865 logG= -0.663679 Density= 3.416782 ETOT(band)= -1.568834 trlgG= -2.241771 logG= -0.663679 TDE= -4.403228 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038649 tlogG= -0.627674 logG= -0.666323 Density= 3.416217 ETOT(band)= -1.571460 trlgG= -2.245029 logG= -0.666323 TDE= -4.403377 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=126 logGD-logG0= -0.038798 tlogG= -0.622363 logG= -0.661162 Density= 3.416871 ETOT(band)= -1.567022 trlgG= -2.236428 logG= -0.661162 TDE= -4.400476 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038765 tlogG= -0.623578 logG= -0.662344 Density= 3.417161 ETOT(band)= -1.567713 trlgG= -2.237117 logG= -0.662344 TDE= -4.400224 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038892 tlogG= -0.622427 logG= -0.661319 Density= 3.417949 ETOT(band)= -1.566121 trlgG= -2.234919 logG= -0.661319 TDE= -4.399702 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038813 tlogG= -0.620508 logG= -0.659322 Density= 3.417582 ETOT(band)= -1.565089 trlgG= -2.231381 logG= -0.659322 TDE= -4.397858 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039006 tlogG= -0.616781 logG= -0.655787 Density= 3.418803 ETOT(band)= -1.561157 trlgG= -2.224941 logG= -0.655787 TDE= -4.395962 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038740 tlogG= -0.620980 logG= -0.659720 Density= 3.417337 ETOT(band)= -1.565769 trlgG= -2.232232 logG= -0.659720 TDE= -4.398109 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.039073 tlogG= -0.617541 logG= -0.656614 Density= 3.419233 ETOT(band)= -1.561314 trlgG= -2.226179 logG= -0.656614 TDE= -4.396729 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038870 tlogG= -0.622683 logG= -0.661554 Density= 3.417306 ETOT(band)= -1.566740 trlgG= -2.237047 logG= -0.661554 TDE= -4.401064 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039157 tlogG= -0.614068 logG= -0.653226 Density= 3.419833 ETOT(band)= -1.558178 trlgG= -2.220349 logG= -0.653226 TDE= -4.394783 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038905 tlogG= -0.622708 logG= -0.661613 Density= 3.418255 ETOT(band)= -1.566190 trlgG= -2.234431 logG= -0.661613 TDE= -4.399173 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038735 tlogG= -0.625365 logG= -0.664100 Density= 3.416578 ETOT(band)= -1.569461 trlgG= -2.241941 logG= -0.664100 TDE= -4.402811 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038967 tlogG= -0.617462 logG= -0.656428 Density= 3.418049 ETOT(band)= -1.562259 trlgG= -2.227288 logG= -0.656428 TDE= -4.397044 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038883 tlogG= -0.622102 logG= -0.660986 Density= 3.417683 ETOT(band)= -1.565979 trlgG= -2.235224 logG= -0.660986 TDE= -4.400121 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038741 tlogG= -0.627118 logG= -0.665860 Density= 3.416503 ETOT(band)= -1.570716 trlgG= -2.245440 logG= -0.665860 TDE= -4.404487 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038743 tlogG= -0.622732 logG= -0.661474 Density= 3.416850 ETOT(band)= -1.567381 trlgG= -2.236342 logG= -0.661474 TDE= -4.400061 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038938 tlogG= -0.620298 logG= -0.659236 Density= 3.418424 ETOT(band)= -1.564198 trlgG= -2.230364 logG= -0.659236 TDE= -4.397623 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038862 tlogG= -0.618246 logG= -0.657108 Density= 3.417997 ETOT(band)= -1.563046 trlgG= -2.227227 logG= -0.657108 TDE= -4.396261 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039471 tlogG= -0.609732 logG= -0.649203 Density= 3.421387 ETOT(band)= -1.553255 trlgG= -2.215117 logG= -0.649203 TDE= -4.394859 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039076 tlogG= -0.617169 logG= -0.656245 Density= 3.419031 ETOT(band)= -1.561068 trlgG= -2.226262 logG= -0.656245 TDE= -4.397013 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039230 tlogG= -0.611240 logG= -0.650470 Density= 3.420230 ETOT(band)= -1.555582 trlgG= -2.216114 logG= -0.650470 TDE= -4.393632 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038848 tlogG= -0.624761 logG= -0.663609 Density= 3.417111 ETOT(band)= -1.568412 trlgG= -2.241293 logG= -0.663609 TDE= -4.403094 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038927 tlogG= -0.620106 logG= -0.659033 Density= 3.418230 ETOT(band)= -1.564020 trlgG= -2.230200 logG= -0.659033 TDE= -4.397502 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038958 tlogG= -0.619922 logG= -0.658880 Density= 3.418308 ETOT(band)= -1.563906 trlgG= -2.230466 logG= -0.658880 TDE= -4.397985 logGD-logG0= -0.038817 tlogG= -0.623139 logG= -0.661956 Density= 3.417212 ETOT(band)= -1.567249 trlgG= -2.237148 logG= -0.661956 TDE= -4.400685 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038693 tlogG= -0.623054 logG= -0.661747 Density= 3.416840 ETOT(band)= -1.567682 trlgG= -2.236250 logG= -0.661747 TDE= -4.399689 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038794 tlogG= -0.625233 logG= -0.664027 Density= 3.417022 ETOT(band)= -1.568940 trlgG= -2.241353 logG= -0.664027 TDE= -4.402662 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039064 tlogG= -0.614231 logG= -0.653295 Density= 3.419164 ETOT(band)= -1.558869 trlgG= -2.221014 logG= -0.653295 TDE= -4.394826 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039351 tlogG= -0.610523 logG= -0.649874 Density= 3.420792 ETOT(band)= -1.554472 trlgG= -2.216078 logG= -0.649874 TDE= -4.394657 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039075 tlogG= -0.617895 logG= -0.656970 Density= 3.419461 ETOT(band)= -1.561520 trlgG= -2.225761 logG= -0.656970 TDE= -4.396143 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039239 tlogG= -0.613029 logG= -0.652267 Density= 3.419797 ETOT(band)= -1.557228 trlgG= -2.220635 logG= -0.652267 TDE= -4.395998 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038767 tlogG= -0.620736 logG= -0.659503 Density= 3.417193 ETOT(band)= -1.565653 trlgG= -2.232054 logG= -0.659503 TDE= -4.398028 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038920 tlogG= -0.619670 logG= -0.658590 Density= 3.417686 ETOT(band)= -1.564208 trlgG= -2.230946 logG= -0.658590 TDE= -4.398241 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038657 tlogG= -0.625826 logG= -0.664483 Density= 3.416394 ETOT(band)= -1.570029 trlgG= -2.241533 logG= -0.664483 TDE= -4.401866 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038801 tlogG= -0.620481 logG= -0.659282 Density= 3.417058 ETOT(band)= -1.565519 trlgG= -2.232014 logG= -0.659282 TDE= -4.398097 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039227 tlogG= -0.613483 logG= -0.652711 Density= 3.420071 ETOT(band)= -1.557418 trlgG= -2.220572 logG= -0.652711 TDE= -4.395718 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039300 tlogG= -0.612882 logG= -0.652182 Density= 3.420336 ETOT(band)= -1.556622 trlgG= -2.220108 logG= -0.652182 TDE= -4.396001 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038867 tlogG= -0.620110 logG= -0.658977 Density= 3.417627 ETOT(band)= -1.564677 trlgG= -2.231356 logG= -0.658977 TDE= -4.398215 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039126 tlogG= -0.615754 logG= -0.654880 Density= 3.419102 ETOT(band)= -1.559925 trlgG= -2.224706 logG= -0.654880 TDE= -4.396882 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039035 tlogG= -0.620508 logG= -0.659542 Density= 3.419344 ETOT(band)= -1.563676 trlgG= -2.229582 logG= -0.659542 TDE= -4.397296 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038977 tlogG= -0.620311 logG= -0.659288 Density= 3.418760 ETOT(band)= -1.563869 trlgG= -2.229896 logG= -0.659288 TDE= -4.397380 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038916 tlogG= -0.617868 logG= -0.656784 Density= 3.418022 ETOT(band)= -1.562667 trlgG= -2.227414 logG= -0.656784 TDE= -4.396793 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 Sum of eigenvalues= -1021.33277623041 eV TrLogG= -1457.78729609454 eV Ratio to renormalize= 0.999561043563 rho-rho_expected= 0.072020469492 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 39) Finished k-point number 40 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 23) Finished k-point number 24 1 with #bands= 107 41) Finished k-point number 42 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800686138073688 0.802325573190104 0.802583582554644 0.800256569824903 0.802864694367589 0.802540044829835 0.800981114518468 0.802190420598237 0.802683594706353 0.800894157407161 0.802393607342621 0.802585823314744 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038794 tlogG= -0.625243 logG= -0.664037 Density= 3.417023 ETOT(band)= -1.568950 trlgG= -2.241372 logG= -0.664037 TDE= -4.402672 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038814 tlogG= -0.620519 logG= -0.659332 Density= 3.417584 ETOT(band)= -1.565098 trlgG= -2.231400 logG= -0.659332 TDE= -4.397868 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038892 tlogG= -0.622437 logG= -0.661329 Density= 3.417950 ETOT(band)= -1.566131 trlgG= -2.234938 logG= -0.661329 TDE= -4.399711 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039151 tlogG= -0.613654 logG= -0.652805 Density= 3.419483 ETOT(band)= -1.558074 trlgG= -2.221193 logG= -0.652805 TDE= -4.395759 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039064 tlogG= -0.616280 logG= -0.655344 Density= 3.418937 ETOT(band)= -1.560562 trlgG= -2.225053 logG= -0.655344 TDE= -4.396628 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039126 tlogG= -0.615764 logG= -0.654890 Density= 3.419103 ETOT(band)= -1.559935 trlgG= -2.224726 logG= -0.654890 TDE= -4.396892 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038766 tlogG= -0.623589 logG= -0.662354 Density= 3.417163 ETOT(band)= -1.567723 trlgG= -2.237136 logG= -0.662354 TDE= -4.400234 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038862 tlogG= -0.618256 logG= -0.657118 Density= 3.417998 ETOT(band)= -1.563055 trlgG= -2.227246 logG= -0.657118 TDE= -4.396271 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038746 tlogG= -0.625688 logG= -0.664434 Density= 3.416965 ETOT(band)= -1.569425 trlgG= -2.240839 logG= -0.664434 TDE= -4.401693 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038939 tlogG= -0.620308 logG= -0.659247 Density= 3.418426 ETOT(band)= -1.564207 trlgG= -2.230383 logG= -0.659247 TDE= -4.397633 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038871 tlogG= -0.622693 logG= -0.661564 Density= 3.417307 ETOT(band)= -1.566750 trlgG= -2.237066 logG= -0.661564 TDE= -4.401073 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038799 tlogG= -0.622374 logG= -0.661172 Density= 3.416871 ETOT(band)= -1.567032 trlgG= -2.236446 logG= -0.661172 TDE= -4.400485 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038801 tlogG= -0.620491 logG= -0.659293 Density= 3.417059 ETOT(band)= -1.565529 trlgG= -2.232033 logG= -0.659293 TDE= -4.398107 logGD-logG0= -0.039158 tlogG= -0.614078 logG= -0.653236 Density= 3.419835 ETOT(band)= -1.558187 trlgG= -2.220368 logG= -0.653236 TDE= -4.394793 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039073 tlogG= -0.617551 logG= -0.656625 Density= 3.419235 ETOT(band)= -1.561323 trlgG= -2.226198 logG= -0.656625 TDE= -4.396738 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039007 tlogG= -0.616791 logG= -0.655797 Density= 3.418805 ETOT(band)= -1.561166 trlgG= -2.224960 logG= -0.655797 TDE= -4.395973 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038741 tlogG= -0.620990 logG= -0.659730 Density= 3.417339 ETOT(band)= -1.565779 trlgG= -2.232251 logG= -0.659730 TDE= -4.398119 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.038977 tlogG= -0.619517 logG= -0.658493 Density= 3.418226 ETOT(band)= -1.563556 trlgG= -2.230259 logG= -0.658493 TDE= -4.398097 logGD-logG0= -0.038839 tlogG= -0.626535 logG= -0.665374 Density= 3.416826 ETOT(band)= -1.569916 trlgG= -2.245080 logG= -0.665374 TDE= -4.404880 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038817 tlogG= -0.623149 logG= -0.661966 Density= 3.417213 ETOT(band)= -1.567259 trlgG= -2.237167 logG= -0.661966 TDE= -4.400695 logGD-logG0= -0.038905 tlogG= -0.622719 logG= -0.661624 Density= 3.418256 ETOT(band)= -1.566199 trlgG= -2.234450 logG= -0.661624 TDE= -4.399183 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039064 tlogG= -0.614241 logG= -0.653305 logGD-logG0= -0.039239 tlogG= -0.613039 logG= -0.652278 Density= 3.419166 ETOT(band)= -1.558878 trlgG= -2.221032 logG= -0.653305 TDE= -4.394836 Density= 3.419798 ETOT(band)= -1.557238 trlgG= -2.220655 logG= -0.652278 TDE= -4.396008 logGD-logG0= -0.038649 tlogG= -0.627684 logG= -0.666333 Density= 3.416218 ETOT(band)= -1.571470 trlgG= -2.245049 logG= -0.666333 TDE= -4.403386 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=127 logGD-logG0= -0.039228 tlogG= -0.613493 logG= -0.652721 Density= 3.420072 ETOT(band)= -1.557427 trlgG= -2.220592 logG= -0.652721 TDE= -4.395729 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038814 tlogG= -0.624876 logG= -0.663690 Density= 3.416782 ETOT(band)= -1.568844 trlgG= -2.241790 logG= -0.663690 TDE= -4.403238 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038767 tlogG= -0.620746 logG= -0.659513 Density= 3.417194 ETOT(band)= -1.565662 trlgG= -2.232072 logG= -0.659513 TDE= -4.398037 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038916 tlogG= -0.617878 logG= -0.656794 Density= 3.418023 ETOT(band)= -1.562676 trlgG= -2.227433 logG= -0.656794 TDE= -4.396803 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038657 tlogG= -0.625836 logG= -0.664494 Density= 3.416394 ETOT(band)= -1.570039 trlgG= -2.241553 logG= -0.664494 TDE= -4.401876 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038921 tlogG= -0.619680 logG= -0.658601 Density= 3.417687 ETOT(band)= -1.564218 trlgG= -2.230965 logG= -0.658601 TDE= -4.398250 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038977 tlogG= -0.620321 logG= -0.659299 Density= 3.418761 ETOT(band)= -1.563878 trlgG= -2.229915 logG= -0.659299 TDE= -4.397390 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039075 tlogG= -0.617905 logG= -0.656981 Density= 3.419463 ETOT(band)= -1.561529 trlgG= -2.225780 logG= -0.656981 TDE= -4.396154 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038927 tlogG= -0.620116 logG= -0.659043 Density= 3.418231 ETOT(band)= -1.564029 trlgG= -2.230219 logG= -0.659043 TDE= -4.397511 logGD-logG0= -0.038743 tlogG= -0.622742 logG= -0.661485 Density= 3.416851 ETOT(band)= -1.567391 trlgG= -2.236361 logG= -0.661485 TDE= -4.400070 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039076 tlogG= -0.617180 logG= -0.656256 Density= 3.419032 ETOT(band)= -1.561078 trlgG= -2.226281 logG= -0.656256 TDE= -4.397023 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038884 tlogG= -0.622113 logG= -0.660996 Density= 3.417684 ETOT(band)= -1.565989 trlgG= -2.235243 logG= -0.660996 TDE= -4.400130 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038848 tlogG= -0.624771 logG= -0.663619 Density= 3.417112 ETOT(band)= -1.568422 trlgG= -2.241312 logG= -0.663619 TDE= -4.403103 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038967 tlogG= -0.617472 logG= -0.656439 Density= 3.418050 ETOT(band)= -1.562268 trlgG= -2.227307 logG= -0.656439 TDE= -4.397053 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038735 tlogG= -0.625375 logG= -0.664110 Density= 3.416579 ETOT(band)= -1.569471 trlgG= -2.241960 logG= -0.664110 TDE= -4.402820 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039472 tlogG= -0.609742 logG= -0.649213 Density= 3.421388 ETOT(band)= -1.553264 trlgG= -2.215136 logG= -0.649213 TDE= -4.394869 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039035 tlogG= -0.620518 logG= -0.659553 Density= 3.419346 ETOT(band)= -1.563685 trlgG= -2.229601 logG= -0.659553 TDE= -4.397305 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038867 tlogG= -0.620120 logG= -0.658987 Density= 3.417628 ETOT(band)= -1.564687 trlgG= -2.231375 logG= -0.658987 TDE= -4.398225 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039351 tlogG= -0.610533 logG= -0.649884 Density= 3.420793 ETOT(band)= -1.554481 trlgG= -2.216097 logG= -0.649884 TDE= -4.394667 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039230 tlogG= -0.611250 logG= -0.650480 Density= 3.420232 ETOT(band)= -1.555590 trlgG= -2.216133 logG= -0.650480 TDE= -4.393642 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038959 tlogG= -0.619932 logG= -0.658890 Density= 3.418309 ETOT(band)= -1.563915 trlgG= -2.230485 logG= -0.658890 TDE= -4.397995 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039300 tlogG= -0.612892 logG= -0.652192 Density= 3.420337 ETOT(band)= -1.556632 trlgG= -2.220127 logG= -0.652192 TDE= -4.396012 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038742 tlogG= -0.627129 logG= -0.665870 Density= 3.416503 ETOT(band)= -1.570726 trlgG= -2.245459 logG= -0.665870 TDE= -4.404496 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038693 tlogG= -0.623064 logG= -0.661757 Density= 3.416841 ETOT(band)= -1.567691 trlgG= -2.236269 logG= -0.661757 TDE= -4.399699 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 Sum of eigenvalues= -1021.33895255579 eV TrLogG= -1457.80041730460 eV Ratio to renormalize= 0.999560703540 rho-rho_expected= 0.072076282239 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 34) Finished k-point number 35 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 47) Finished k-point number 48 1 with #bands= 104 38) Finished k-point number 39 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 35) Finished k-point number 36 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 9) Finished k-point number 10 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800692196712927 0.802320831595342 0.802612817066104 0.800262366835303 0.802860346176635 0.802569100442961 0.800987092888472 0.802185535605753 0.802712838975306 0.800900071890375 0.802388979198340 0.802615097882522 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038650 tlogG= -0.627675 logG= -0.666325 Density= 3.416222 ETOT(band)= -1.571469 trlgG= -2.245040 logG= -0.666325 TDE= -4.403390 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038800 tlogG= -0.622364 logG= -0.661164 Density= 3.416876 ETOT(band)= -1.567031 trlgG= -2.236439 logG= -0.661164 TDE= -4.400489 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039152 tlogG= -0.613645 logG= -0.652797 Density= 3.419487 ETOT(band)= -1.558073 trlgG= -2.221187 logG= -0.652797 TDE= -4.395763 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038803 tlogG= -0.620482 logG= -0.659285 Density= 3.417063 ETOT(band)= -1.565528 trlgG= -2.232025 logG= -0.659285 TDE= -4.398110 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038767 tlogG= -0.623579 logG= -0.662346 Density= 3.417166 ETOT(band)= -1.567722 trlgG= -2.237128 logG= -0.662346 TDE= -4.400237 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039036 tlogG= -0.620508 logG= -0.659545 Density= 3.419349 ETOT(band)= -1.563685 trlgG= -2.229593 logG= -0.659545 TDE= -4.397308 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038840 tlogG= -0.626525 logG= -0.665366 Density= 3.416831 ETOT(band)= -1.569914 trlgG= -2.245072 logG= -0.665366 TDE= -4.404884 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038816 tlogG= -0.624866 logG= -0.663682 Density= 3.416787 ETOT(band)= -1.568842 trlgG= -2.241782 logG= -0.663682 TDE= -4.403242 logGD-logG0= -0.039065 tlogG= -0.616270 logG= -0.655336 Density= 3.418941 ETOT(band)= -1.560562 trlgG= -2.225046 logG= -0.655336 TDE= -4.396632 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039077 tlogG= -0.617896 logG= -0.656973 Density= 3.419466 ETOT(band)= -1.561529 trlgG= -2.225772 logG= -0.656973 TDE= -4.396156 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038940 tlogG= -0.620299 logG= -0.659238 Density= 3.418429 ETOT(band)= -1.564207 trlgG= -2.230375 logG= -0.659238 TDE= -4.397636 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038906 tlogG= -0.622709 logG= -0.661616 Density= 3.418260 ETOT(band)= -1.566199 trlgG= -2.234442 logG= -0.661616 TDE= -4.399185 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038978 tlogG= -0.619507 logG= -0.658485 Density= 3.418230 ETOT(band)= -1.563555 trlgG= -2.230252 logG= -0.658485 TDE= -4.398101 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038742 tlogG= -0.620980 logG= -0.659722 Density= 3.417342 ETOT(band)= -1.565778 trlgG= -2.232243 logG= -0.659722 TDE= -4.398121 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.039229 tlogG= -0.613484 logG= -0.652713 Density= 3.420076 ETOT(band)= -1.557427 trlgG= -2.220585 logG= -0.652713 TDE= -4.395733 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038747 tlogG= -0.625679 logG= -0.664426 Density= 3.416969 ETOT(band)= -1.569424 trlgG= -2.240830 logG= -0.664426 TDE= -4.401696 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038815 tlogG= -0.620509 logG= -0.659324 Density= 3.417587 ETOT(band)= -1.565098 trlgG= -2.231392 logG= -0.659324 TDE= -4.397871 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038695 tlogG= -0.623054 logG= -0.661749 Density= 3.416845 ETOT(band)= -1.567690 trlgG= -2.236261 logG= -0.661749 TDE= -4.399701 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.038818 tlogG= -0.623140 logG= -0.661958 Density= 3.417218 ETOT(band)= -1.567258 trlgG= -2.237159 logG= -0.661958 TDE= -4.400698 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038658 tlogG= -0.625827 logG= -0.664485 Density= 3.416399 ETOT(band)= -1.570038 trlgG= -2.241544 logG= -0.664485 TDE= -4.401879 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038743 tlogG= -0.627119 logG= -0.665862 Density= 3.416508 ETOT(band)= -1.570725 trlgG= -2.245451 logG= -0.665862 TDE= -4.404500 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039065 tlogG= -0.614232 logG= -0.653297 Density= 3.419170 ETOT(band)= -1.558878 trlgG= -2.221026 logG= -0.653297 TDE= -4.394840 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039240 tlogG= -0.613029 logG= -0.652270 Density= 3.419802 ETOT(band)= -1.557237 trlgG= -2.220648 logG= -0.652270 TDE= -4.396012 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039352 tlogG= -0.610524 logG= -0.649876 Density= 3.420797 ETOT(band)= -1.554481 trlgG= -2.216091 logG= -0.649876 TDE= -4.394671 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039301 tlogG= -0.612883 logG= -0.652184 Density= 3.420341 ETOT(band)= -1.556631 trlgG= -2.220120 logG= -0.652184 TDE= -4.396016 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038960 tlogG= -0.619923 logG= -0.658882 Density= 3.418313 ETOT(band)= -1.563914 trlgG= -2.230477 logG= -0.658882 TDE= -4.397998 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038869 tlogG= -0.620111 logG= -0.658979 Density= 3.417632 ETOT(band)= -1.564686 trlgG= -2.231367 logG= -0.658979 TDE= -4.398228 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038893 tlogG= -0.622428 logG= -0.661321 Density= 3.417954 ETOT(band)= -1.566130 trlgG= -2.234930 logG= -0.661321 TDE= -4.399715 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038968 tlogG= -0.617463 logG= -0.656431 Density= 3.418054 ETOT(band)= -1.562267 trlgG= -2.227300 logG= -0.656431 TDE= -4.397058 logGD-logG0= -0.039008 tlogG= -0.616782 logG= -0.655789 Density= 3.418808 ETOT(band)= -1.561166 trlgG= -2.224953 logG= -0.655789 TDE= -4.395976 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038850 tlogG= -0.624761 logG= -0.663611 Density= 3.417116 ETOT(band)= -1.568421 trlgG= -2.241304 logG= -0.663611 TDE= -4.403107 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038863 tlogG= -0.618247 logG= -0.657110 Density= 3.418002 ETOT(band)= -1.563055 trlgG= -2.227238 logG= -0.657110 TDE= -4.396274 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039128 tlogG= -0.615754 logG= -0.654882 Density= 3.419107 ETOT(band)= -1.559934 trlgG= -2.224718 logG= -0.654882 TDE= -4.396896 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.039075 tlogG= -0.617542 logG= -0.656617 Density= 3.419238 ETOT(band)= -1.561322 trlgG= -2.226191 logG= -0.656617 TDE= -4.396743 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039473 tlogG= -0.609732 logG= -0.649205 Density= 3.421392 ETOT(band)= -1.553264 trlgG= -2.215129 logG= -0.649205 TDE= -4.394873 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038795 tlogG= -0.625234 logG= -0.664029 Density= 3.417027 ETOT(band)= -1.568949 trlgG= -2.241364 logG= -0.664029 TDE= -4.402675 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038872 tlogG= -0.622684 logG= -0.661556 Density= 3.417311 ETOT(band)= -1.566749 trlgG= -2.237058 logG= -0.661556 TDE= -4.401077 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038769 tlogG= -0.620737 logG= -0.659506 Density= 3.417198 ETOT(band)= -1.565661 trlgG= -2.232064 logG= -0.659506 TDE= -4.398040 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038736 tlogG= -0.625366 logG= -0.664102 Density= 3.416584 ETOT(band)= -1.569469 trlgG= -2.241952 logG= -0.664102 TDE= -4.402824 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038922 tlogG= -0.619671 logG= -0.658593 Density= 3.417691 ETOT(band)= -1.564217 trlgG= -2.230957 logG= -0.658593 TDE= -4.398254 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039078 tlogG= -0.617170 logG= -0.656248 Density= 3.419036 ETOT(band)= -1.561077 trlgG= -2.226274 logG= -0.656248 TDE= -4.397027 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038885 tlogG= -0.622103 logG= -0.660988 Density= 3.417688 ETOT(band)= -1.565988 trlgG= -2.235235 logG= -0.660988 TDE= -4.400134 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038978 tlogG= -0.620312 logG= -0.659291 Density= 3.418765 ETOT(band)= -1.563878 trlgG= -2.229907 logG= -0.659291 TDE= -4.397393 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039159 tlogG= -0.614069 logG= -0.653228 Density= 3.419838 ETOT(band)= -1.558187 trlgG= -2.220361 logG= -0.653228 TDE= -4.394797 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038928 tlogG= -0.620107 logG= -0.659035 Density= 3.418235 ETOT(band)= -1.564028 trlgG= -2.230212 logG= -0.659035 TDE= -4.397515 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038744 tlogG= -0.622733 logG= -0.661477 Density= 3.416855 ETOT(band)= -1.567390 trlgG= -2.236353 logG= -0.661477 TDE= -4.400074 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038917 tlogG= -0.617869 logG= -0.656786 Density= 3.418027 ETOT(band)= -1.562676 trlgG= -2.227427 logG= -0.656786 TDE= -4.396807 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039231 tlogG= -0.611241 logG= -0.650473 Density= 3.420235 ETOT(band)= -1.555590 trlgG= -2.216127 logG= -0.650473 TDE= -4.393647 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 Sum of eigenvalues= -1021.33843859361 eV TrLogG= -1457.79757689259 eV Ratio to renormalize= 0.999559541289 rho-rho_expected= 0.072267059237 nargs= 1 argi=dmft2.def 43) Finished k-point number 44 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 15) Finished k-point number 16 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 19) Finished k-point number 20 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 34) Finished k-point number 35 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 7) Finished k-point number 8 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800694397247945 0.802319336917851 0.802622398996884 0.800264497760899 0.802858946993791 0.802578645954316 0.800989289509548 0.802183940423038 0.802722457332062 0.800902243456442 0.802387479184175 0.802624719624511 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038841 tlogG= -0.626523 logG= -0.665364 Density= 3.416833 ETOT(band)= -1.569915 trlgG= -2.245072 logG= -0.665364 TDE= -4.404887 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=117 logGD-logG0= -0.038743 tlogG= -0.627117 logG= -0.665860 Density= 3.416510 ETOT(band)= -1.570726 trlgG= -2.245451 logG= -0.665860 TDE= -4.404503 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038748 tlogG= -0.625677 logG= -0.664424 Density= 3.416970 ETOT(band)= -1.569425 trlgG= -2.240830 logG= -0.664424 TDE= -4.401699 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039078 tlogG= -0.617168 logG= -0.656246 Density= 3.419037 ETOT(band)= -1.561078 trlgG= -2.226275 logG= -0.656246 TDE= -4.397031 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038940 tlogG= -0.620297 logG= -0.659237 Density= 3.418431 ETOT(band)= -1.564209 trlgG= -2.230375 logG= -0.659237 TDE= -4.397639 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039229 tlogG= -0.613482 logG= -0.652711 Density= 3.420077 ETOT(band)= -1.557429 trlgG= -2.220586 logG= -0.652711 TDE= -4.395736 logGD-logG0= -0.038742 tlogG= -0.620978 logG= -0.659721 Density= 3.417344 ETOT(band)= -1.565780 trlgG= -2.232243 logG= -0.659721 TDE= -4.398124 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038816 tlogG= -0.624864 logG= -0.663680 Density= 3.416789 ETOT(band)= -1.568844 trlgG= -2.241782 logG= -0.663680 TDE= -4.403245 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039066 tlogG= -0.616268 logG= -0.655334 Density= 3.418943 ETOT(band)= -1.560564 trlgG= -2.225046 logG= -0.655334 TDE= -4.396636 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038768 tlogG= -0.623577 logG= -0.662345 Density= 3.417168 ETOT(band)= -1.567724 trlgG= -2.237128 logG= -0.662345 TDE= -4.400240 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038651 tlogG= -0.627673 logG= -0.666323 Density= 3.416224 ETOT(band)= -1.571470 trlgG= -2.245040 logG= -0.666323 TDE= -4.403393 logGD-logG0= -0.038745 tlogG= -0.622730 logG= -0.661475 Density= 3.416856 ETOT(band)= -1.567392 trlgG= -2.236354 logG= -0.661475 TDE= -4.400077 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038815 tlogG= -0.620507 logG= -0.659323 Density= 3.417589 ETOT(band)= -1.565099 trlgG= -2.231392 logG= -0.659323 TDE= -4.397874 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038801 tlogG= -0.622362 logG= -0.661163 Density= 3.416878 ETOT(band)= -1.567032 trlgG= -2.236439 logG= -0.661163 TDE= -4.400493 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039008 tlogG= -0.616780 logG= -0.655788 Density= 3.418809 ETOT(band)= -1.561167 trlgG= -2.224953 logG= -0.655788 TDE= -4.395979 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038979 tlogG= -0.619505 logG= -0.658484 Density= 3.418232 ETOT(band)= -1.563557 trlgG= -2.230252 logG= -0.658484 TDE= -4.398104 logGD-logG0= -0.038864 tlogG= -0.618245 logG= -0.657109 Density= 3.418003 ETOT(band)= -1.563057 trlgG= -2.227239 logG= -0.657109 TDE= -4.396277 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038907 tlogG= -0.622707 logG= -0.661614 Density= 3.418261 ETOT(band)= -1.566201 trlgG= -2.234442 logG= -0.661614 TDE= -4.399188 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039066 tlogG= -0.614230 logG= -0.653295 Density= 3.419171 ETOT(band)= -1.558879 trlgG= -2.221026 logG= -0.653295 TDE= -4.394844 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038803 tlogG= -0.620480 logG= -0.659283 Density= 3.417065 ETOT(band)= -1.565529 trlgG= -2.232025 logG= -0.659283 TDE= -4.398113 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038873 tlogG= -0.622682 logG= -0.661554 Density= 3.417313 ETOT(band)= -1.566750 trlgG= -2.237058 logG= -0.661554 TDE= -4.401081 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038960 tlogG= -0.619921 logG= -0.658881 Density= 3.418314 ETOT(band)= -1.563916 trlgG= -2.230477 logG= -0.658881 TDE= -4.398001 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039075 tlogG= -0.617540 logG= -0.656615 Density= 3.419240 ETOT(band)= -1.561324 trlgG= -2.226192 logG= -0.656615 TDE= -4.396746 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038894 tlogG= -0.622426 logG= -0.661319 Density= 3.417955 ETOT(band)= -1.566132 trlgG= -2.234930 logG= -0.661319 TDE= -4.399718 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038922 tlogG= -0.619668 logG= -0.658591 Density= 3.417693 ETOT(band)= -1.564218 trlgG= -2.230958 logG= -0.658591 TDE= -4.398257 logGD-logG0= -0.039302 tlogG= -0.612881 logG= -0.652183 Density= 3.420343 ETOT(band)= -1.556632 trlgG= -2.220121 logG= -0.652183 TDE= -4.396019 logGD-logG0= -0.038885 tlogG= -0.622101 logG= -0.660986 Density= 3.417690 ETOT(band)= -1.565989 trlgG= -2.235236 logG= -0.660986 TDE= -4.400137 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038850 tlogG= -0.624759 logG= -0.663609 Density= 3.417118 ETOT(band)= -1.568422 trlgG= -2.241304 logG= -0.663609 TDE= -4.403110 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038695 tlogG= -0.623052 logG= -0.661747 Density= 3.416847 ETOT(band)= -1.567692 trlgG= -2.236260 logG= -0.661747 TDE= -4.399704 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.039153 tlogG= -0.613643 logG= -0.652796 Density= 3.419488 ETOT(band)= -1.558075 trlgG= -2.221187 logG= -0.652796 TDE= -4.395767 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038929 tlogG= -0.620104 logG= -0.659033 Density= 3.418236 ETOT(band)= -1.564030 trlgG= -2.230212 logG= -0.659033 TDE= -4.397519 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038737 tlogG= -0.625364 logG= -0.664100 Density= 3.416585 ETOT(band)= -1.569471 trlgG= -2.241953 logG= -0.664100 TDE= -4.402827 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038969 tlogG= -0.617460 logG= -0.656429 Density= 3.418055 ETOT(band)= -1.562268 trlgG= -2.227300 logG= -0.656429 TDE= -4.397061 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039037 tlogG= -0.620506 logG= -0.659543 Density= 3.419350 ETOT(band)= -1.563687 trlgG= -2.229593 logG= -0.659543 TDE= -4.397310 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038796 tlogG= -0.625232 logG= -0.664027 Density= 3.417029 ETOT(band)= -1.568950 trlgG= -2.241365 logG= -0.664027 TDE= -4.402679 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039353 tlogG= -0.610522 logG= -0.649875 Density= 3.420798 ETOT(band)= -1.554483 trlgG= -2.216091 logG= -0.649875 TDE= -4.394675 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038659 tlogG= -0.625825 logG= -0.664484 Density= 3.416400 ETOT(band)= -1.570039 trlgG= -2.241544 logG= -0.664484 TDE= -4.401882 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038918 tlogG= -0.617867 logG= -0.656785 Density= 3.418029 ETOT(band)= -1.562677 trlgG= -2.227427 logG= -0.656785 TDE= -4.396811 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039128 tlogG= -0.615752 logG= -0.654880 Density= 3.419109 ETOT(band)= -1.559935 trlgG= -2.224719 logG= -0.654880 TDE= -4.396900 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038819 tlogG= -0.623138 logG= -0.661957 Density= 3.417219 ETOT(band)= -1.567259 trlgG= -2.237159 logG= -0.661957 TDE= -4.400702 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038979 tlogG= -0.620310 logG= -0.659289 Density= 3.418766 ETOT(band)= -1.563880 trlgG= -2.229907 logG= -0.659289 TDE= -4.397396 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039241 tlogG= -0.613027 logG= -0.652268 Density= 3.419804 ETOT(band)= -1.557238 trlgG= -2.220648 logG= -0.652268 TDE= -4.396016 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039077 tlogG= -0.617894 logG= -0.656971 Density= 3.419467 ETOT(band)= -1.561531 trlgG= -2.225772 logG= -0.656971 TDE= -4.396159 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039473 tlogG= -0.609730 logG= -0.649204 Density= 3.421394 ETOT(band)= -1.553265 trlgG= -2.215130 logG= -0.649204 TDE= -4.394877 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039232 tlogG= -0.611239 logG= -0.650471 Density= 3.420236 ETOT(band)= -1.555592 trlgG= -2.216128 logG= -0.650471 TDE= -4.393650 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038869 tlogG= -0.620108 logG= -0.658978 Density= 3.417634 ETOT(band)= -1.564687 trlgG= -2.231367 logG= -0.658978 TDE= -4.398231 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039159 tlogG= -0.614067 logG= -0.653226 Density= 3.419839 ETOT(band)= -1.558189 trlgG= -2.220362 logG= -0.653226 TDE= -4.394800 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038769 tlogG= -0.620735 logG= -0.659504 Density= 3.417200 ETOT(band)= -1.565663 trlgG= -2.232065 logG= -0.659504 TDE= -4.398043 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1021.33947073241 eV TrLogG= -1457.79861048233 eV Ratio to renormalize= 0.999559093380 rho-rho_expected= 0.072340581129 nargs= 1 argi=dmft2.def 39) Finished k-point number 40 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 35) Finished k-point number 36 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 3) Finished k-point number 4 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 21) Finished k-point number 22 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800699349282192 0.802324221595767 0.802627557687341 0.800269488955593 0.802863756225809 0.802583821907793 0.800994242896695 0.802188761897655 0.802727663532532 0.800907166764654 0.802392344275325 0.802629906759642 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038817 tlogG= -0.620506 logG= -0.659323 Density= 3.417592 ETOT(band)= -1.565106 trlgG= -2.231398 logG= -0.659323 TDE= -4.397883 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038924 tlogG= -0.619667 logG= -0.658591 Density= 3.417696 ETOT(band)= -1.564224 trlgG= -2.230964 logG= -0.658591 TDE= -4.398266 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038820 tlogG= -0.623137 logG= -0.661957 Density= 3.417223 ETOT(band)= -1.567265 trlgG= -2.237166 logG= -0.661957 TDE= -4.400711 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038941 tlogG= -0.620296 logG= -0.659237 Density= 3.418434 ETOT(band)= -1.564215 trlgG= -2.230382 logG= -0.659237 TDE= -4.397648 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038817 tlogG= -0.624863 logG= -0.663680 Density= 3.416792 ETOT(band)= -1.568850 trlgG= -2.241788 logG= -0.663680 TDE= -4.403255 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038895 tlogG= -0.622425 logG= -0.661320 Density= 3.417959 ETOT(band)= -1.566138 trlgG= -2.234937 logG= -0.661320 TDE= -4.399728 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039067 tlogG= -0.616267 logG= -0.655334 Density= 3.418946 ETOT(band)= -1.560570 trlgG= -2.225053 logG= -0.655334 TDE= -4.396646 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039009 tlogG= -0.616779 logG= -0.655788 Density= 3.418813 ETOT(band)= -1.561174 trlgG= -2.224960 logG= -0.655788 TDE= -4.395989 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038744 tlogG= -0.620977 logG= -0.659721 Density= 3.417348 ETOT(band)= -1.565786 trlgG= -2.232248 logG= -0.659721 TDE= -4.398132 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=130 logGD-logG0= -0.039154 tlogG= -0.613642 logG= -0.652796 Density= 3.419492 ETOT(band)= -1.558081 trlgG= -2.221195 logG= -0.652796 TDE= -4.395777 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038908 tlogG= -0.622706 logG= -0.661614 Density= 3.418264 ETOT(band)= -1.566207 trlgG= -2.234448 logG= -0.661614 TDE= -4.399197 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038842 tlogG= -0.626522 logG= -0.665364 Density= 3.416837 ETOT(band)= -1.569922 trlgG= -2.245078 logG= -0.665364 TDE= -4.404897 logGD-logG0= -0.038804 tlogG= -0.620479 logG= -0.659283 Density= 3.417068 ETOT(band)= -1.565536 trlgG= -2.232031 logG= -0.659283 TDE= -4.398122 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038652 tlogG= -0.627671 logG= -0.666324 Density= 3.416228 ETOT(band)= -1.571476 trlgG= -2.245047 logG= -0.666324 TDE= -4.403402 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038887 tlogG= -0.622100 logG= -0.660986 Density= 3.417694 ETOT(band)= -1.565996 trlgG= -2.235242 logG= -0.660986 TDE= -4.400147 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039233 tlogG= -0.611238 logG= -0.650471 Density= 3.420240 ETOT(band)= -1.555598 trlgG= -2.216135 logG= -0.650471 TDE= -4.393660 logGD-logG0= -0.039242 tlogG= -0.613026 logG= -0.652268 Density= 3.419808 ETOT(band)= -1.557245 trlgG= -2.220655 logG= -0.652268 TDE= -4.396026 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038865 tlogG= -0.618244 logG= -0.657109 Density= 3.418007 ETOT(band)= -1.563063 trlgG= -2.227245 logG= -0.657109 TDE= -4.396287 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038961 tlogG= -0.619920 logG= -0.658881 Density= 3.418318 ETOT(band)= -1.563922 trlgG= -2.230484 logG= -0.658881 TDE= -4.398010 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038746 tlogG= -0.622729 logG= -0.661475 Density= 3.416860 ETOT(band)= -1.567398 trlgG= -2.236360 logG= -0.661475 TDE= -4.400087 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038802 tlogG= -0.622361 logG= -0.661163 Density= 3.416881 ETOT(band)= -1.567038 trlgG= -2.236446 logG= -0.661163 TDE= -4.400502 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038919 tlogG= -0.617866 logG= -0.656785 Density= 3.418032 ETOT(band)= -1.562684 trlgG= -2.227434 logG= -0.656785 TDE= -4.396821 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039038 tlogG= -0.620505 logG= -0.659543 Density= 3.419354 ETOT(band)= -1.563693 trlgG= -2.229599 logG= -0.659543 TDE= -4.397319 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039078 tlogG= -0.617893 logG= -0.656971 Density= 3.419471 ETOT(band)= -1.561537 trlgG= -2.225779 logG= -0.656971 TDE= -4.396168 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038870 tlogG= -0.620107 logG= -0.658978 Density= 3.417637 ETOT(band)= -1.564694 trlgG= -2.231373 logG= -0.658978 TDE= -4.398240 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039230 tlogG= -0.613481 logG= -0.652711 Density= 3.420081 ETOT(band)= -1.557435 trlgG= -2.220593 logG= -0.652711 TDE= -4.395747 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039303 tlogG= -0.612880 logG= -0.652183 Density= 3.420346 ETOT(band)= -1.556638 trlgG= -2.220128 logG= -0.652183 TDE= -4.396030 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038980 tlogG= -0.619504 logG= -0.658484 Density= 3.418236 ETOT(band)= -1.563563 trlgG= -2.230258 logG= -0.658484 TDE= -4.398114 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039161 tlogG= -0.614066 logG= -0.653227 Density= 3.419843 ETOT(band)= -1.558195 trlgG= -2.220369 logG= -0.653227 TDE= -4.394811 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038749 tlogG= -0.625676 logG= -0.664424 Density= 3.416974 ETOT(band)= -1.569432 trlgG= -2.240837 logG= -0.664424 TDE= -4.401708 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039079 tlogG= -0.617167 logG= -0.656246 Density= 3.419041 ETOT(band)= -1.561084 trlgG= -2.226282 logG= -0.656246 TDE= -4.397041 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038696 tlogG= -0.623051 logG= -0.661748 Density= 3.416851 ETOT(band)= -1.567698 trlgG= -2.236266 logG= -0.661748 TDE= -4.399713 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.038769 tlogG= -0.623576 logG= -0.662345 Density= 3.417172 ETOT(band)= -1.567730 trlgG= -2.237134 logG= -0.662345 TDE= -4.400249 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038738 tlogG= -0.625362 logG= -0.664100 Density= 3.416589 ETOT(band)= -1.569477 trlgG= -2.241959 logG= -0.664100 TDE= -4.402837 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038745 tlogG= -0.627116 logG= -0.665860 Density= 3.416513 ETOT(band)= -1.570732 trlgG= -2.245457 logG= -0.665860 TDE= -4.404512 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.039354 tlogG= -0.610521 logG= -0.649875 Density= 3.420802 ETOT(band)= -1.554489 trlgG= -2.216099 logG= -0.649875 TDE= -4.394685 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038797 tlogG= -0.625231 logG= -0.664027 Density= 3.417033 ETOT(band)= -1.568957 trlgG= -2.241371 logG= -0.664027 TDE= -4.402688 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038874 tlogG= -0.622681 logG= -0.661554 Density= 3.417317 ETOT(band)= -1.566756 trlgG= -2.237065 logG= -0.661554 TDE= -4.401090 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039067 tlogG= -0.614229 logG= -0.653295 Density= 3.419175 ETOT(band)= -1.558886 trlgG= -2.221034 logG= -0.653295 TDE= -4.394854 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039129 tlogG= -0.615751 logG= -0.654880 Density= 3.419113 ETOT(band)= -1.559941 trlgG= -2.224726 logG= -0.654880 TDE= -4.396910 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038930 tlogG= -0.620103 logG= -0.659033 Density= 3.418240 ETOT(band)= -1.564036 trlgG= -2.230218 logG= -0.659033 TDE= -4.397528 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038770 tlogG= -0.620734 logG= -0.659504 Density= 3.417203 ETOT(band)= -1.565669 trlgG= -2.232071 logG= -0.659504 TDE= -4.398052 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039474 tlogG= -0.609729 logG= -0.649204 Density= 3.421398 ETOT(band)= -1.553271 trlgG= -2.215137 logG= -0.649204 TDE= -4.394887 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038970 tlogG= -0.617459 logG= -0.656429 Density= 3.418059 ETOT(band)= -1.562275 trlgG= -2.227307 logG= -0.656429 TDE= -4.397071 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038851 tlogG= -0.624758 logG= -0.663609 Density= 3.417122 ETOT(band)= -1.568428 trlgG= -2.241310 logG= -0.663609 TDE= -4.403120 logGD-logG0= -0.038980 tlogG= -0.620309 logG= -0.659289 Density= 3.418770 ETOT(band)= -1.563886 trlgG= -2.229913 logG= -0.659289 TDE= -4.397405 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038660 tlogG= -0.625824 logG= -0.664484 Density= 3.416404 ETOT(band)= -1.570045 trlgG= -2.241550 logG= -0.664484 TDE= -4.401891 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039076 tlogG= -0.617539 logG= -0.656615 Density= 3.419243 ETOT(band)= -1.561330 trlgG= -2.226199 logG= -0.656615 TDE= -4.396756 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 Sum of eigenvalues= -1021.34354161027 eV TrLogG= -1457.80494311756 eV Ratio to renormalize= 0.999557993151 rho-rho_expected= 0.072521178032 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 10) Finished k-point number 11 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 24) Finished k-point number 25 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 34) Finished k-point number 35 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800688257417470 0.802313092994938 0.802619568645596 0.800258234077300 0.802852890680971 0.802575756167379 0.800983109075259 0.802177809877033 0.802719531964692 0.800896094373475 0.802381296169068 0.802621855085415 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038746 tlogG= -0.625671 logG= -0.664416 Density= 3.416965 ETOT(band)= -1.569416 trlgG= -2.240813 logG= -0.664416 TDE= -4.401686 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038766 tlogG= -0.623571 logG= -0.662337 Density= 3.417163 ETOT(band)= -1.567714 trlgG= -2.237111 logG= -0.662337 TDE= -4.400227 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038814 tlogG= -0.624858 logG= -0.663672 Density= 3.416784 ETOT(band)= -1.568834 trlgG= -2.241765 logG= -0.663672 TDE= -4.403231 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038939 tlogG= -0.620290 logG= -0.659229 Density= 3.418425 ETOT(band)= -1.564199 trlgG= -2.230358 logG= -0.659229 TDE= -4.397625 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038884 tlogG= -0.622095 logG= -0.660979 Density= 3.417685 ETOT(band)= -1.565980 trlgG= -2.235219 logG= -0.660979 TDE= -4.400124 logGD-logG0= -0.039300 tlogG= -0.612875 logG= -0.652175 Density= 3.420337 ETOT(band)= -1.556623 trlgG= -2.220103 logG= -0.652175 TDE= -4.396004 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039075 tlogG= -0.617888 logG= -0.656963 Density= 3.419462 ETOT(band)= -1.561521 trlgG= -2.225755 logG= -0.656963 TDE= -4.396145 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038862 tlogG= -0.618239 logG= -0.657101 Density= 3.417998 ETOT(band)= -1.563047 trlgG= -2.227221 logG= -0.657101 TDE= -4.396263 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039006 tlogG= -0.616774 logG= -0.655780 Density= 3.418804 ETOT(band)= -1.561158 trlgG= -2.224936 logG= -0.655780 TDE= -4.395965 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038814 tlogG= -0.620501 logG= -0.659315 Density= 3.417584 ETOT(band)= -1.565090 trlgG= -2.231376 logG= -0.659315 TDE= -4.397861 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038921 tlogG= -0.619663 logG= -0.658583 Density= 3.417687 ETOT(band)= -1.564209 trlgG= -2.230941 logG= -0.658583 TDE= -4.398244 logGD-logG0= -0.038977 tlogG= -0.619499 logG= -0.658476 Density= 3.418227 ETOT(band)= -1.563547 trlgG= -2.230235 logG= -0.658476 TDE= -4.398090 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038892 tlogG= -0.622420 logG= -0.661312 Density= 3.417950 ETOT(band)= -1.566122 trlgG= -2.234913 logG= -0.661312 TDE= -4.399705 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038839 tlogG= -0.626517 logG= -0.665356 Density= 3.416828 ETOT(band)= -1.569906 trlgG= -2.245055 logG= -0.665356 TDE= -4.404874 logGD-logG0= -0.038743 tlogG= -0.622724 logG= -0.661468 Density= 3.416851 ETOT(band)= -1.567382 trlgG= -2.236337 logG= -0.661468 TDE= -4.400064 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039064 tlogG= -0.616262 logG= -0.655326 Density= 3.418937 ETOT(band)= -1.560554 trlgG= -2.225028 logG= -0.655326 TDE= -4.396621 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039151 tlogG= -0.613637 logG= -0.652788 Density= 3.419483 ETOT(band)= -1.558066 trlgG= -2.221169 logG= -0.652788 TDE= -4.395752 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038741 tlogG= -0.620972 logG= -0.659713 Density= 3.417339 ETOT(band)= -1.565771 trlgG= -2.232227 logG= -0.659713 TDE= -4.398111 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.039076 tlogG= -0.617162 logG= -0.656239 Density= 3.419032 ETOT(band)= -1.561069 trlgG= -2.226257 logG= -0.656239 TDE= -4.397016 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038801 tlogG= -0.620474 logG= -0.659276 Density= 3.417059 ETOT(band)= -1.565520 trlgG= -2.232009 logG= -0.659276 TDE= -4.398100 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038867 tlogG= -0.620102 logG= -0.658970 Density= 3.417628 ETOT(band)= -1.564678 trlgG= -2.231351 logG= -0.658970 TDE= -4.398218 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039158 tlogG= -0.614061 logG= -0.653219 Density= 3.419833 ETOT(band)= -1.558180 trlgG= -2.220344 logG= -0.653219 TDE= -4.394786 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039228 tlogG= -0.613476 logG= -0.652704 Density= 3.420072 ETOT(band)= -1.557419 trlgG= -2.220568 logG= -0.652704 TDE= -4.395721 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038817 tlogG= -0.623132 logG= -0.661949 Density= 3.417214 ETOT(band)= -1.567250 trlgG= -2.237142 logG= -0.661949 TDE= -4.400688 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038649 tlogG= -0.627666 logG= -0.666316 Density= 3.416219 ETOT(band)= -1.571460 trlgG= -2.245023 logG= -0.666316 TDE= -4.403380 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=126 logGD-logG0= -0.039035 tlogG= -0.620500 logG= -0.659535 Density= 3.419345 ETOT(band)= -1.563677 trlgG= -2.229576 logG= -0.659535 TDE= -4.397298 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038799 tlogG= -0.622356 logG= -0.661155 Density= 3.416872 ETOT(band)= -1.567023 trlgG= -2.236422 logG= -0.661155 TDE= -4.400479 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038742 tlogG= -0.627111 logG= -0.665852 Density= 3.416505 ETOT(band)= -1.570717 trlgG= -2.245434 logG= -0.665852 TDE= -4.404489 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039126 tlogG= -0.615746 logG= -0.654873 Density= 3.419103 ETOT(band)= -1.559926 trlgG= -2.224701 logG= -0.654873 TDE= -4.396885 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038959 tlogG= -0.619914 logG= -0.658873 Density= 3.418309 ETOT(band)= -1.563906 trlgG= -2.230460 logG= -0.658873 TDE= -4.397987 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039230 tlogG= -0.611233 logG= -0.650463 Density= 3.420231 ETOT(band)= -1.555583 trlgG= -2.216110 logG= -0.650463 TDE= -4.393635 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038693 tlogG= -0.623046 logG= -0.661740 Density= 3.416842 ETOT(band)= -1.567683 trlgG= -2.236244 logG= -0.661740 TDE= -4.399691 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038905 tlogG= -0.622701 logG= -0.661606 Density= 3.418256 ETOT(band)= -1.566191 trlgG= -2.234425 logG= -0.661606 TDE= -4.399175 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038871 tlogG= -0.622676 logG= -0.661546 Density= 3.417308 ETOT(band)= -1.566740 trlgG= -2.237041 logG= -0.661546 TDE= -4.401067 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038657 tlogG= -0.625819 logG= -0.664476 Density= 3.416395 ETOT(band)= -1.570030 trlgG= -2.241527 logG= -0.664476 TDE= -4.401869 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039239 tlogG= -0.613021 logG= -0.652261 Density= 3.419798 ETOT(band)= -1.557229 trlgG= -2.220630 logG= -0.652261 TDE= -4.396001 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038794 tlogG= -0.625225 logG= -0.664019 Density= 3.417024 ETOT(band)= -1.568941 trlgG= -2.241347 logG= -0.664019 TDE= -4.402665 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039073 tlogG= -0.617534 logG= -0.656607 Density= 3.419234 ETOT(band)= -1.561315 trlgG= -2.226174 logG= -0.656607 TDE= -4.396732 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038927 tlogG= -0.620098 logG= -0.659026 Density= 3.418231 ETOT(band)= -1.564020 trlgG= -2.230195 logG= -0.659026 TDE= -4.397505 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039064 tlogG= -0.614224 logG= -0.653288 Density= 3.419165 ETOT(band)= -1.558870 trlgG= -2.221009 logG= -0.653288 TDE= -4.394829 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038967 tlogG= -0.617455 logG= -0.656422 Density= 3.418050 ETOT(band)= -1.562259 trlgG= -2.227283 logG= -0.656422 TDE= -4.397047 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038735 tlogG= -0.625357 logG= -0.664092 Density= 3.416580 ETOT(band)= -1.569461 trlgG= -2.241936 logG= -0.664092 TDE= -4.402814 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038767 tlogG= -0.620729 logG= -0.659496 Density= 3.417194 ETOT(band)= -1.565654 trlgG= -2.232048 logG= -0.659496 TDE= -4.398030 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038848 tlogG= -0.624753 logG= -0.663601 Density= 3.417113 ETOT(band)= -1.568412 trlgG= -2.241287 logG= -0.663601 TDE= -4.403097 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039472 tlogG= -0.609725 logG= -0.649196 Density= 3.421388 ETOT(band)= -1.553256 trlgG= -2.215112 logG= -0.649196 TDE= -4.394862 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038977 tlogG= -0.620304 logG= -0.659281 Density= 3.418761 ETOT(band)= -1.563870 trlgG= -2.229890 logG= -0.659281 TDE= -4.397383 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038916 tlogG= -0.617861 logG= -0.656777 Density= 3.418023 ETOT(band)= -1.562668 trlgG= -2.227410 logG= -0.656777 TDE= -4.396796 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039351 tlogG= -0.610516 logG= -0.649867 Density= 3.420793 ETOT(band)= -1.554474 trlgG= -2.216074 logG= -0.649867 TDE= -4.394660 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1021.33331609756 eV TrLogG= -1457.78453519496 eV Ratio to renormalize= 0.999560625655 rho-rho_expected= 0.072089066709 nargs= 1 argi=dmft2.def 14) Finished k-point number 15 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 12) Finished k-point number 13 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 25) Finished k-point number 26 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 17) Finished k-point number 18 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 36) Finished k-point number 37 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 33) Finished k-point number 34 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800656084265065 0.802363888102865 0.802416688651585 0.800230451308908 0.802896983570313 0.802379561862559 0.800953537276680 0.802225316522189 0.802518173301414 0.800865525372202 0.802427394365915 0.802422881747599 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038832 tlogG= -0.626585 logG= -0.665417 Density= 3.416800 ETOT(band)= -1.569910 trlgG= -2.245107 logG= -0.665417 TDE= -4.404842 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039001 tlogG= -0.616836 logG= -0.655838 Density= 3.418789 ETOT(band)= -1.561148 trlgG= -2.224980 logG= -0.655838 TDE= -4.395939 logGD-logG0= -0.038953 tlogG= -0.619979 logG= -0.658932 Density= 3.418290 ETOT(band)= -1.563901 trlgG= -2.230508 logG= -0.658932 TDE= -4.397960 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038808 tlogG= -0.624924 logG= -0.663732 Density= 3.416757 ETOT(band)= -1.568836 trlgG= -2.241814 logG= -0.663732 TDE= -4.403198 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038808 tlogG= -0.620565 logG= -0.659373 Density= 3.417565 ETOT(band)= -1.565083 trlgG= -2.231422 logG= -0.659373 TDE= -4.397834 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038792 tlogG= -0.622421 logG= -0.661213 Density= 3.416848 ETOT(band)= -1.567021 trlgG= -2.236466 logG= -0.661213 TDE= -4.400444 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039146 tlogG= -0.613699 logG= -0.652845 Density= 3.419466 ETOT(band)= -1.558057 trlgG= -2.221208 logG= -0.652845 TDE= -4.395719 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039059 tlogG= -0.616326 logG= -0.655384 Density= 3.418919 ETOT(band)= -1.560547 trlgG= -2.225070 logG= -0.655384 TDE= -4.396590 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038740 tlogG= -0.625737 logG= -0.664477 Density= 3.416945 ETOT(band)= -1.569412 trlgG= -2.240866 logG= -0.664477 TDE= -4.401661 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038643 tlogG= -0.627733 logG= -0.666376 Density= 3.416197 ETOT(band)= -1.571460 trlgG= -2.245074 logG= -0.666376 TDE= -4.403351 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038737 tlogG= -0.622789 logG= -0.661526 Density= 3.416829 ETOT(band)= -1.567378 trlgG= -2.236380 logG= -0.661526 TDE= -4.400031 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038856 tlogG= -0.618301 logG= -0.657158 Density= 3.417981 ETOT(band)= -1.563038 trlgG= -2.227268 logG= -0.657158 TDE= -4.396239 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038915 tlogG= -0.619727 logG= -0.658642 Density= 3.417664 ETOT(band)= -1.564206 trlgG= -2.230987 logG= -0.658642 TDE= -4.398211 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038971 tlogG= -0.619564 logG= -0.658535 Density= 3.418204 ETOT(band)= -1.563545 trlgG= -2.230280 logG= -0.658535 TDE= -4.398059 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038795 tlogG= -0.620537 logG= -0.659332 Density= 3.417037 ETOT(band)= -1.565515 trlgG= -2.232056 logG= -0.659332 TDE= -4.398071 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038933 tlogG= -0.620354 logG= -0.659287 Density= 3.418409 ETOT(band)= -1.564191 trlgG= -2.230407 logG= -0.659287 TDE= -4.397603 logGD-logG0= -0.038760 tlogG= -0.623636 logG= -0.662396 Density= 3.417143 ETOT(band)= -1.567709 trlgG= -2.237161 logG= -0.662396 TDE= -4.400201 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038886 tlogG= -0.622485 logG= -0.661371 Density= 3.417931 ETOT(band)= -1.566118 trlgG= -2.234958 logG= -0.661371 TDE= -4.399674 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038735 tlogG= -0.621035 logG= -0.659770 Density= 3.417320 ETOT(band)= -1.565763 trlgG= -2.232277 logG= -0.659770 TDE= -4.398089 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.038687 tlogG= -0.623110 logG= -0.661797 Density= 3.416822 ETOT(band)= -1.567677 trlgG= -2.236297 logG= -0.661797 TDE= -4.399669 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.039120 tlogG= -0.615810 logG= -0.654931 Density= 3.419082 ETOT(band)= -1.559922 trlgG= -2.224745 logG= -0.654931 TDE= -4.396853 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039222 tlogG= -0.613539 logG= -0.652761 Density= 3.420056 ETOT(band)= -1.557410 trlgG= -2.220607 logG= -0.652761 TDE= -4.395690 logGD-logG0= -0.039059 tlogG= -0.614285 logG= -0.653344 Density= 3.419151 ETOT(band)= -1.558859 trlgG= -2.221046 logG= -0.653344 TDE= -4.394797 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038910 tlogG= -0.617923 logG= -0.656834 Density= 3.418004 ETOT(band)= -1.562661 trlgG= -2.227447 logG= -0.656834 TDE= -4.396762 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038842 tlogG= -0.624820 logG= -0.663662 Density= 3.417087 ETOT(band)= -1.568414 trlgG= -2.241336 logG= -0.663662 TDE= -4.403064 logGD-logG0= -0.039233 tlogG= -0.613084 logG= -0.652318 Density= 3.419778 ETOT(band)= -1.557223 trlgG= -2.220671 logG= -0.652318 TDE= -4.395969 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038921 tlogG= -0.620163 logG= -0.659084 Density= 3.418210 ETOT(band)= -1.564017 trlgG= -2.230236 logG= -0.659084 TDE= -4.397470 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039071 tlogG= -0.617226 logG= -0.656297 Density= 3.419011 ETOT(band)= -1.561065 trlgG= -2.226299 logG= -0.656297 TDE= -4.396982 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039225 tlogG= -0.611295 logG= -0.650520 Density= 3.420219 ETOT(band)= -1.555570 trlgG= -2.216144 logG= -0.650520 TDE= -4.393603 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038761 tlogG= -0.620792 logG= -0.659553 Density= 3.417174 ETOT(band)= -1.565647 trlgG= -2.232094 logG= -0.659553 TDE= -4.398002 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039466 tlogG= -0.609787 logG= -0.649253 Density= 3.421369 ETOT(band)= -1.553249 trlgG= -2.215153 logG= -0.649253 TDE= -4.394829 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038861 tlogG= -0.620166 logG= -0.659028 Density= 3.417608 ETOT(band)= -1.564673 trlgG= -2.231396 logG= -0.659028 TDE= -4.398189 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038788 tlogG= -0.625292 logG= -0.664080 Density= 3.417001 ETOT(band)= -1.568940 trlgG= -2.241395 logG= -0.664080 TDE= -4.402634 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038735 tlogG= -0.627178 logG= -0.665913 Density= 3.416480 ETOT(band)= -1.570718 trlgG= -2.245484 logG= -0.665913 TDE= -4.404458 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038961 tlogG= -0.617518 logG= -0.656479 Density= 3.418029 ETOT(band)= -1.562254 trlgG= -2.227322 logG= -0.656479 TDE= -4.397012 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038900 tlogG= -0.622766 logG= -0.661665 Density= 3.418239 ETOT(band)= -1.566184 trlgG= -2.234475 logG= -0.661665 TDE= -4.399152 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038972 tlogG= -0.620368 logG= -0.659340 Density= 3.418744 ETOT(band)= -1.563863 trlgG= -2.229936 logG= -0.659340 TDE= -4.397356 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038651 tlogG= -0.625885 logG= -0.664536 Density= 3.416373 ETOT(band)= -1.570027 trlgG= -2.241580 logG= -0.664536 TDE= -4.401844 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038865 tlogG= -0.622742 logG= -0.661606 Density= 3.417283 ETOT(band)= -1.566740 trlgG= -2.237089 logG= -0.661606 TDE= -4.401034 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.039294 tlogG= -0.612939 logG= -0.652233 Density= 3.420317 ETOT(band)= -1.556618 trlgG= -2.220145 logG= -0.652233 TDE= -4.395973 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039153 tlogG= -0.614123 logG= -0.653276 Density= 3.419821 ETOT(band)= -1.558167 trlgG= -2.220381 logG= -0.653276 TDE= -4.394755 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039068 tlogG= -0.617597 logG= -0.656665 Density= 3.419218 ETOT(band)= -1.561307 trlgG= -2.226213 logG= -0.656665 TDE= -4.396699 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038878 tlogG= -0.622160 logG= -0.661038 Density= 3.417662 ETOT(band)= -1.565979 trlgG= -2.235263 logG= -0.661038 TDE= -4.400090 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038729 tlogG= -0.625424 logG= -0.664152 Density= 3.416556 ETOT(band)= -1.569460 trlgG= -2.241983 logG= -0.664152 TDE= -4.402781 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038811 tlogG= -0.623197 logG= -0.662008 Density= 3.417192 ETOT(band)= -1.567247 trlgG= -2.237190 logG= -0.662008 TDE= -4.400658 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039346 tlogG= -0.610578 logG= -0.649924 Density= 3.420778 ETOT(band)= -1.554463 trlgG= -2.216110 logG= -0.649924 TDE= -4.394628 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039030 tlogG= -0.620564 logG= -0.659594 Density= 3.419332 ETOT(band)= -1.563667 trlgG= -2.229625 logG= -0.659594 TDE= -4.397277 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.039070 tlogG= -0.617951 logG= -0.657021 Density= 3.419449 ETOT(band)= -1.561511 trlgG= -2.225804 logG= -0.657021 TDE= -4.396126 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 Sum of eigenvalues= -1021.32989557495 eV TrLogG= -1457.80326836302 eV Ratio to renormalize= 0.999566426312 rho-rho_expected= 0.071136927977 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 1) Finished k-point number 2 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 10) Finished k-point number 11 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 22) Finished k-point number 23 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800653728967233 0.802362715184216 0.802415586732686 0.800228222355108 0.802895781705336 0.802378378515383 0.800951323575136 0.802224100937722 0.802516972298955 0.800863299630416 0.802426171972910 0.802421701740033 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039225 tlogG= -0.625736 logG= -0.664961 Density= 3.416800 ETOT(band)= -1.569526 trlgG= -2.241472 logG= -0.664961 TDE= -4.401663 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039340 tlogG= -0.618301 logG= -0.657641 Density= 3.417800 ETOT(band)= -1.563178 trlgG= -2.227903 logG= -0.657641 TDE= -4.396241 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039623 tlogG= -0.613700 logG= -0.653323 Density= 3.419211 ETOT(band)= -1.558248 trlgG= -2.221899 logG= -0.653323 TDE= -4.395721 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039383 tlogG= -0.622766 logG= -0.662148 Density= 3.418068 ETOT(band)= -1.566317 trlgG= -2.235102 logG= -0.662148 TDE= -4.399154 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039415 tlogG= -0.620355 logG= -0.659769 Density= 3.418221 ETOT(band)= -1.564336 trlgG= -2.231047 logG= -0.659769 TDE= -4.397605 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039435 tlogG= -0.619979 logG= -0.659414 Density= 3.418103 ETOT(band)= -1.564045 trlgG= -2.231146 logG= -0.659414 TDE= -4.397962 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039280 tlogG= -0.622419 logG= -0.661699 Density= 3.416712 ETOT(band)= -1.567126 trlgG= -2.237066 logG= -0.661699 TDE= -4.400446 logGD-logG0= -0.039274 tlogG= -0.625291 logG= -0.664564 Density= 3.416855 ETOT(band)= -1.569053 trlgG= -2.242002 logG= -0.664564 TDE= -4.402636 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.039370 tlogG= -0.622484 logG= -0.661854 Density= 3.417764 ETOT(band)= -1.566247 trlgG= -2.235581 logG= -0.661854 TDE= -4.399676 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039320 tlogG= -0.626583 logG= -0.665903 Density= 3.416661 ETOT(band)= -1.570016 trlgG= -2.245709 logG= -0.665903 TDE= -4.404844 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039245 tlogG= -0.623635 logG= -0.662880 Density= 3.416993 ETOT(band)= -1.567827 trlgG= -2.237772 logG= -0.662880 TDE= -4.400203 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039138 tlogG= -0.625883 logG= -0.665021 Density= 3.416244 ETOT(band)= -1.570129 trlgG= -2.242174 logG= -0.665021 TDE= -4.401846 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039480 tlogG= -0.616837 logG= -0.656317 Density= 3.418569 ETOT(band)= -1.561315 trlgG= -2.225643 logG= -0.656317 TDE= -4.395940 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039222 tlogG= -0.621034 logG= -0.660256 Density= 3.417177 ETOT(band)= -1.565876 trlgG= -2.232884 logG= -0.660256 TDE= -4.398091 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039222 tlogG= -0.627176 logG= -0.666399 Density= 3.416345 ETOT(band)= -1.570822 trlgG= -2.246082 logG= -0.666399 TDE= -4.404460 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.039400 tlogG= -0.619726 logG= -0.659126 Density= 3.417497 ETOT(band)= -1.564334 trlgG= -2.231612 logG= -0.659126 TDE= -4.398214 logGD-logG0= -0.039405 tlogG= -0.620163 logG= -0.659568 Density= 3.418034 ETOT(band)= -1.564154 trlgG= -2.230867 logG= -0.659568 TDE= -4.397472 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039549 tlogG= -0.617952 logG= -0.657500 Density= 3.419227 ETOT(band)= -1.561680 trlgG= -2.226469 logG= -0.657500 TDE= -4.396128 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039538 tlogG= -0.616326 logG= -0.655864 Density= 3.418696 ETOT(band)= -1.560716 trlgG= -2.225736 logG= -0.655864 TDE= -4.396592 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039295 tlogG= -0.624923 logG= -0.664218 Density= 3.416622 ETOT(band)= -1.568940 trlgG= -2.242413 logG= -0.664218 TDE= -4.403200 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039454 tlogG= -0.620368 logG= -0.659822 Density= 3.418560 ETOT(band)= -1.564007 trlgG= -2.230573 logG= -0.659822 TDE= -4.397358 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039939 tlogG= -0.609789 logG= -0.649728 Density= 3.421024 ETOT(band)= -1.553506 trlgG= -2.215914 logG= -0.649728 TDE= -4.394831 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039292 tlogG= -0.620564 logG= -0.659856 Density= 3.417400 ETOT(band)= -1.565211 trlgG= -2.232044 logG= -0.659856 TDE= -4.397836 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039130 tlogG= -0.627732 logG= -0.666861 Density= 3.416067 ETOT(band)= -1.571562 trlgG= -2.245669 logG= -0.666861 TDE= -4.403353 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.039536 tlogG= -0.614286 logG= -0.653822 Density= 3.418903 ETOT(band)= -1.559044 trlgG= -2.221730 logG= -0.653822 TDE= -4.394799 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039696 tlogG= -0.611297 logG= -0.650993 Density= 3.419908 ETOT(band)= -1.555798 trlgG= -2.216876 logG= -0.650993 TDE= -4.393605 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039283 tlogG= -0.620536 logG= -0.659818 Density= 3.416895 ETOT(band)= -1.565626 trlgG= -2.232661 logG= -0.659818 TDE= -4.398074 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039551 tlogG= -0.617227 logG= -0.656778 Density= 3.418795 ETOT(band)= -1.561230 trlgG= -2.226961 logG= -0.656778 TDE= -4.396984 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039771 tlogG= -0.612940 logG= -0.652710 Density= 3.420031 ETOT(band)= -1.556832 trlgG= -2.220861 logG= -0.652710 TDE= -4.395974 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039547 tlogG= -0.617598 logG= -0.657145 Density= 3.418999 ETOT(band)= -1.561474 trlgG= -2.226875 logG= -0.657145 TDE= -4.396701 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039328 tlogG= -0.624819 logG= -0.664147 Density= 3.416940 ETOT(band)= -1.568528 trlgG= -2.241945 logG= -0.664147 TDE= -4.403066 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039346 tlogG= -0.620166 logG= -0.659512 Density= 3.417441 ETOT(band)= -1.564801 trlgG= -2.232020 logG= -0.659512 TDE= -4.398191 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039394 tlogG= -0.617923 logG= -0.657317 Density= 3.417822 ETOT(band)= -1.562801 trlgG= -2.228083 logG= -0.657317 TDE= -4.396763 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039297 tlogG= -0.623196 logG= -0.662493 Density= 3.417040 ETOT(band)= -1.567365 trlgG= -2.237802 logG= -0.662493 TDE= -4.400660 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039350 tlogG= -0.622740 logG= -0.662091 Density= 3.417130 ETOT(band)= -1.566858 trlgG= -2.237702 logG= -0.662091 TDE= -4.401036 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039601 tlogG= -0.615810 logG= -0.655411 Density= 3.418855 ETOT(band)= -1.560093 trlgG= -2.225414 logG= -0.655411 TDE= -4.396855 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039454 tlogG= -0.619564 logG= -0.659018 Density= 3.418018 ETOT(band)= -1.563688 trlgG= -2.230919 logG= -0.659018 TDE= -4.398061 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039362 tlogG= -0.622160 logG= -0.661522 Density= 3.417500 ETOT(band)= -1.566105 trlgG= -2.235883 logG= -0.661522 TDE= -4.400092 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039511 tlogG= -0.620564 logG= -0.660075 Density= 3.419138 ETOT(band)= -1.563818 trlgG= -2.230269 logG= -0.660075 TDE= -4.397279 logGD-logG0= -0.039175 tlogG= -0.623109 logG= -0.662284 Density= 3.416688 ETOT(band)= -1.567783 trlgG= -2.236896 logG= -0.662284 TDE= -4.399672 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039627 tlogG= -0.614125 logG= -0.653752 Density= 3.419550 ETOT(band)= -1.558370 trlgG= -2.221082 logG= -0.653752 TDE= -4.394757 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039818 tlogG= -0.610580 logG= -0.650398 Density= 3.420453 ETOT(band)= -1.554703 trlgG= -2.216854 logG= -0.650398 TDE= -4.394629 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.039698 tlogG= -0.613540 logG= -0.653238 Density= 3.419780 ETOT(band)= -1.557617 trlgG= -2.221314 logG= -0.653238 TDE= -4.395692 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039249 tlogG= -0.620790 logG= -0.660039 Density= 3.417031 ETOT(band)= -1.565760 trlgG= -2.232700 logG= -0.660039 TDE= -4.398004 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039225 tlogG= -0.622787 logG= -0.662012 Density= 3.416694 ETOT(band)= -1.567485 trlgG= -2.236981 logG= -0.662012 TDE= -4.400033 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039216 tlogG= -0.625422 logG= -0.664638 Density= 3.416424 ETOT(band)= -1.569564 trlgG= -2.242580 logG= -0.664638 TDE= -4.402783 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039445 tlogG= -0.617517 logG= -0.656962 Density= 3.417847 ETOT(band)= -1.562393 trlgG= -2.227958 logG= -0.656962 TDE= -4.397014 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039712 tlogG= -0.613085 logG= -0.652797 Density= 3.419516 ETOT(band)= -1.557420 trlgG= -2.221369 logG= -0.652797 TDE= -4.395970 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 Sum of eigenvalues= -1021.42453297514 eV TrLogG= -1458.11952097856 eV Ratio to renormalize= 0.999621792034 rho-rho_expected= 0.062049574107 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 29) Finished k-point number 30 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 5) Finished k-point number 6 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800653088948185 0.802361138717202 0.802416497932220 0.800227549879985 0.802894267818166 0.802379258029658 0.800950688224065 0.802222529633428 0.802517867425536 0.800862665495334 0.802424613569276 0.802422602496845 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039130 tlogG= -0.627728 logG= -0.666857 Density= 3.416066 ETOT(band)= -1.571555 trlgG= -2.245658 logG= -0.666857 TDE= -4.403345 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.039280 tlogG= -0.622415 logG= -0.661695 Density= 3.416711 ETOT(band)= -1.567119 trlgG= -2.237055 logG= -0.661695 TDE= -4.400439 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039248 tlogG= -0.620786 logG= -0.660035 Density= 3.417030 ETOT(band)= -1.565753 trlgG= -2.232690 logG= -0.660035 TDE= -4.397997 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039282 tlogG= -0.620532 logG= -0.659814 Density= 3.416894 ETOT(band)= -1.565619 trlgG= -2.232650 logG= -0.659814 TDE= -4.398066 logGD-logG0= -0.039400 tlogG= -0.619722 logG= -0.659122 Density= 3.417496 ETOT(band)= -1.564327 trlgG= -2.231601 logG= -0.659122 TDE= -4.398206 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039538 tlogG= -0.616322 logG= -0.655860 Density= 3.418695 ETOT(band)= -1.560709 trlgG= -2.225725 logG= -0.655860 TDE= -4.396584 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039245 tlogG= -0.623631 logG= -0.662876 Density= 3.416992 ETOT(band)= -1.567820 trlgG= -2.237761 logG= -0.662876 TDE= -4.400196 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039627 tlogG= -0.614121 logG= -0.653748 Density= 3.419550 ETOT(band)= -1.558363 trlgG= -2.221071 logG= -0.653748 TDE= -4.394749 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039319 tlogG= -0.626580 logG= -0.665899 Density= 3.416660 ETOT(band)= -1.570009 trlgG= -2.245698 logG= -0.665899 TDE= -4.404836 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039696 tlogG= -0.611293 logG= -0.650989 Density= 3.419907 ETOT(band)= -1.555792 trlgG= -2.216865 logG= -0.650989 TDE= -4.393597 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039536 tlogG= -0.614282 logG= -0.653818 Density= 3.418902 ETOT(band)= -1.559038 trlgG= -2.221719 logG= -0.653818 TDE= -4.394792 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039295 tlogG= -0.624919 logG= -0.664214 Density= 3.416621 ETOT(band)= -1.568933 trlgG= -2.242403 logG= -0.664214 TDE= -4.403193 logGD-logG0= -0.039770 tlogG= -0.612936 logG= -0.652706 Density= 3.420030 ETOT(band)= -1.556825 trlgG= -2.220850 logG= -0.652706 TDE= -4.395967 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039222 tlogG= -0.621030 logG= -0.660252 Density= 3.417176 ETOT(band)= -1.565870 trlgG= -2.232873 logG= -0.660252 TDE= -4.398084 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039435 tlogG= -0.619975 logG= -0.659410 Density= 3.418102 ETOT(band)= -1.564038 trlgG= -2.231135 logG= -0.659410 TDE= -4.397955 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039216 tlogG= -0.625418 logG= -0.664634 Density= 3.416423 ETOT(band)= -1.569557 trlgG= -2.242569 logG= -0.664634 TDE= -4.402775 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039712 tlogG= -0.613081 logG= -0.652792 Density= 3.419515 ETOT(band)= -1.557413 trlgG= -2.221358 logG= -0.652792 TDE= -4.395963 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039292 tlogG= -0.620560 logG= -0.659852 Density= 3.417399 ETOT(band)= -1.565204 trlgG= -2.232033 logG= -0.659852 TDE= -4.397829 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039222 tlogG= -0.627173 logG= -0.666395 Density= 3.416344 ETOT(band)= -1.570815 trlgG= -2.246072 logG= -0.666395 TDE= -4.404452 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.039273 tlogG= -0.625287 logG= -0.664560 Density= 3.416854 ETOT(band)= -1.569046 trlgG= -2.241992 logG= -0.664560 TDE= -4.402628 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.039370 tlogG= -0.622480 logG= -0.661850 Density= 3.417763 ETOT(band)= -1.566241 trlgG= -2.235570 logG= -0.661850 TDE= -4.399668 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039175 tlogG= -0.623105 logG= -0.662280 Density= 3.416687 ETOT(band)= -1.567776 trlgG= -2.236885 logG= -0.662280 TDE= -4.399664 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039405 tlogG= -0.620159 logG= -0.659564 Density= 3.418033 ETOT(band)= -1.564147 trlgG= -2.230857 logG= -0.659564 TDE= -4.397465 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039382 tlogG= -0.622762 logG= -0.662144 Density= 3.418067 ETOT(band)= -1.566310 trlgG= -2.235091 logG= -0.662144 TDE= -4.399147 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039551 tlogG= -0.617223 logG= -0.656774 Density= 3.418794 ETOT(band)= -1.561223 trlgG= -2.226950 logG= -0.656774 TDE= -4.396977 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039225 tlogG= -0.625732 logG= -0.664957 Density= 3.416799 ETOT(band)= -1.569519 trlgG= -2.241461 logG= -0.664957 TDE= -4.401656 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039480 tlogG= -0.616833 logG= -0.656313 Density= 3.418568 ETOT(band)= -1.561308 trlgG= -2.225632 logG= -0.656313 TDE= -4.395933 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039414 tlogG= -0.620351 logG= -0.659765 Density= 3.418220 ETOT(band)= -1.564330 trlgG= -2.231036 logG= -0.659765 TDE= -4.397597 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039454 tlogG= -0.619560 logG= -0.659013 Density= 3.418017 ETOT(band)= -1.563681 trlgG= -2.230908 logG= -0.659013 TDE= -4.398053 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039601 tlogG= -0.615806 logG= -0.655407 Density= 3.418854 ETOT(band)= -1.560087 trlgG= -2.225403 logG= -0.655407 TDE= -4.396847 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039547 tlogG= -0.617594 logG= -0.657141 Density= 3.418998 ETOT(band)= -1.561467 trlgG= -2.226865 logG= -0.657141 TDE= -4.396693 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039818 tlogG= -0.610576 logG= -0.650394 Density= 3.420452 ETOT(band)= -1.554696 trlgG= -2.216843 logG= -0.650394 TDE= -4.394622 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039328 tlogG= -0.624815 logG= -0.664143 Density= 3.416939 ETOT(band)= -1.568521 trlgG= -2.241934 logG= -0.664143 TDE= -4.403058 logGD-logG0= -0.039939 tlogG= -0.609785 logG= -0.649723 Density= 3.421023 ETOT(band)= -1.553499 trlgG= -2.215903 logG= -0.649723 TDE= -4.394823 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039511 tlogG= -0.620560 logG= -0.660071 Density= 3.419137 ETOT(band)= -1.563811 trlgG= -2.230258 logG= -0.660071 TDE= -4.397272 logGD-logG0= -0.039362 tlogG= -0.622156 logG= -0.661518 Density= 3.417499 ETOT(band)= -1.566098 trlgG= -2.235872 logG= -0.661518 TDE= -4.400084 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039340 tlogG= -0.618297 logG= -0.657637 Density= 3.417799 ETOT(band)= -1.563171 trlgG= -2.227892 logG= -0.657637 TDE= -4.396233 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039350 tlogG= -0.622737 logG= -0.662087 Density= 3.417129 ETOT(band)= -1.566852 trlgG= -2.237691 logG= -0.662087 TDE= -4.401028 logGD-logG0= -0.039138 tlogG= -0.625879 logG= -0.665017 Density= 3.416243 ETOT(band)= -1.570122 trlgG= -2.242164 logG= -0.665017 TDE= -4.401838 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039454 tlogG= -0.620364 logG= -0.659818 Density= 3.418559 ETOT(band)= -1.564000 trlgG= -2.230562 logG= -0.659818 TDE= -4.397351 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039623 tlogG= -0.613696 logG= -0.653319 Density= 3.419210 ETOT(band)= -1.558241 trlgG= -2.221888 logG= -0.653319 TDE= -4.395713 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039224 tlogG= -0.622783 logG= -0.662008 Density= 3.416693 ETOT(band)= -1.567478 trlgG= -2.236970 logG= -0.662008 TDE= -4.400026 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039548 tlogG= -0.617948 logG= -0.657496 Density= 3.419226 ETOT(band)= -1.561673 trlgG= -2.226458 logG= -0.657496 TDE= -4.396120 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039697 tlogG= -0.613536 logG= -0.653234 Density= 3.419779 ETOT(band)= -1.557610 trlgG= -2.221302 logG= -0.653234 TDE= -4.395684 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039445 tlogG= -0.617513 logG= -0.656958 Density= 3.417846 ETOT(band)= -1.562386 trlgG= -2.227947 logG= -0.656958 TDE= -4.397006 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039346 tlogG= -0.620162 logG= -0.659508 Density= 3.417441 ETOT(band)= -1.564795 trlgG= -2.232009 logG= -0.659508 TDE= -4.398183 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039296 tlogG= -0.623192 logG= -0.662489 Density= 3.417039 ETOT(band)= -1.567359 trlgG= -2.237791 logG= -0.662489 TDE= -4.400652 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039394 tlogG= -0.617919 logG= -0.657313 Density= 3.417821 ETOT(band)= -1.562794 trlgG= -2.228072 logG= -0.657313 TDE= -4.396756 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 Sum of eigenvalues= -1021.42010921526 eV TrLogG= -1458.11196862023 eV Ratio to renormalize= 0.999622052899 rho-rho_expected= 0.062006759831 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 107 35) Finished k-point number 36 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 19) Finished k-point number 20 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 25) Finished k-point number 26 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800650491637030 0.802361571103518 0.802409419107748 0.800224982618649 0.802894556550387 0.802372329405063 0.800948062928634 0.802222977485463 0.802510848957132 0.800860048471731 0.802424998006754 0.802415589374174 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039538 tlogG= -0.616333 logG= -0.655871 Density= 3.418694 ETOT(band)= -1.560722 trlgG= -2.225749 logG= -0.655871 TDE= -4.396596 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039222 tlogG= -0.621041 logG= -0.660263 Density= 3.417175 ETOT(band)= -1.565883 trlgG= -2.232897 logG= -0.660263 TDE= -4.398097 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039225 tlogG= -0.625743 logG= -0.664967 Density= 3.416798 ETOT(band)= -1.569532 trlgG= -2.241485 logG= -0.664967 TDE= -4.401668 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039215 tlogG= -0.625429 logG= -0.664645 Density= 3.416422 ETOT(band)= -1.569570 trlgG= -2.242592 logG= -0.664645 TDE= -4.402787 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039938 tlogG= -0.609796 logG= -0.649734 Density= 3.421022 ETOT(band)= -1.553512 trlgG= -2.215927 logG= -0.649734 TDE= -4.394836 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039770 tlogG= -0.612947 logG= -0.652717 Density= 3.420029 ETOT(band)= -1.556839 trlgG= -2.220874 logG= -0.652717 TDE= -4.395979 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039535 tlogG= -0.614294 logG= -0.653829 Density= 3.418902 ETOT(band)= -1.559051 trlgG= -2.221743 logG= -0.653829 TDE= -4.394804 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039370 tlogG= -0.622491 logG= -0.661861 Density= 3.417762 ETOT(band)= -1.566254 trlgG= -2.235593 logG= -0.661861 TDE= -4.399680 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039414 tlogG= -0.620362 logG= -0.659776 Density= 3.418219 ETOT(band)= -1.564343 trlgG= -2.231060 logG= -0.659776 TDE= -4.397610 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039350 tlogG= -0.622748 logG= -0.662097 Density= 3.417128 ETOT(band)= -1.566865 trlgG= -2.237715 logG= -0.662097 TDE= -4.401041 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039138 tlogG= -0.625890 logG= -0.665028 Density= 3.416242 ETOT(band)= -1.570135 trlgG= -2.242187 logG= -0.665028 TDE= -4.401851 logGD-logG0= -0.039382 tlogG= -0.622773 logG= -0.662155 Density= 3.418067 ETOT(band)= -1.566323 trlgG= -2.235115 logG= -0.662155 TDE= -4.399159 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039244 tlogG= -0.623642 logG= -0.662887 Density= 3.416991 ETOT(band)= -1.567833 trlgG= -2.237785 logG= -0.662887 TDE= -4.400208 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039279 tlogG= -0.622426 logG= -0.661706 Density= 3.416710 ETOT(band)= -1.567133 trlgG= -2.237079 logG= -0.661706 TDE= -4.400451 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039434 tlogG= -0.619986 logG= -0.659420 Density= 3.418101 ETOT(band)= -1.564051 trlgG= -2.231159 logG= -0.659420 TDE= -4.397967 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039129 tlogG= -0.627739 logG= -0.666868 Density= 3.416065 ETOT(band)= -1.571568 trlgG= -2.245681 logG= -0.666868 TDE= -4.403358 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.039273 tlogG= -0.625298 logG= -0.664571 Density= 3.416853 ETOT(band)= -1.569060 trlgG= -2.242015 logG= -0.664571 TDE= -4.402640 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.039340 tlogG= -0.618308 logG= -0.657647 Density= 3.417798 ETOT(band)= -1.563184 trlgG= -2.227916 logG= -0.657647 TDE= -4.396246 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039319 tlogG= -0.626591 logG= -0.665909 Density= 3.416659 ETOT(band)= -1.570023 trlgG= -2.245722 logG= -0.665909 TDE= -4.404848 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039393 tlogG= -0.617930 logG= -0.657324 Density= 3.417820 ETOT(band)= -1.562807 trlgG= -2.228096 logG= -0.657324 TDE= -4.396768 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039292 tlogG= -0.620571 logG= -0.659863 Density= 3.417398 ETOT(band)= -1.565217 trlgG= -2.232057 logG= -0.659863 TDE= -4.397841 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039295 tlogG= -0.624930 logG= -0.664225 Density= 3.416620 ETOT(band)= -1.568947 trlgG= -2.242426 logG= -0.664225 TDE= -4.403205 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039480 tlogG= -0.616844 logG= -0.656324 Density= 3.418567 ETOT(band)= -1.561321 trlgG= -2.225656 logG= -0.656324 TDE= -4.395945 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039282 tlogG= -0.620543 logG= -0.659825 Density= 3.416893 ETOT(band)= -1.565632 trlgG= -2.232674 logG= -0.659825 TDE= -4.398078 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039711 tlogG= -0.613092 logG= -0.652803 Density= 3.419514 ETOT(band)= -1.557426 trlgG= -2.221382 logG= -0.652803 TDE= -4.395975 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039346 tlogG= -0.620173 logG= -0.659518 Density= 3.417440 ETOT(band)= -1.564808 trlgG= -2.232033 logG= -0.659518 TDE= -4.398196 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039327 tlogG= -0.624826 logG= -0.664153 Density= 3.416938 ETOT(band)= -1.568534 trlgG= -2.241958 logG= -0.664153 TDE= -4.403070 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039222 tlogG= -0.627184 logG= -0.666405 Density= 3.416343 ETOT(band)= -1.570829 trlgG= -2.246095 logG= -0.666405 TDE= -4.404464 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.039453 tlogG= -0.619571 logG= -0.659024 Density= 3.418016 ETOT(band)= -1.563694 trlgG= -2.230932 logG= -0.659024 TDE= -4.398065 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.039510 tlogG= -0.620571 logG= -0.660082 Density= 3.419136 ETOT(band)= -1.563824 trlgG= -2.230282 logG= -0.660082 TDE= -4.397284 logGD-logG0= -0.039697 tlogG= -0.613548 logG= -0.653245 Density= 3.419778 ETOT(band)= -1.557624 trlgG= -2.221326 logG= -0.653245 TDE= -4.395696 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039453 tlogG= -0.620375 logG= -0.659829 Density= 3.418558 ETOT(band)= -1.564013 trlgG= -2.230586 logG= -0.659829 TDE= -4.397363 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039600 tlogG= -0.615818 logG= -0.655418 Density= 3.418853 ETOT(band)= -1.560100 trlgG= -2.225427 logG= -0.655418 TDE= -4.396859 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039296 tlogG= -0.623203 logG= -0.662499 Density= 3.417038 ETOT(band)= -1.567372 trlgG= -2.237815 logG= -0.662499 TDE= -4.400665 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039696 tlogG= -0.611304 logG= -0.651000 Density= 3.419906 ETOT(band)= -1.555805 trlgG= -2.216889 logG= -0.651000 TDE= -4.393609 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039444 tlogG= -0.617524 logG= -0.656969 Density= 3.417845 ETOT(band)= -1.562399 trlgG= -2.227971 logG= -0.656969 TDE= -4.397018 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039548 tlogG= -0.617959 logG= -0.657507 Density= 3.419225 ETOT(band)= -1.561687 trlgG= -2.226482 logG= -0.657507 TDE= -4.396133 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039623 tlogG= -0.613707 logG= -0.653330 Density= 3.419209 ETOT(band)= -1.558254 trlgG= -2.221912 logG= -0.653330 TDE= -4.395726 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039362 tlogG= -0.622167 logG= -0.661529 Density= 3.417498 ETOT(band)= -1.566111 trlgG= -2.235896 logG= -0.661529 TDE= -4.400096 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039551 tlogG= -0.617234 logG= -0.656785 Density= 3.418793 ETOT(band)= -1.561237 trlgG= -2.226974 logG= -0.656785 TDE= -4.396989 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039174 tlogG= -0.623116 logG= -0.662290 Density= 3.416686 ETOT(band)= -1.567790 trlgG= -2.236909 logG= -0.662290 TDE= -4.399677 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.039248 tlogG= -0.620798 logG= -0.660046 Density= 3.417029 ETOT(band)= -1.565766 trlgG= -2.232714 logG= -0.660046 TDE= -4.398009 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039547 tlogG= -0.617605 logG= -0.657152 Density= 3.418997 ETOT(band)= -1.561480 trlgG= -2.226888 logG= -0.657152 TDE= -4.396705 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039404 tlogG= -0.620170 logG= -0.659574 Density= 3.418033 ETOT(band)= -1.564160 trlgG= -2.230880 logG= -0.659574 TDE= -4.397477 logGD-logG0= -0.039224 tlogG= -0.622794 logG= -0.662018 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 Density= 3.416692 ETOT(band)= -1.567491 trlgG= -2.236993 logG= -0.662018 TDE= -4.400038 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039817 tlogG= -0.610587 logG= -0.650405 Density= 3.420451 ETOT(band)= -1.554710 trlgG= -2.216867 logG= -0.650405 TDE= -4.394634 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039400 tlogG= -0.619733 logG= -0.659133 Density= 3.417495 ETOT(band)= -1.564341 trlgG= -2.231625 logG= -0.659133 TDE= -4.398218 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039626 tlogG= -0.614132 logG= -0.653759 Density= 3.419549 ETOT(band)= -1.558376 trlgG= -2.221095 logG= -0.653759 TDE= -4.394762 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1021.42877503844 eV TrLogG= -1458.12699171106 eV Ratio to renormalize= 0.999622338707 rho-rho_expected= 0.061959851868 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 1) Finished k-point number 2 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800648115535893 0.802357690248015 0.802413552386898 0.800222464772456 0.802890987693745 0.802376350500794 0.800945576609935 0.802219208776803 0.802514952834725 0.800857486859009 0.802421315725514 0.802419696861112 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039129 tlogG= -0.627745 logG= -0.666873 Density= 3.416064 ETOT(band)= -1.571579 trlgG= -2.245698 logG= -0.666873 TDE= -4.403368 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039339 tlogG= -0.618314 logG= -0.657653 Density= 3.417797 ETOT(band)= -1.563196 trlgG= -2.227933 logG= -0.657653 TDE= -4.396257 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039697 tlogG= -0.613554 logG= -0.653250 Density= 3.419777 ETOT(band)= -1.557635 trlgG= -2.221344 logG= -0.653250 TDE= -4.395707 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039291 tlogG= -0.620577 logG= -0.659869 Density= 3.417397 ETOT(band)= -1.565229 trlgG= -2.232074 logG= -0.659869 TDE= -4.397852 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039174 tlogG= -0.623122 logG= -0.662296 Density= 3.416685 ETOT(band)= -1.567801 trlgG= -2.236926 logG= -0.662296 TDE= -4.399687 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039295 tlogG= -0.623209 logG= -0.662505 Density= 3.417037 ETOT(band)= -1.567383 trlgG= -2.237832 logG= -0.662505 TDE= -4.400675 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039224 tlogG= -0.625749 logG= -0.664973 Density= 3.416797 ETOT(band)= -1.569543 trlgG= -2.241502 logG= -0.664973 TDE= -4.401679 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039318 tlogG= -0.626596 logG= -0.665915 Density= 3.416659 ETOT(band)= -1.570034 trlgG= -2.245739 logG= -0.665915 TDE= -4.404859 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039453 tlogG= -0.619577 logG= -0.659030 Density= 3.418015 ETOT(band)= -1.563706 trlgG= -2.230949 logG= -0.659030 TDE= -4.398076 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039282 tlogG= -0.620549 logG= -0.659831 Density= 3.416893 ETOT(band)= -1.565643 trlgG= -2.232691 logG= -0.659831 TDE= -4.398089 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039434 tlogG= -0.619992 logG= -0.659426 Density= 3.418100 ETOT(band)= -1.564063 trlgG= -2.231176 logG= -0.659426 TDE= -4.397978 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039622 tlogG= -0.613714 logG= -0.653336 Density= 3.419208 ETOT(band)= -1.558266 trlgG= -2.221929 logG= -0.653336 TDE= -4.395737 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039404 tlogG= -0.620176 logG= -0.659580 Density= 3.418032 ETOT(band)= -1.564172 trlgG= -2.230898 logG= -0.659580 TDE= -4.397488 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039244 tlogG= -0.623648 logG= -0.662892 Density= 3.416990 ETOT(band)= -1.567844 trlgG= -2.237802 logG= -0.662892 TDE= -4.400219 logGD-logG0= -0.039537 tlogG= -0.616339 logG= -0.655877 Density= 3.418693 ETOT(band)= -1.560734 trlgG= -2.225766 logG= -0.655877 TDE= -4.396607 logGD-logG0= -0.039413 tlogG= -0.620368 logG= -0.659781 Density= 3.418218 ETOT(band)= -1.564354 trlgG= -2.231077 logG= -0.659781 TDE= -4.397620 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039695 tlogG= -0.611310 logG= -0.651006 Density= 3.419905 ETOT(band)= -1.555817 trlgG= -2.216907 logG= -0.651006 TDE= -4.393620 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039550 tlogG= -0.617240 logG= -0.656790 Density= 3.418792 ETOT(band)= -1.561248 trlgG= -2.226991 logG= -0.656790 TDE= -4.397000 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039369 tlogG= -0.622497 logG= -0.661866 Density= 3.417761 ETOT(band)= -1.566265 trlgG= -2.235610 logG= -0.661866 TDE= -4.399691 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039393 tlogG= -0.617936 logG= -0.657329 Density= 3.417819 ETOT(band)= -1.562819 trlgG= -2.228114 logG= -0.657329 TDE= -4.396779 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039137 tlogG= -0.625896 logG= -0.665033 Density= 3.416241 ETOT(band)= -1.570146 trlgG= -2.242204 logG= -0.665033 TDE= -4.401861 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039453 tlogG= -0.620381 logG= -0.659834 Density= 3.418557 ETOT(band)= -1.564025 trlgG= -2.230604 logG= -0.659834 TDE= -4.397374 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039479 tlogG= -0.616850 logG= -0.656330 Density= 3.418566 ETOT(band)= -1.561333 trlgG= -2.225673 logG= -0.656330 TDE= -4.395956 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039535 tlogG= -0.614300 logG= -0.653835 Density= 3.418900 ETOT(band)= -1.559063 trlgG= -2.221761 logG= -0.653835 TDE= -4.394815 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039345 tlogG= -0.620179 logG= -0.659524 Density= 3.417439 ETOT(band)= -1.564819 trlgG= -2.232051 logG= -0.659524 TDE= -4.398207 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039279 tlogG= -0.622432 logG= -0.661711 Density= 3.416709 ETOT(band)= -1.567144 trlgG= -2.237096 logG= -0.661711 TDE= -4.400462 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039223 tlogG= -0.622800 logG= -0.662024 Density= 3.416691 ETOT(band)= -1.567502 trlgG= -2.237011 logG= -0.662024 TDE= -4.400049 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039399 tlogG= -0.619739 logG= -0.659139 Density= 3.417494 ETOT(band)= -1.564352 trlgG= -2.231642 logG= -0.659139 TDE= -4.398229 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039349 tlogG= -0.622754 logG= -0.662103 Density= 3.417127 ETOT(band)= -1.566876 trlgG= -2.237732 logG= -0.662103 TDE= -4.401051 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039600 tlogG= -0.615824 logG= -0.655424 Density= 3.418852 ETOT(band)= -1.560112 trlgG= -2.225445 logG= -0.655424 TDE= -4.396870 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039770 tlogG= -0.612953 logG= -0.652723 Density= 3.420028 ETOT(band)= -1.556850 trlgG= -2.220891 logG= -0.652723 TDE= -4.395990 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039361 tlogG= -0.622173 logG= -0.661534 Density= 3.417497 ETOT(band)= -1.566122 trlgG= -2.235913 logG= -0.661534 TDE= -4.400107 logGD-logG0= -0.039221 tlogG= -0.621047 logG= -0.660268 Density= 3.417174 ETOT(band)= -1.565894 trlgG= -2.232914 logG= -0.660268 TDE= -4.398107 logGD-logG0= -0.039294 tlogG= -0.624936 logG= -0.664230 Density= 3.416619 ETOT(band)= -1.568958 trlgG= -2.242443 logG= -0.664230 TDE= -4.403216 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039215 tlogG= -0.625435 logG= -0.664650 Density= 3.416421 ETOT(band)= -1.569581 trlgG= -2.242609 logG= -0.664650 TDE= -4.402798 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039381 tlogG= -0.622779 logG= -0.662160 Density= 3.418065 ETOT(band)= -1.566335 trlgG= -2.235132 logG= -0.662160 TDE= -4.399170 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039248 tlogG= -0.620804 logG= -0.660051 Density= 3.417028 ETOT(band)= -1.565778 trlgG= -2.232731 logG= -0.660051 TDE= -4.398020 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039327 tlogG= -0.624832 logG= -0.664159 Density= 3.416937 ETOT(band)= -1.568545 trlgG= -2.241975 logG= -0.664159 TDE= -4.403081 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039221 tlogG= -0.627189 logG= -0.666410 Density= 3.416343 ETOT(band)= -1.570839 trlgG= -2.246112 logG= -0.666410 TDE= -4.404475 logGD-logG0= -0.039444 tlogG= -0.617530 logG= -0.656974 Density= 3.417844 ETOT(band)= -1.562411 trlgG= -2.227988 logG= -0.656974 TDE= -4.397029 logGD-logG0= -0.039938 tlogG= -0.609803 logG= -0.649740 Density= 3.421020 ETOT(band)= -1.553524 trlgG= -2.215945 logG= -0.649740 TDE= -4.394847 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039547 tlogG= -0.617965 logG= -0.657513 Density= 3.419224 ETOT(band)= -1.561698 trlgG= -2.226499 logG= -0.657513 TDE= -4.396143 logGD-logG0= -0.039711 tlogG= -0.613099 logG= -0.652809 Density= 3.419513 ETOT(band)= -1.557438 trlgG= -2.221399 logG= -0.652809 TDE= -4.395986 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039817 tlogG= -0.610594 logG= -0.650410 Density= 3.420450 ETOT(band)= -1.554722 trlgG= -2.216885 logG= -0.650410 TDE= -4.394645 logGD-logG0= -0.039273 tlogG= -0.625304 logG= -0.664576 Density= 3.416852 ETOT(band)= -1.569071 trlgG= -2.242032 logG= -0.664576 TDE= -4.402651 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.039546 tlogG= -0.617611 logG= -0.657158 Density= 3.418996 ETOT(band)= -1.561492 trlgG= -2.226906 logG= -0.657158 TDE= -4.396716 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039626 tlogG= -0.614138 logG= -0.653764 Density= 3.419547 ETOT(band)= -1.558388 trlgG= -2.221113 logG= -0.653764 TDE= -4.394773 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039510 tlogG= -0.620577 logG= -0.660087 Density= 3.419135 ETOT(band)= -1.563835 trlgG= -2.230299 logG= -0.660087 TDE= -4.397295 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 Sum of eigenvalues= -1021.43620094739 eV TrLogG= -1458.13766939281 eV Ratio to renormalize= 0.999622649456 rho-rho_expected= 0.061908850534 nargs= 1 argi=dmft2.def 26) Finished k-point number 27 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 5) Finished k-point number 6 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 17) Finished k-point number 18 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 2) Finished k-point number 3 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 4) Finished k-point number 5 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 8) Finished k-point number 9 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800647792554530 0.802357106228828 0.802412769052180 0.800222153314789 0.802890405710118 0.802375555754137 0.800945263094077 0.802218619731360 0.802514164692840 0.800857168223752 0.802420738679143 0.802418899101392 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039382 tlogG= -0.622780 logG= -0.662161 Density= 3.418065 ETOT(band)= -1.566333 trlgG= -2.235131 logG= -0.662161 TDE= -4.399168 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039279 tlogG= -0.622434 logG= -0.661713 Density= 3.416710 ETOT(band)= -1.567142 trlgG= -2.237096 logG= -0.661713 TDE= -4.400460 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039510 tlogG= -0.620579 logG= -0.660088 Density= 3.419135 ETOT(band)= -1.563834 trlgG= -2.230299 logG= -0.660088 TDE= -4.397293 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039479 tlogG= -0.616852 logG= -0.656331 Density= 3.418566 ETOT(band)= -1.561331 trlgG= -2.225673 logG= -0.656331 TDE= -4.395954 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039537 tlogG= -0.616341 logG= -0.655878 Density= 3.418693 ETOT(band)= -1.560732 trlgG= -2.225766 logG= -0.655878 TDE= -4.396605 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039129 tlogG= -0.627746 logG= -0.666874 Density= 3.416064 ETOT(band)= -1.571577 trlgG= -2.245698 logG= -0.666874 TDE= -4.403366 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039535 tlogG= -0.614301 logG= -0.653836 Density= 3.418900 ETOT(band)= -1.559061 trlgG= -2.221761 logG= -0.653836 TDE= -4.394813 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039244 tlogG= -0.623649 logG= -0.662893 Density= 3.416990 ETOT(band)= -1.567843 trlgG= -2.237801 logG= -0.662893 TDE= -4.400217 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039291 tlogG= -0.620578 logG= -0.659870 Density= 3.417397 ETOT(band)= -1.565227 trlgG= -2.232074 logG= -0.659870 TDE= -4.397850 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039273 tlogG= -0.625305 logG= -0.664578 Density= 3.416852 ETOT(band)= -1.569069 trlgG= -2.242031 logG= -0.664578 TDE= -4.402649 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.039319 tlogG= -0.626597 logG= -0.665916 Density= 3.416659 ETOT(band)= -1.570032 trlgG= -2.245738 logG= -0.665916 TDE= -4.404857 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039221 tlogG= -0.621048 logG= -0.660269 Density= 3.417174 ETOT(band)= -1.565893 trlgG= -2.232914 logG= -0.660269 TDE= -4.398106 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039622 tlogG= -0.613715 logG= -0.653337 Density= 3.419208 ETOT(band)= -1.558264 trlgG= -2.221929 logG= -0.653337 TDE= -4.395735 logGD-logG0= -0.039369 tlogG= -0.622498 logG= -0.661868 Density= 3.417761 ETOT(band)= -1.566263 trlgG= -2.235610 logG= -0.661868 TDE= -4.399690 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039294 tlogG= -0.624937 logG= -0.664231 Density= 3.416619 ETOT(band)= -1.568956 trlgG= -2.242442 logG= -0.664231 TDE= -4.403214 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039282 tlogG= -0.620550 logG= -0.659832 Density= 3.416893 ETOT(band)= -1.565642 trlgG= -2.232691 logG= -0.659832 TDE= -4.398088 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039327 tlogG= -0.624833 logG= -0.664160 Density= 3.416937 ETOT(band)= -1.568544 trlgG= -2.241974 logG= -0.664160 TDE= -4.403080 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039404 tlogG= -0.620177 logG= -0.659581 Density= 3.418032 ETOT(band)= -1.564170 trlgG= -2.230897 logG= -0.659581 TDE= -4.397487 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039296 tlogG= -0.623210 logG= -0.662506 Density= 3.417037 ETOT(band)= -1.567381 trlgG= -2.237831 logG= -0.662506 TDE= -4.400674 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039393 tlogG= -0.617938 logG= -0.657331 Density= 3.417819 ETOT(band)= -1.562817 trlgG= -2.228113 logG= -0.657331 TDE= -4.396777 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039224 tlogG= -0.625750 logG= -0.664974 Density= 3.416797 ETOT(band)= -1.569541 trlgG= -2.241501 logG= -0.664974 TDE= -4.401677 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039711 tlogG= -0.613100 logG= -0.652810 Density= 3.419513 ETOT(band)= -1.557436 trlgG= -2.221399 logG= -0.652810 TDE= -4.395984 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039434 tlogG= -0.619993 logG= -0.659427 Density= 3.418100 ETOT(band)= -1.564061 trlgG= -2.231176 logG= -0.659427 TDE= -4.397976 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039414 tlogG= -0.620369 logG= -0.659782 Density= 3.418218 ETOT(band)= -1.564353 trlgG= -2.231076 logG= -0.659782 TDE= -4.397619 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039546 tlogG= -0.617613 logG= -0.657159 Density= 3.418996 ETOT(band)= -1.561490 trlgG= -2.226905 logG= -0.657159 TDE= -4.396714 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039399 tlogG= -0.619741 logG= -0.659140 Density= 3.417494 ETOT(band)= -1.564350 trlgG= -2.231641 logG= -0.659140 TDE= -4.398228 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039453 tlogG= -0.620382 logG= -0.659835 Density= 3.418557 ETOT(band)= -1.564023 trlgG= -2.230603 logG= -0.659835 TDE= -4.397372 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039361 tlogG= -0.622174 logG= -0.661535 Density= 3.417497 ETOT(band)= -1.566121 trlgG= -2.235913 logG= -0.661535 TDE= -4.400106 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039695 tlogG= -0.611312 logG= -0.651007 Density= 3.419905 ETOT(band)= -1.555815 trlgG= -2.216906 logG= -0.651007 TDE= -4.393619 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039339 tlogG= -0.618315 logG= -0.657654 Density= 3.417797 ETOT(band)= -1.563194 trlgG= -2.227933 logG= -0.657654 TDE= -4.396255 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039550 tlogG= -0.617241 logG= -0.656792 Density= 3.418792 ETOT(band)= -1.561246 trlgG= -2.226991 logG= -0.656792 TDE= -4.396998 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039697 tlogG= -0.613555 logG= -0.653252 Density= 3.419777 ETOT(band)= -1.557634 trlgG= -2.221344 logG= -0.653252 TDE= -4.395705 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039174 tlogG= -0.623123 logG= -0.662297 Density= 3.416685 ETOT(band)= -1.567799 trlgG= -2.236926 logG= -0.662297 TDE= -4.399686 logGD-logG0= -0.039453 tlogG= -0.619578 logG= -0.659031 Density= 3.418015 ETOT(band)= -1.563704 trlgG= -2.230949 logG= -0.659031 TDE= -4.398075 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039138 tlogG= -0.625897 logG= -0.665034 Density= 3.416242 ETOT(band)= -1.570144 trlgG= -2.242204 logG= -0.665034 TDE= -4.401860 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039215 tlogG= -0.625436 logG= -0.664651 Density= 3.416421 ETOT(band)= -1.569579 trlgG= -2.242609 logG= -0.664651 TDE= -4.402797 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039444 tlogG= -0.617532 logG= -0.656976 Density= 3.417844 ETOT(band)= -1.562409 trlgG= -2.227988 logG= -0.656976 TDE= -4.397028 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039600 tlogG= -0.615825 logG= -0.655425 Density= 3.418852 ETOT(band)= -1.560110 trlgG= -2.225444 logG= -0.655425 TDE= -4.396868 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039349 tlogG= -0.622755 logG= -0.662104 Density= 3.417127 ETOT(band)= -1.566874 trlgG= -2.237731 logG= -0.662104 TDE= -4.401050 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039345 tlogG= -0.620180 logG= -0.659525 Density= 3.417439 ETOT(band)= -1.564818 trlgG= -2.232050 logG= -0.659525 TDE= -4.398205 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039770 tlogG= -0.612954 logG= -0.652724 Density= 3.420028 ETOT(band)= -1.556849 trlgG= -2.220891 logG= -0.652724 TDE= -4.395988 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039224 tlogG= -0.622801 logG= -0.662025 Density= 3.416691 ETOT(band)= -1.567501 trlgG= -2.237010 logG= -0.662025 TDE= -4.400047 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039626 tlogG= -0.614139 logG= -0.653766 Density= 3.419547 ETOT(band)= -1.558386 trlgG= -2.221113 logG= -0.653766 TDE= -4.394771 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039221 tlogG= -0.627190 logG= -0.666412 Density= 3.416343 ETOT(band)= -1.570838 trlgG= -2.246111 logG= -0.666412 TDE= -4.404473 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039248 tlogG= -0.620805 logG= -0.660052 Density= 3.417028 ETOT(band)= -1.565776 trlgG= -2.232730 logG= -0.660052 TDE= -4.398019 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039548 tlogG= -0.617966 logG= -0.657514 Density= 3.419224 ETOT(band)= -1.561697 trlgG= -2.226499 logG= -0.657514 TDE= -4.396141 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039817 tlogG= -0.610595 logG= -0.650412 Density= 3.420450 ETOT(band)= -1.554720 trlgG= -2.216885 logG= -0.650412 TDE= -4.394643 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039938 tlogG= -0.609804 logG= -0.649742 Density= 3.421021 ETOT(band)= -1.553522 trlgG= -2.215945 logG= -0.649742 TDE= -4.394845 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 Sum of eigenvalues= -1021.43510232364 eV TrLogG= -1458.13740633153 eV Ratio to renormalize= 0.999622630075 rho-rho_expected= 0.061912031497 nargs= 1 argi=dmft2.def 43) Finished k-point number 44 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 11) Finished k-point number 12 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 24) Finished k-point number 25 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 1) Finished k-point number 2 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 35) Finished k-point number 36 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800647228244966 0.802356589848944 0.802410745498814 0.800221620971697 0.802889856532193 0.802373524805188 0.800944732596670 0.802218078813162 0.802512130592657 0.800856638166566 0.802420203282663 0.802416855554191 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039224 tlogG= -0.625749 logG= -0.664974 Density= 3.416797 ETOT(band)= -1.569536 trlgG= -2.241496 logG= -0.664974 TDE= -4.401672 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039622 tlogG= -0.613714 logG= -0.653337 Density= 3.419208 ETOT(band)= -1.558259 trlgG= -2.221923 logG= -0.653337 TDE= -4.395729 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039361 tlogG= -0.622174 logG= -0.661535 Density= 3.417497 ETOT(band)= -1.566115 trlgG= -2.235907 logG= -0.661535 TDE= -4.400100 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039404 tlogG= -0.620177 logG= -0.659581 Density= 3.418031 ETOT(band)= -1.564165 trlgG= -2.230892 logG= -0.659581 TDE= -4.397481 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039129 tlogG= -0.627745 logG= -0.666874 Density= 3.416064 ETOT(band)= -1.571572 trlgG= -2.245692 logG= -0.666874 TDE= -4.403361 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039319 tlogG= -0.626597 logG= -0.665916 Density= 3.416658 ETOT(band)= -1.570027 trlgG= -2.245733 logG= -0.665916 TDE= -4.404852 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039369 tlogG= -0.622498 logG= -0.661867 Density= 3.417761 ETOT(band)= -1.566258 trlgG= -2.235604 logG= -0.661867 TDE= -4.399684 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039537 tlogG= -0.616340 logG= -0.655878 Density= 3.418693 ETOT(band)= -1.560727 trlgG= -2.225760 logG= -0.655878 TDE= -4.396600 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039295 tlogG= -0.624936 logG= -0.664231 Density= 3.416619 ETOT(band)= -1.568950 trlgG= -2.242437 logG= -0.664231 TDE= -4.403208 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039279 tlogG= -0.622433 logG= -0.661712 Density= 3.416709 ETOT(band)= -1.567137 trlgG= -2.237090 logG= -0.661712 TDE= -4.400455 logGD-logG0= -0.039382 tlogG= -0.622779 logG= -0.662161 Density= 3.418065 ETOT(band)= -1.566328 trlgG= -2.235126 logG= -0.662161 TDE= -4.399163 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039222 tlogG= -0.621048 logG= -0.660269 Density= 3.417174 ETOT(band)= -1.565887 trlgG= -2.232908 logG= -0.660269 TDE= -4.398100 logGD-logG0= -0.039244 tlogG= -0.623649 logG= -0.662893 Density= 3.416990 ETOT(band)= -1.567837 trlgG= -2.237796 logG= -0.662893 TDE= -4.400211 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039273 tlogG= -0.625305 logG= -0.664577 Density= 3.416852 ETOT(band)= -1.569064 trlgG= -2.242026 logG= -0.664577 TDE= -4.402644 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.039414 tlogG= -0.620369 logG= -0.659782 Density= 3.418218 ETOT(band)= -1.564347 trlgG= -2.231071 logG= -0.659782 TDE= -4.397613 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039434 tlogG= -0.619993 logG= -0.659427 Density= 3.418100 ETOT(band)= -1.564055 trlgG= -2.231170 logG= -0.659427 TDE= -4.397971 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039174 tlogG= -0.623123 logG= -0.662297 Density= 3.416685 ETOT(band)= -1.567794 trlgG= -2.236920 logG= -0.662297 TDE= -4.399680 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039548 tlogG= -0.617966 logG= -0.657514 Density= 3.419224 ETOT(band)= -1.561691 trlgG= -2.226493 logG= -0.657514 TDE= -4.396136 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039282 tlogG= -0.620550 logG= -0.659832 Density= 3.416893 ETOT(band)= -1.565636 trlgG= -2.232685 logG= -0.659832 TDE= -4.398082 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039600 tlogG= -0.615825 logG= -0.655425 Density= 3.418852 ETOT(band)= -1.560104 trlgG= -2.225439 logG= -0.655425 TDE= -4.396863 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039399 tlogG= -0.619740 logG= -0.659140 Density= 3.417494 ETOT(band)= -1.564345 trlgG= -2.231636 logG= -0.659140 TDE= -4.398222 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039479 tlogG= -0.616851 logG= -0.656330 Density= 3.418566 ETOT(band)= -1.561326 trlgG= -2.225667 logG= -0.656330 TDE= -4.395949 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039291 tlogG= -0.620578 logG= -0.659870 Density= 3.417397 ETOT(band)= -1.565221 trlgG= -2.232068 logG= -0.659870 TDE= -4.397844 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039339 tlogG= -0.618315 logG= -0.657654 Density= 3.417797 ETOT(band)= -1.563189 trlgG= -2.227927 logG= -0.657654 TDE= -4.396249 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039224 tlogG= -0.622801 logG= -0.662025 Density= 3.416691 ETOT(band)= -1.567495 trlgG= -2.237004 logG= -0.662025 TDE= -4.400041 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039546 tlogG= -0.617612 logG= -0.657159 Density= 3.418996 ETOT(band)= -1.561485 trlgG= -2.226900 logG= -0.657159 TDE= -4.396709 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039535 tlogG= -0.614301 logG= -0.653836 Density= 3.418900 ETOT(band)= -1.559055 trlgG= -2.221755 logG= -0.653836 TDE= -4.394808 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039551 tlogG= -0.617241 logG= -0.656791 Density= 3.418792 ETOT(band)= -1.561241 trlgG= -2.226985 logG= -0.656791 TDE= -4.396993 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039327 tlogG= -0.624833 logG= -0.664160 Density= 3.416937 ETOT(band)= -1.568538 trlgG= -2.241968 logG= -0.664160 TDE= -4.403074 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039817 tlogG= -0.610594 logG= -0.650411 Density= 3.420450 ETOT(band)= -1.554714 trlgG= -2.216879 logG= -0.650411 TDE= -4.394638 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039695 tlogG= -0.611311 logG= -0.651007 Density= 3.419905 ETOT(band)= -1.555810 trlgG= -2.216900 logG= -0.651007 TDE= -4.393613 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039215 tlogG= -0.625436 logG= -0.664651 Density= 3.416421 ETOT(band)= -1.569574 trlgG= -2.242603 logG= -0.664651 TDE= -4.402791 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039248 tlogG= -0.620804 logG= -0.660052 Density= 3.417028 ETOT(band)= -1.565771 trlgG= -2.232725 logG= -0.660052 TDE= -4.398013 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039349 tlogG= -0.622754 logG= -0.662104 Density= 3.417127 ETOT(band)= -1.566869 trlgG= -2.237726 logG= -0.662104 TDE= -4.401044 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039626 tlogG= -0.614139 logG= -0.653765 Density= 3.419547 ETOT(band)= -1.558381 trlgG= -2.221107 logG= -0.653765 TDE= -4.394765 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039444 tlogG= -0.617531 logG= -0.656975 Density= 3.417844 ETOT(band)= -1.562404 trlgG= -2.227982 logG= -0.656975 TDE= -4.397022 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039697 tlogG= -0.613555 logG= -0.653251 Density= 3.419777 ETOT(band)= -1.557628 trlgG= -2.221338 logG= -0.653251 TDE= -4.395700 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039296 tlogG= -0.623210 logG= -0.662506 Density= 3.417037 ETOT(band)= -1.567376 trlgG= -2.237826 logG= -0.662506 TDE= -4.400668 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039938 tlogG= -0.609803 logG= -0.649741 Density= 3.421021 ETOT(band)= -1.553517 trlgG= -2.215939 logG= -0.649741 TDE= -4.394840 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039711 tlogG= -0.613099 logG= -0.652810 Density= 3.419513 ETOT(band)= -1.557431 trlgG= -2.221393 logG= -0.652810 TDE= -4.395979 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039138 tlogG= -0.625897 logG= -0.665034 Density= 3.416241 ETOT(band)= -1.570139 trlgG= -2.242198 logG= -0.665034 TDE= -4.401854 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039453 tlogG= -0.620382 logG= -0.659835 Density= 3.418557 ETOT(band)= -1.564018 trlgG= -2.230597 logG= -0.659835 TDE= -4.397367 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039453 tlogG= -0.619578 logG= -0.659031 Density= 3.418015 ETOT(band)= -1.563699 trlgG= -2.230943 logG= -0.659031 TDE= -4.398069 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039221 tlogG= -0.627190 logG= -0.666412 Density= 3.416342 ETOT(band)= -1.570832 trlgG= -2.246106 logG= -0.666412 TDE= -4.404468 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039345 tlogG= -0.620180 logG= -0.659525 Density= 3.417439 ETOT(band)= -1.564812 trlgG= -2.232044 logG= -0.659525 TDE= -4.398199 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039770 tlogG= -0.612954 logG= -0.652724 Density= 3.420028 ETOT(band)= -1.556843 trlgG= -2.220885 logG= -0.652724 TDE= -4.395983 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039393 tlogG= -0.617937 logG= -0.657330 Density= 3.417819 ETOT(band)= -1.562811 trlgG= -2.228107 logG= -0.657330 TDE= -4.396772 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039510 tlogG= -0.620578 logG= -0.660088 Density= 3.419135 ETOT(band)= -1.563828 trlgG= -2.230293 logG= -0.660088 TDE= -4.397288 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 Sum of eigenvalues= -1021.43154181385 eV TrLogG= -1458.13361880429 eV Ratio to renormalize= 0.999622654385 rho-rho_expected= 0.061908041577 nargs= 1 argi=dmft2.def 15) Finished k-point number 16 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 37) Finished k-point number 38 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 23) Finished k-point number 24 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 27) Finished k-point number 28 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 36) Finished k-point number 37 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800636085172004 0.802346621705817 0.802397894632811 0.800210336105635 0.802879927163498 0.802360800072321 0.800933613743447 0.802208124162251 0.802499284784747 0.800845580998579 0.802410152382874 0.802404084071028 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039222 tlogG= -0.625742 logG= -0.664963 Density= 3.416788 ETOT(band)= -1.569507 trlgG= -2.241456 logG= -0.664963 TDE= -4.401636 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039289 tlogG= -0.620570 logG= -0.659859 Density= 3.417388 ETOT(band)= -1.565192 trlgG= -2.232029 logG= -0.659859 TDE= -4.397808 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039126 tlogG= -0.627738 logG= -0.666864 Density= 3.416055 ETOT(band)= -1.571543 trlgG= -2.245652 logG= -0.666864 TDE= -4.403324 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039219 tlogG= -0.621040 logG= -0.660258 Density= 3.417165 ETOT(band)= -1.565858 trlgG= -2.232869 logG= -0.660258 TDE= -4.398065 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039276 tlogG= -0.622425 logG= -0.661702 Density= 3.416700 ETOT(band)= -1.567108 trlgG= -2.237050 logG= -0.661702 TDE= -4.400418 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039241 tlogG= -0.623641 logG= -0.662882 Density= 3.416981 ETOT(band)= -1.567808 trlgG= -2.237756 logG= -0.662882 TDE= -4.400176 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039535 tlogG= -0.616332 logG= -0.655867 Density= 3.418684 ETOT(band)= -1.560698 trlgG= -2.225718 logG= -0.655867 TDE= -4.396561 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039292 tlogG= -0.624929 logG= -0.664220 Density= 3.416610 ETOT(band)= -1.568921 trlgG= -2.242397 logG= -0.664220 TDE= -4.403172 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039477 tlogG= -0.616843 logG= -0.656320 Density= 3.418557 ETOT(band)= -1.561297 trlgG= -2.225626 logG= -0.656320 TDE= -4.395911 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039316 tlogG= -0.626589 logG= -0.665905 Density= 3.416649 ETOT(band)= -1.569998 trlgG= -2.245693 logG= -0.665905 TDE= -4.404815 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=119 logGD-logG0= -0.039597 tlogG= -0.615817 logG= -0.655414 Density= 3.418843 ETOT(band)= -1.560075 trlgG= -2.225397 logG= -0.655414 TDE= -4.396824 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039431 tlogG= -0.619985 logG= -0.659416 Density= 3.418091 ETOT(band)= -1.564026 trlgG= -2.231130 logG= -0.659416 TDE= -4.397934 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039620 tlogG= -0.613706 logG= -0.653326 Density= 3.419199 ETOT(band)= -1.558230 trlgG= -2.221881 logG= -0.653326 TDE= -4.395690 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039441 tlogG= -0.617523 logG= -0.656965 Density= 3.417835 ETOT(band)= -1.562374 trlgG= -2.227941 logG= -0.656965 TDE= -4.396984 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039347 tlogG= -0.622747 logG= -0.662093 Density= 3.417118 ETOT(band)= -1.566840 trlgG= -2.237686 logG= -0.662093 TDE= -4.401007 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.039379 tlogG= -0.622771 logG= -0.662150 Density= 3.418057 ETOT(band)= -1.566298 trlgG= -2.235086 logG= -0.662150 TDE= -4.399127 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039337 tlogG= -0.618307 logG= -0.657643 Density= 3.417788 ETOT(band)= -1.563159 trlgG= -2.227886 logG= -0.657643 TDE= -4.396212 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039367 tlogG= -0.622490 logG= -0.661857 Density= 3.417753 ETOT(band)= -1.566229 trlgG= -2.235564 logG= -0.661857 TDE= -4.399647 logGD-logG0= -0.039532 tlogG= -0.614293 logG= -0.653825 Density= 3.418891 ETOT(band)= -1.559026 trlgG= -2.221713 logG= -0.653825 TDE= -4.394770 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039359 tlogG= -0.622166 logG= -0.661525 Density= 3.417488 ETOT(band)= -1.566086 trlgG= -2.235867 logG= -0.661525 TDE= -4.400063 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039411 tlogG= -0.620361 logG= -0.659771 Density= 3.418209 ETOT(band)= -1.564318 trlgG= -2.231031 logG= -0.659771 TDE= -4.397577 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039279 tlogG= -0.620542 logG= -0.659821 Density= 3.416884 ETOT(band)= -1.565607 trlgG= -2.232646 logG= -0.659821 TDE= -4.398046 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039694 tlogG= -0.613547 logG= -0.653241 Density= 3.419768 ETOT(band)= -1.557599 trlgG= -2.221296 logG= -0.653241 TDE= -4.395661 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039450 tlogG= -0.619570 logG= -0.659020 Density= 3.418006 ETOT(band)= -1.563669 trlgG= -2.230903 logG= -0.659020 TDE= -4.398032 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039401 tlogG= -0.620169 logG= -0.659570 Density= 3.418022 ETOT(band)= -1.564135 trlgG= -2.230852 logG= -0.659570 TDE= -4.397445 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039212 tlogG= -0.625428 logG= -0.664640 Density= 3.416412 ETOT(band)= -1.569545 trlgG= -2.242563 logG= -0.664640 TDE= -4.402754 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039507 tlogG= -0.620570 logG= -0.660077 Density= 3.419126 ETOT(band)= -1.563799 trlgG= -2.230255 logG= -0.660077 TDE= -4.397253 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039221 tlogG= -0.622793 logG= -0.662014 Density= 3.416682 ETOT(band)= -1.567466 trlgG= -2.236964 logG= -0.662014 TDE= -4.400005 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039270 tlogG= -0.625297 logG= -0.664567 Density= 3.416843 ETOT(band)= -1.569035 trlgG= -2.241986 logG= -0.664567 TDE= -4.402607 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039324 tlogG= -0.624825 logG= -0.664149 Density= 3.416928 ETOT(band)= -1.568509 trlgG= -2.241929 logG= -0.664149 TDE= -4.403037 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039450 tlogG= -0.620374 logG= -0.659824 Density= 3.418548 ETOT(band)= -1.563988 trlgG= -2.230558 logG= -0.659824 TDE= -4.397331 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039814 tlogG= -0.610586 logG= -0.650401 Density= 3.420441 ETOT(band)= -1.554685 trlgG= -2.216837 logG= -0.650401 TDE= -4.394599 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039390 tlogG= -0.617929 logG= -0.657320 Density= 3.417810 ETOT(band)= -1.562782 trlgG= -2.228066 logG= -0.657320 TDE= -4.396734 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039544 tlogG= -0.617604 logG= -0.657148 Density= 3.418987 ETOT(band)= -1.561455 trlgG= -2.226858 logG= -0.657148 TDE= -4.396671 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039708 tlogG= -0.613091 logG= -0.652799 Density= 3.419504 ETOT(band)= -1.557402 trlgG= -2.221351 logG= -0.652799 TDE= -4.395940 logGD-logG0= -0.039343 tlogG= -0.620172 logG= -0.659514 Density= 3.417430 ETOT(band)= -1.564783 trlgG= -2.232005 logG= -0.659514 TDE= -4.398163 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039293 tlogG= -0.623202 logG= -0.662495 Density= 3.417028 ETOT(band)= -1.567347 trlgG= -2.237786 logG= -0.662495 TDE= -4.400632 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039219 tlogG= -0.627182 logG= -0.666401 Density= 3.416333 ETOT(band)= -1.570803 trlgG= -2.246066 logG= -0.666401 TDE= -4.404431 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039935 tlogG= -0.609795 logG= -0.649730 Density= 3.421011 ETOT(band)= -1.553488 trlgG= -2.215897 logG= -0.649730 TDE= -4.394801 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039245 tlogG= -0.620796 logG= -0.660041 Density= 3.417019 ETOT(band)= -1.565741 trlgG= -2.232685 logG= -0.660041 TDE= -4.397977 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039767 tlogG= -0.612946 logG= -0.652713 Density= 3.420019 ETOT(band)= -1.556814 trlgG= -2.220843 logG= -0.652713 TDE= -4.395944 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039545 tlogG= -0.617958 logG= -0.657503 Density= 3.419215 ETOT(band)= -1.561661 trlgG= -2.226453 logG= -0.657503 TDE= -4.396099 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039135 tlogG= -0.625889 logG= -0.665024 Density= 3.416233 ETOT(band)= -1.570110 trlgG= -2.242159 logG= -0.665024 TDE= -4.401818 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039548 tlogG= -0.617233 logG= -0.656781 Density= 3.418783 ETOT(band)= -1.561212 trlgG= -2.226944 logG= -0.656781 TDE= -4.396955 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039693 tlogG= -0.611303 logG= -0.650996 Density= 3.419896 ETOT(band)= -1.555780 trlgG= -2.216858 logG= -0.650996 TDE= -4.393574 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039397 tlogG= -0.619732 logG= -0.659129 Density= 3.417485 ETOT(band)= -1.564316 trlgG= -2.231596 logG= -0.659129 TDE= -4.398186 logGD-logG0= -0.039623 tlogG= -0.614131 logG= -0.653755 Density= 3.419538 ETOT(band)= -1.558351 trlgG= -2.221065 logG= -0.653755 TDE= -4.394727 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039171 tlogG= -0.623115 logG= -0.662286 Density= 3.416676 ETOT(band)= -1.567764 trlgG= -2.236881 logG= -0.662286 TDE= -4.399645 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 Sum of eigenvalues= -1021.41243566570 eV TrLogG= -1458.10245958437 eV Ratio to renormalize= 0.999625272567 rho-rho_expected= 0.061478336601 nargs= 1 argi=dmft2.def 4) Finished k-point number 5 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 39) Finished k-point number 40 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 7) Finished k-point number 8 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 12) Finished k-point number 13 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800636881064470 0.802346609735344 0.802400046945159 0.800211131349316 0.802879963380082 0.802362909457080 0.800934407883228 0.802208121261375 0.802501428970933 0.800846362202382 0.802410173432494 0.802406218881808 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039293 tlogG= -0.623202 logG= -0.662495 Density= 3.417029 ETOT(band)= -1.567347 trlgG= -2.237786 logG= -0.662495 TDE= -4.400633 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039219 tlogG= -0.621039 logG= -0.660258 Density= 3.417166 ETOT(band)= -1.565858 trlgG= -2.232870 logG= -0.660258 TDE= -4.398066 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039337 tlogG= -0.618307 logG= -0.657643 Density= 3.417789 ETOT(band)= -1.563160 trlgG= -2.227887 logG= -0.657643 TDE= -4.396213 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039270 tlogG= -0.625297 logG= -0.664567 Density= 3.416844 ETOT(band)= -1.569035 trlgG= -2.241986 logG= -0.664567 TDE= -4.402608 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039477 tlogG= -0.616843 logG= -0.656320 Density= 3.418557 ETOT(band)= -1.561297 trlgG= -2.225626 logG= -0.656320 TDE= -4.395912 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039277 tlogG= -0.622425 logG= -0.661702 Density= 3.416701 ETOT(band)= -1.567108 trlgG= -2.237050 logG= -0.661702 TDE= -4.400419 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039533 tlogG= -0.614292 logG= -0.653825 Density= 3.418892 ETOT(band)= -1.559027 trlgG= -2.221714 logG= -0.653825 TDE= -4.394771 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039535 tlogG= -0.616332 logG= -0.655867 Density= 3.418685 ETOT(band)= -1.560698 trlgG= -2.225718 logG= -0.655867 TDE= -4.396562 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039292 tlogG= -0.624928 logG= -0.664220 Density= 3.416611 ETOT(band)= -1.568922 trlgG= -2.242397 logG= -0.664220 TDE= -4.403173 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039279 tlogG= -0.620542 logG= -0.659821 Density= 3.416884 ETOT(band)= -1.565607 trlgG= -2.232646 logG= -0.659821 TDE= -4.398047 logGD-logG0= -0.039367 tlogG= -0.622490 logG= -0.661857 Density= 3.417753 ETOT(band)= -1.566229 trlgG= -2.235565 logG= -0.661857 TDE= -4.399648 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039316 tlogG= -0.626589 logG= -0.665905 Density= 3.416650 ETOT(band)= -1.569998 trlgG= -2.245693 logG= -0.665905 TDE= -4.404816 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=119 logGD-logG0= -0.039432 tlogG= -0.619985 logG= -0.659416 Density= 3.418092 ETOT(band)= -1.564026 trlgG= -2.231131 logG= -0.659416 TDE= -4.397935 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039126 tlogG= -0.627737 logG= -0.666864 Density= 3.416055 ETOT(band)= -1.571543 trlgG= -2.245653 logG= -0.666864 TDE= -4.403325 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039450 tlogG= -0.619570 logG= -0.659020 Density= 3.418007 ETOT(band)= -1.563670 trlgG= -2.230903 logG= -0.659020 TDE= -4.398033 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039242 tlogG= -0.623641 logG= -0.662882 Density= 3.416981 ETOT(band)= -1.567808 trlgG= -2.237757 logG= -0.662882 TDE= -4.400176 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039379 tlogG= -0.622771 logG= -0.662150 Density= 3.418057 ETOT(band)= -1.566298 trlgG= -2.235087 logG= -0.662150 TDE= -4.399128 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039620 tlogG= -0.613706 logG= -0.653326 Density= 3.419200 ETOT(band)= -1.558230 trlgG= -2.221881 logG= -0.653326 TDE= -4.395692 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039289 tlogG= -0.620570 logG= -0.659859 Density= 3.417389 ETOT(band)= -1.565192 trlgG= -2.232029 logG= -0.659859 TDE= -4.397809 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039213 tlogG= -0.625428 logG= -0.664640 Density= 3.416413 ETOT(band)= -1.569545 trlgG= -2.242564 logG= -0.664640 TDE= -4.402755 logGD-logG0= -0.039597 tlogG= -0.615816 logG= -0.655414 Density= 3.418844 ETOT(band)= -1.560076 trlgG= -2.225397 logG= -0.655414 TDE= -4.396825 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039411 tlogG= -0.620360 logG= -0.659771 Density= 3.418210 ETOT(band)= -1.564318 trlgG= -2.231031 logG= -0.659771 TDE= -4.397578 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039548 tlogG= -0.617233 logG= -0.656781 Density= 3.418784 ETOT(band)= -1.561212 trlgG= -2.226944 logG= -0.656781 TDE= -4.396956 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039219 tlogG= -0.627182 logG= -0.666401 Density= 3.416334 ETOT(band)= -1.570804 trlgG= -2.246066 logG= -0.666401 TDE= -4.404432 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039222 tlogG= -0.625741 logG= -0.664963 Density= 3.416789 ETOT(band)= -1.569507 trlgG= -2.241457 logG= -0.664963 TDE= -4.401637 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039325 tlogG= -0.624825 logG= -0.664149 Density= 3.416929 ETOT(band)= -1.568509 trlgG= -2.241929 logG= -0.664149 TDE= -4.403038 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039694 tlogG= -0.613546 logG= -0.653241 Density= 3.419768 ETOT(band)= -1.557599 trlgG= -2.221296 logG= -0.653241 TDE= -4.395662 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039693 tlogG= -0.611303 logG= -0.650996 Density= 3.419896 ETOT(band)= -1.555781 trlgG= -2.216859 logG= -0.650996 TDE= -4.393575 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039544 tlogG= -0.617604 logG= -0.657148 Density= 3.418988 ETOT(band)= -1.561456 trlgG= -2.226859 logG= -0.657148 TDE= -4.396672 logGD-logG0= -0.039391 tlogG= -0.617929 logG= -0.657320 Density= 3.417811 ETOT(band)= -1.562782 trlgG= -2.228067 logG= -0.657320 TDE= -4.396735 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039135 tlogG= -0.625889 logG= -0.665024 Density= 3.416233 ETOT(band)= -1.570110 trlgG= -2.242159 logG= -0.665024 TDE= -4.401819 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039767 tlogG= -0.612946 logG= -0.652713 Density= 3.420020 ETOT(band)= -1.556814 trlgG= -2.220844 logG= -0.652713 TDE= -4.395945 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039245 tlogG= -0.620796 logG= -0.660041 Density= 3.417020 ETOT(band)= -1.565742 trlgG= -2.232686 logG= -0.660041 TDE= -4.397978 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039935 tlogG= -0.609795 logG= -0.649730 Density= 3.421012 ETOT(band)= -1.553488 trlgG= -2.215898 logG= -0.649730 TDE= -4.394802 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039442 tlogG= -0.617523 logG= -0.656965 Density= 3.417836 ETOT(band)= -1.562375 trlgG= -2.227941 logG= -0.656965 TDE= -4.396985 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039221 tlogG= -0.622793 logG= -0.662014 Density= 3.416683 ETOT(band)= -1.567466 trlgG= -2.236965 logG= -0.662014 TDE= -4.400006 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039402 tlogG= -0.620169 logG= -0.659570 Density= 3.418023 ETOT(band)= -1.564136 trlgG= -2.230853 logG= -0.659570 TDE= -4.397446 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039347 tlogG= -0.622746 logG= -0.662093 Density= 3.417118 ETOT(band)= -1.566840 trlgG= -2.237686 logG= -0.662093 TDE= -4.401008 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.039172 tlogG= -0.623114 logG= -0.662286 Density= 3.416677 ETOT(band)= -1.567765 trlgG= -2.236882 logG= -0.662286 TDE= -4.399646 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039397 tlogG= -0.619732 logG= -0.659129 Density= 3.417486 ETOT(band)= -1.564316 trlgG= -2.231597 logG= -0.659129 TDE= -4.398187 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039451 tlogG= -0.620374 logG= -0.659824 Density= 3.418548 ETOT(band)= -1.563988 trlgG= -2.230558 logG= -0.659824 TDE= -4.397332 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039507 tlogG= -0.620570 logG= -0.660077 Density= 3.419127 ETOT(band)= -1.563799 trlgG= -2.230255 logG= -0.660077 TDE= -4.397253 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039343 tlogG= -0.620172 logG= -0.659514 Density= 3.417430 ETOT(band)= -1.564783 trlgG= -2.232005 logG= -0.659514 TDE= -4.398164 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039708 tlogG= -0.613091 logG= -0.652799 Density= 3.419505 ETOT(band)= -1.557402 trlgG= -2.221352 logG= -0.652799 TDE= -4.395941 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039545 tlogG= -0.617958 logG= -0.657503 Density= 3.419216 ETOT(band)= -1.561662 trlgG= -2.226453 logG= -0.657503 TDE= -4.396100 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039815 tlogG= -0.610586 logG= -0.650401 Density= 3.420442 ETOT(band)= -1.554685 trlgG= -2.216837 logG= -0.650401 TDE= -4.394600 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039359 tlogG= -0.622166 logG= -0.661525 Density= 3.417488 ETOT(band)= -1.566086 trlgG= -2.235867 logG= -0.661525 TDE= -4.400064 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039624 tlogG= -0.614131 logG= -0.653754 Density= 3.419539 ETOT(band)= -1.558352 trlgG= -2.221066 logG= -0.653754 TDE= -4.394728 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1021.41265200090 eV TrLogG= -1458.10308002966 eV Ratio to renormalize= 0.999625087325 rho-rho_expected= 0.061508739095 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 28) Finished k-point number 29 1 with #bands= 107 35) Finished k-point number 36 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 8) Finished k-point number 9 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 24) Finished k-point number 25 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 0) Finished k-point number 1 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800616444170059 0.802328215849699 0.802379678539404 0.800190513646326 0.802861646441780 0.802342762569949 0.800914032852523 0.802189785918180 0.802481092320913 0.800826106624712 0.802391641174780 0.802386003840061 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039615 tlogG= -0.613697 logG= -0.653312 Density= 3.419183 ETOT(band)= -1.558188 trlgG= -2.221822 logG= -0.653312 TDE= -4.395633 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039530 tlogG= -0.616323 logG= -0.655853 Density= 3.418669 ETOT(band)= -1.560656 trlgG= -2.225659 logG= -0.655853 TDE= -4.396504 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039121 tlogG= -0.627729 logG= -0.666850 Density= 3.416039 ETOT(band)= -1.571502 trlgG= -2.245598 logG= -0.666850 TDE= -4.403271 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.039427 tlogG= -0.619976 logG= -0.659402 Density= 3.418076 ETOT(band)= -1.563985 trlgG= -2.231075 logG= -0.659402 TDE= -4.397880 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039354 tlogG= -0.622157 logG= -0.661511 Density= 3.417473 ETOT(band)= -1.566045 trlgG= -2.235812 logG= -0.661511 TDE= -4.400009 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039689 tlogG= -0.613537 logG= -0.653226 Density= 3.419752 ETOT(band)= -1.557558 trlgG= -2.221237 logG= -0.653226 TDE= -4.395604 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039284 tlogG= -0.620561 logG= -0.659845 Density= 3.417373 ETOT(band)= -1.565151 trlgG= -2.231975 logG= -0.659845 TDE= -4.397756 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039386 tlogG= -0.617920 logG= -0.657305 Density= 3.417795 ETOT(band)= -1.562741 trlgG= -2.228009 logG= -0.657305 TDE= -4.396678 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039167 tlogG= -0.623105 logG= -0.662272 Density= 3.416661 ETOT(band)= -1.567723 trlgG= -2.236829 logG= -0.662272 TDE= -4.399594 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039214 tlogG= -0.621030 logG= -0.660244 Density= 3.417150 ETOT(band)= -1.565816 trlgG= -2.232817 logG= -0.660244 TDE= -4.398014 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039374 tlogG= -0.622762 logG= -0.662136 Density= 3.418042 ETOT(band)= -1.566257 trlgG= -2.235033 logG= -0.662136 TDE= -4.399076 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039528 tlogG= -0.614283 logG= -0.653811 Density= 3.418876 ETOT(band)= -1.558985 trlgG= -2.221656 logG= -0.653811 TDE= -4.394714 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039332 tlogG= -0.618297 logG= -0.657629 Density= 3.417773 ETOT(band)= -1.563118 trlgG= -2.227831 logG= -0.657629 TDE= -4.396158 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039810 tlogG= -0.610577 logG= -0.650386 Density= 3.420425 ETOT(band)= -1.554644 trlgG= -2.216778 logG= -0.650386 TDE= -4.394541 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039287 tlogG= -0.624920 logG= -0.664207 Density= 3.416595 ETOT(band)= -1.568881 trlgG= -2.242342 logG= -0.664207 TDE= -4.403118 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039311 tlogG= -0.626581 logG= -0.665892 Density= 3.416634 ETOT(band)= -1.569957 trlgG= -2.245639 logG= -0.665892 TDE= -4.404762 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.039217 tlogG= -0.625732 logG= -0.664949 Density= 3.416773 ETOT(band)= -1.569466 trlgG= -2.241403 logG= -0.664949 TDE= -4.401584 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039362 tlogG= -0.622481 logG= -0.661843 Density= 3.417738 ETOT(band)= -1.566187 trlgG= -2.235509 logG= -0.661843 TDE= -4.399594 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039216 tlogG= -0.622784 logG= -0.662000 Density= 3.416667 ETOT(band)= -1.567425 trlgG= -2.236910 logG= -0.662000 TDE= -4.399951 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039342 tlogG= -0.622737 logG= -0.662080 Density= 3.417102 ETOT(band)= -1.566799 trlgG= -2.237631 logG= -0.662080 TDE= -4.400954 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.039130 tlogG= -0.625880 logG= -0.665010 Density= 3.416217 ETOT(band)= -1.570069 trlgG= -2.242106 logG= -0.665010 TDE= -4.401766 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039274 tlogG= -0.620533 logG= -0.659807 Density= 3.416868 ETOT(band)= -1.565566 trlgG= -2.232592 logG= -0.659807 TDE= -4.397994 logGD-logG0= -0.039214 tlogG= -0.627174 logG= -0.666388 Density= 3.416318 ETOT(band)= -1.570763 trlgG= -2.246011 logG= -0.666388 TDE= -4.404378 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039539 tlogG= -0.617595 logG= -0.657134 Density= 3.418972 ETOT(band)= -1.561414 trlgG= -2.226801 logG= -0.657134 TDE= -4.396615 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039265 tlogG= -0.625288 logG= -0.664553 Density= 3.416828 ETOT(band)= -1.568994 trlgG= -2.241931 logG= -0.664553 TDE= -4.402553 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039272 tlogG= -0.622416 logG= -0.661688 Density= 3.416685 ETOT(band)= -1.567067 trlgG= -2.236995 logG= -0.661688 TDE= -4.400364 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039237 tlogG= -0.623632 logG= -0.662869 Density= 3.416966 ETOT(band)= -1.567767 trlgG= -2.237703 logG= -0.662869 TDE= -4.400124 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039472 tlogG= -0.616834 logG= -0.656306 Density= 3.418541 ETOT(band)= -1.561255 trlgG= -2.225569 logG= -0.656306 TDE= -4.395856 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039406 tlogG= -0.620351 logG= -0.659757 Density= 3.418194 ETOT(band)= -1.564276 trlgG= -2.230976 logG= -0.659757 TDE= -4.397524 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039930 tlogG= -0.609786 logG= -0.649716 Density= 3.420995 ETOT(band)= -1.553447 trlgG= -2.215839 logG= -0.649716 TDE= -4.394743 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039619 tlogG= -0.614121 logG= -0.653740 Density= 3.419523 ETOT(band)= -1.558310 trlgG= -2.221008 logG= -0.653740 TDE= -4.394671 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039503 tlogG= -0.620560 logG= -0.660063 Density= 3.419112 ETOT(band)= -1.563757 trlgG= -2.230201 logG= -0.660063 TDE= -4.397202 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.039397 tlogG= -0.620159 logG= -0.659556 Density= 3.418007 ETOT(band)= -1.564094 trlgG= -2.230797 logG= -0.659556 TDE= -4.397392 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039320 tlogG= -0.624816 logG= -0.664136 Density= 3.416913 ETOT(band)= -1.568469 trlgG= -2.241874 logG= -0.664136 TDE= -4.402984 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039437 tlogG= -0.617514 logG= -0.656951 Density= 3.417820 ETOT(band)= -1.562333 trlgG= -2.227883 logG= -0.656951 TDE= -4.396928 logGD-logG0= -0.039288 tlogG= -0.623193 logG= -0.662481 Density= 3.417013 ETOT(band)= -1.567306 trlgG= -2.237731 logG= -0.662481 TDE= -4.400578 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039208 tlogG= -0.625419 logG= -0.664627 Density= 3.416397 ETOT(band)= -1.569504 trlgG= -2.242508 logG= -0.664627 TDE= -4.402701 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039240 tlogG= -0.620787 logG= -0.660027 Density= 3.417004 ETOT(band)= -1.565700 trlgG= -2.232631 logG= -0.660027 TDE= -4.397925 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039446 tlogG= -0.620364 logG= -0.659810 Density= 3.418533 ETOT(band)= -1.563946 trlgG= -2.230504 logG= -0.659810 TDE= -4.397279 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039392 tlogG= -0.619723 logG= -0.659115 Density= 3.417470 ETOT(band)= -1.564275 trlgG= -2.231542 logG= -0.659115 TDE= -4.398133 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039688 tlogG= -0.611294 logG= -0.650982 Density= 3.419880 ETOT(band)= -1.555739 trlgG= -2.216800 logG= -0.650982 TDE= -4.393517 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039762 tlogG= -0.612937 logG= -0.652699 Density= 3.420003 ETOT(band)= -1.556773 trlgG= -2.220785 logG= -0.652699 TDE= -4.395886 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039446 tlogG= -0.619561 logG= -0.659006 Density= 3.417991 ETOT(band)= -1.563628 trlgG= -2.230847 logG= -0.659006 TDE= -4.397977 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039703 tlogG= -0.613082 logG= -0.652785 Density= 3.419488 ETOT(band)= -1.557361 trlgG= -2.221293 logG= -0.652785 TDE= -4.395882 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039540 tlogG= -0.617948 logG= -0.657489 Density= 3.419200 ETOT(band)= -1.561620 trlgG= -2.226397 logG= -0.657489 TDE= -4.396045 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039543 tlogG= -0.617223 logG= -0.656767 Density= 3.418768 ETOT(band)= -1.561170 trlgG= -2.226886 logG= -0.656767 TDE= -4.396899 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039338 tlogG= -0.620162 logG= -0.659500 Density= 3.417414 ETOT(band)= -1.564742 trlgG= -2.231951 logG= -0.659500 TDE= -4.398111 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039593 tlogG= -0.615807 logG= -0.655400 Density= 3.418827 ETOT(band)= -1.560034 trlgG= -2.225338 logG= -0.655400 TDE= -4.396767 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 Sum of eigenvalues= -1021.38559372829 eV TrLogG= -1458.05786744606 eV Ratio to renormalize= 0.999629770686 rho-rho_expected= 0.060740095289 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 24) Finished k-point number 25 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 29) Finished k-point number 30 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 23) Finished k-point number 24 1 with #bands= 107 3) Finished k-point number 4 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 2) Finished k-point number 3 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800595943887917 0.802335657211100 0.802308376010792 0.800170516804131 0.802869152475382 0.802271077971356 0.800893855038117 0.802197137992570 0.802410191739313 0.800806091713580 0.802398354656870 0.802315205510914 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039213 tlogG= -0.622813 logG= -0.662026 Density= 3.416654 ETOT(band)= -1.567421 trlgG= -2.236929 logG= -0.662026 TDE= -4.399935 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039268 tlogG= -0.622445 logG= -0.661713 Density= 3.416672 ETOT(band)= -1.567063 trlgG= -2.237013 logG= -0.661713 TDE= -4.400346 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039213 tlogG= -0.625762 logG= -0.664976 Density= 3.416761 ETOT(band)= -1.569463 trlgG= -2.241426 logG= -0.664976 TDE= -4.401570 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039118 tlogG= -0.627759 logG= -0.666877 Density= 3.416027 ETOT(band)= -1.571500 trlgG= -2.245620 logG= -0.666877 TDE= -4.403256 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=126 logGD-logG0= -0.039927 tlogG= -0.609814 logG= -0.649741 Density= 3.420984 ETOT(band)= -1.553442 trlgG= -2.215857 logG= -0.649741 TDE= -4.394727 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039540 tlogG= -0.617252 logG= -0.656792 Density= 3.418756 ETOT(band)= -1.561167 trlgG= -2.226904 logG= -0.656792 TDE= -4.396882 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039423 tlogG= -0.620005 logG= -0.659428 Density= 3.418065 ETOT(band)= -1.563981 trlgG= -2.231096 logG= -0.659428 TDE= -4.397866 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039307 tlogG= -0.626611 logG= -0.665919 Density= 3.416620 ETOT(band)= -1.569957 trlgG= -2.245661 logG= -0.665919 TDE= -4.404746 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039338 tlogG= -0.622767 logG= -0.662106 Density= 3.417089 ETOT(band)= -1.566797 trlgG= -2.237651 logG= -0.662106 TDE= -4.400937 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.039281 tlogG= -0.620589 logG= -0.659870 Density= 3.417362 ETOT(band)= -1.565146 trlgG= -2.231995 logG= -0.659870 TDE= -4.397742 logGD-logG0= -0.039524 tlogG= -0.614311 logG= -0.653835 Density= 3.418866 ETOT(band)= -1.558979 trlgG= -2.221673 logG= -0.653835 TDE= -4.394698 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039211 tlogG= -0.621058 logG= -0.660269 Density= 3.417139 ETOT(band)= -1.565812 trlgG= -2.232839 logG= -0.660269 TDE= -4.398002 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039537 tlogG= -0.617977 logG= -0.657514 Density= 3.419191 ETOT(band)= -1.561614 trlgG= -2.226418 logG= -0.657514 TDE= -4.396033 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039358 tlogG= -0.622510 logG= -0.661869 Density= 3.417726 ETOT(band)= -1.566184 trlgG= -2.235528 logG= -0.661869 TDE= -4.399578 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039589 tlogG= -0.615836 logG= -0.655425 Density= 3.418816 ETOT(band)= -1.560030 trlgG= -2.225357 logG= -0.655425 TDE= -4.396751 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039262 tlogG= -0.625318 logG= -0.664579 Density= 3.416815 ETOT(band)= -1.568991 trlgG= -2.241952 logG= -0.664579 TDE= -4.402537 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039527 tlogG= -0.616351 logG= -0.655878 Density= 3.418658 ETOT(band)= -1.560652 trlgG= -2.225678 logG= -0.655878 TDE= -4.396488 logGD-logG0= -0.039328 tlogG= -0.618326 logG= -0.657654 Density= 3.417762 ETOT(band)= -1.563113 trlgG= -2.227851 logG= -0.657654 TDE= -4.396145 logGD-logG0= -0.039210 tlogG= -0.627204 logG= -0.666414 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Density= 3.416305 ETOT(band)= -1.570761 trlgG= -2.246033 logG= -0.666414 TDE= -4.404362 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039371 tlogG= -0.622791 logG= -0.662162 Density= 3.418031 ETOT(band)= -1.566252 trlgG= -2.235055 logG= -0.662162 TDE= -4.399063 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.039316 tlogG= -0.624846 logG= -0.664162 Density= 3.416899 ETOT(band)= -1.568467 trlgG= -2.241895 logG= -0.664162 TDE= -4.402967 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039403 tlogG= -0.620380 logG= -0.659783 Density= 3.418183 ETOT(band)= -1.564272 trlgG= -2.230997 logG= -0.659783 TDE= -4.397511 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039499 tlogG= -0.620589 logG= -0.660089 Density= 3.419102 ETOT(band)= -1.563751 trlgG= -2.230223 logG= -0.660089 TDE= -4.397190 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039283 tlogG= -0.624950 logG= -0.664233 Density= 3.416581 ETOT(band)= -1.568879 trlgG= -2.242363 logG= -0.664233 TDE= -4.403101 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039469 tlogG= -0.616862 logG= -0.656331 Density= 3.418531 ETOT(band)= -1.561250 trlgG= -2.225589 logG= -0.656331 TDE= -4.395841 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039285 tlogG= -0.623223 logG= -0.662507 Density= 3.417001 ETOT(band)= -1.567303 trlgG= -2.237752 logG= -0.662507 TDE= -4.400563 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039442 tlogG= -0.619590 logG= -0.659032 Density= 3.417979 ETOT(band)= -1.563625 trlgG= -2.230867 logG= -0.659032 TDE= -4.397962 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039686 tlogG= -0.613565 logG= -0.653251 Density= 3.419742 ETOT(band)= -1.557552 trlgG= -2.221254 logG= -0.653251 TDE= -4.395587 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039536 tlogG= -0.617623 logG= -0.657159 Density= 3.418962 ETOT(band)= -1.561409 trlgG= -2.226818 logG= -0.657159 TDE= -4.396599 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039204 tlogG= -0.625449 logG= -0.664653 Density= 3.416384 ETOT(band)= -1.569502 trlgG= -2.242529 logG= -0.664653 TDE= -4.402684 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.039612 tlogG= -0.613725 logG= -0.653337 Density= 3.419173 ETOT(band)= -1.558183 trlgG= -2.221839 logG= -0.653337 TDE= -4.395617 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039351 tlogG= -0.622186 logG= -0.661537 Density= 3.417460 ETOT(band)= -1.566042 trlgG= -2.235831 logG= -0.661537 TDE= -4.399992 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039271 tlogG= -0.620561 logG= -0.659832 Density= 3.416856 ETOT(band)= -1.565561 trlgG= -2.232612 logG= -0.659832 TDE= -4.397979 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039806 tlogG= -0.610605 logG= -0.650411 Density= 3.420415 ETOT(band)= -1.554639 trlgG= -2.216795 logG= -0.650411 TDE= -4.394525 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039163 tlogG= -0.623134 logG= -0.662297 Density= 3.416649 ETOT(band)= -1.567719 trlgG= -2.236852 logG= -0.662297 TDE= -4.399582 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.039615 tlogG= -0.614150 logG= -0.653765 Density= 3.419513 ETOT(band)= -1.558304 trlgG= -2.221025 logG= -0.653765 TDE= -4.394655 logGD-logG0= -0.039442 tlogG= -0.620393 logG= -0.659836 Density= 3.418522 ETOT(band)= -1.563942 trlgG= -2.230523 logG= -0.659836 TDE= -4.397264 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039334 tlogG= -0.620191 logG= -0.659526 Density= 3.417403 ETOT(band)= -1.564738 trlgG= -2.231971 logG= -0.659526 TDE= -4.398095 logGD-logG0= -0.039388 tlogG= -0.619752 logG= -0.659140 Density= 3.417457 ETOT(band)= -1.564271 trlgG= -2.231561 logG= -0.659140 TDE= -4.398117 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039759 tlogG= -0.612965 logG= -0.652724 Density= 3.419992 ETOT(band)= -1.556769 trlgG= -2.220803 logG= -0.652724 TDE= -4.395870 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039233 tlogG= -0.623661 logG= -0.662894 Density= 3.416954 ETOT(band)= -1.567764 trlgG= -2.237725 logG= -0.662894 TDE= -4.400110 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039685 tlogG= -0.611322 logG= -0.651006 Density= 3.419870 ETOT(band)= -1.555733 trlgG= -2.216816 logG= -0.651006 TDE= -4.393500 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039700 tlogG= -0.613110 logG= -0.652810 Density= 3.419477 ETOT(band)= -1.557356 trlgG= -2.221311 logG= -0.652810 TDE= -4.395866 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039433 tlogG= -0.617542 logG= -0.656976 Density= 3.417808 ETOT(band)= -1.562329 trlgG= -2.227900 logG= -0.656976 TDE= -4.396911 logGD-logG0= -0.039393 tlogG= -0.620188 logG= -0.659581 Density= 3.417996 ETOT(band)= -1.564090 trlgG= -2.230815 logG= -0.659581 TDE= -4.397375 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039237 tlogG= -0.620815 logG= -0.660052 Density= 3.416992 ETOT(band)= -1.565696 trlgG= -2.232651 logG= -0.660052 TDE= -4.397910 logGD-logG0= -0.039127 tlogG= -0.625910 logG= -0.665036 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 Density= 3.416205 ETOT(band)= -1.570066 trlgG= -2.242129 logG= -0.665036 TDE= -4.401753 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039382 tlogG= -0.617948 logG= -0.657330 Density= 3.417784 ETOT(band)= -1.562736 trlgG= -2.228026 logG= -0.657330 TDE= -4.396661 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 Sum of eigenvalues= -1021.38303339675 eV TrLogG= -1458.06447399515 eV Ratio to renormalize= 0.999633129027 rho-rho_expected= 0.060188921170 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 47) Finished k-point number 48 1 with #bands= 104 39) Finished k-point number 40 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 10) Finished k-point number 11 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 15) Finished k-point number 16 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 34) Finished k-point number 35 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800665967598452 0.802405922815232 0.802368774515064 0.800241248160009 0.802938378494423 0.802331382958476 0.800963747496330 0.802267062979293 0.802470806367044 0.800875706712792 0.802468267184176 0.802375790412163 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039114 tlogG= -0.613742 logG= -0.652856 Density= 3.419145 ETOT(band)= -1.558365 trlgG= -2.221547 logG= -0.652856 TDE= -4.395783 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038784 tlogG= -0.622460 logG= -0.661244 Density= 3.416735 ETOT(band)= -1.567183 trlgG= -2.236644 logG= -0.661244 TDE= -4.400499 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038801 tlogG= -0.624964 logG= -0.663765 Density= 3.416649 ETOT(band)= -1.568996 trlgG= -2.241991 logG= -0.663765 TDE= -4.403253 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038914 tlogG= -0.620397 logG= -0.659312 Density= 3.418226 ETOT(band)= -1.564406 trlgG= -2.230641 logG= -0.659312 TDE= -4.397661 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038637 tlogG= -0.627773 logG= -0.666410 Density= 3.416116 ETOT(band)= -1.571599 trlgG= -2.245231 logG= -0.666410 TDE= -4.403407 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038645 tlogG= -0.625924 logG= -0.664569 Density= 3.416291 ETOT(band)= -1.570168 trlgG= -2.241736 logG= -0.664569 TDE= -4.401899 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038749 tlogG= -0.623677 logG= -0.662426 Density= 3.417023 ETOT(band)= -1.567878 trlgG= -2.237345 logG= -0.662426 TDE= -4.400256 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038785 tlogG= -0.620577 logG= -0.659361 Density= 3.416911 ETOT(band)= -1.565688 trlgG= -2.232243 logG= -0.659361 TDE= -4.398126 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038934 tlogG= -0.620021 logG= -0.658956 Density= 3.418098 ETOT(band)= -1.564122 trlgG= -2.230748 logG= -0.658956 TDE= -4.398018 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039095 tlogG= -0.615853 logG= -0.654948 Density= 3.418805 ETOT(band)= -1.560202 trlgG= -2.225053 logG= -0.654948 TDE= -4.396916 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038731 tlogG= -0.625778 logG= -0.664509 Density= 3.416842 ETOT(band)= -1.569569 trlgG= -2.241039 logG= -0.664509 TDE= -4.401717 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038975 tlogG= -0.616880 logG= -0.655854 Density= 3.418539 ETOT(band)= -1.561406 trlgG= -2.225264 logG= -0.655854 TDE= -4.396001 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038839 tlogG= -0.618342 logG= -0.657181 Density= 3.417797 ETOT(band)= -1.563251 trlgG= -2.227504 logG= -0.657181 TDE= -4.396299 logGD-logG0= -0.038904 tlogG= -0.620206 logG= -0.659110 Density= 3.418031 ETOT(band)= -1.564231 trlgG= -2.230464 logG= -0.659110 TDE= -4.397524 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039044 tlogG= -0.617641 logG= -0.656685 Density= 3.418972 ETOT(band)= -1.561566 trlgG= -2.226495 logG= -0.656685 TDE= -4.396758 logGD-logG0= -0.038793 tlogG= -0.620606 logG= -0.659399 Density= 3.417413 ETOT(band)= -1.565273 trlgG= -2.231629 logG= -0.659399 TDE= -4.397889 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038726 tlogG= -0.621074 logG= -0.659800 Density= 3.417204 ETOT(band)= -1.565929 trlgG= -2.232457 logG= -0.659800 TDE= -4.398143 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.039202 tlogG= -0.613127 logG= -0.652329 Density= 3.419440 ETOT(band)= -1.557545 trlgG= -2.221026 logG= -0.652329 TDE= -4.396032 logGD-logG0= -0.039032 tlogG= -0.616368 logG= -0.655401 Density= 3.418657 ETOT(band)= -1.560816 trlgG= -2.225367 logG= -0.655401 TDE= -4.396653 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038886 tlogG= -0.622808 logG= -0.661694 Density= 3.418096 ETOT(band)= -1.566372 trlgG= -2.234679 logG= -0.661694 TDE= -4.399208 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038953 tlogG= -0.619606 logG= -0.658559 Density= 3.418003 ETOT(band)= -1.563773 trlgG= -2.230528 logG= -0.658559 TDE= -4.398116 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038873 tlogG= -0.622527 logG= -0.661400 Density= 3.417782 ETOT(band)= -1.566309 trlgG= -2.235165 logG= -0.661400 TDE= -4.399729 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038943 tlogG= -0.617558 logG= -0.656501 Density= 3.417829 ETOT(band)= -1.562478 trlgG= -2.227570 logG= -0.656501 TDE= -4.397071 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038826 tlogG= -0.626625 logG= -0.665451 Density= 3.416687 ETOT(band)= -1.570075 trlgG= -2.245289 logG= -0.665451 TDE= -4.404897 logGD-logG0= -0.039116 tlogG= -0.614168 logG= -0.653285 Density= 3.419486 ETOT(band)= -1.558485 trlgG= -2.220729 logG= -0.653285 TDE= -4.394817 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039026 tlogG= -0.614329 logG= -0.653355 Density= 3.418848 ETOT(band)= -1.559152 trlgG= -2.221368 logG= -0.653355 TDE= -4.394859 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038729 tlogG= -0.627218 logG= -0.665947 Density= 3.416383 ETOT(band)= -1.570870 trlgG= -2.245653 logG= -0.665947 TDE= -4.404514 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038832 tlogG= -0.624861 logG= -0.663693 Density= 3.416960 ETOT(band)= -1.568590 trlgG= -2.241528 logG= -0.663693 TDE= -4.403119 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039046 tlogG= -0.617995 logG= -0.657041 Density= 3.419209 ETOT(band)= -1.561765 trlgG= -2.226083 logG= -0.657041 TDE= -4.396187 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038864 tlogG= -0.622202 logG= -0.661066 Density= 3.417508 ETOT(band)= -1.566174 trlgG= -2.235473 logG= -0.661066 TDE= -4.400144 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039187 tlogG= -0.613583 logG= -0.652770 Density= 3.419703 ETOT(band)= -1.557742 trlgG= -2.220971 logG= -0.652770 TDE= -4.395753 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038722 tlogG= -0.625463 logG= -0.664185 Density= 3.416461 ETOT(band)= -1.569611 trlgG= -2.242149 logG= -0.664185 TDE= -4.402836 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039013 tlogG= -0.620607 logG= -0.659620 Density= 3.419152 ETOT(band)= -1.563883 trlgG= -2.229856 logG= -0.659620 TDE= -4.397332 logGD-logG0= -0.038779 tlogG= -0.625333 logG= -0.664111 Density= 3.416886 ETOT(band)= -1.569106 trlgG= -2.241577 logG= -0.664111 TDE= -4.402689 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038729 tlogG= -0.622828 logG= -0.661557 Density= 3.416724 ETOT(band)= -1.567536 trlgG= -2.236553 logG= -0.661557 TDE= -4.400086 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039302 tlogG= -0.610623 logG= -0.649925 Density= 3.420340 ETOT(band)= -1.554852 trlgG= -2.216537 logG= -0.649925 TDE= -4.394691 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038955 tlogG= -0.620411 logG= -0.659366 Density= 3.418565 ETOT(band)= -1.564078 trlgG= -2.230165 logG= -0.659366 TDE= -4.397411 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038900 tlogG= -0.619768 logG= -0.658668 Density= 3.417492 ETOT(band)= -1.564411 trlgG= -2.231209 logG= -0.658668 TDE= -4.398266 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039423 tlogG= -0.609832 logG= -0.649255 Density= 3.420896 ETOT(band)= -1.553667 trlgG= -2.215609 logG= -0.649255 TDE= -4.394893 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038751 tlogG= -0.620831 logG= -0.659582 Density= 3.417052 ETOT(band)= -1.565817 trlgG= -2.232278 logG= -0.659582 TDE= -4.398056 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038680 tlogG= -0.623150 logG= -0.661829 Density= 3.416726 ETOT(band)= -1.567828 trlgG= -2.236462 logG= -0.661829 TDE= -4.399724 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038800 tlogG= -0.623238 logG= -0.662038 Density= 3.417061 ETOT(band)= -1.567424 trlgG= -2.237383 logG= -0.662038 TDE= -4.400713 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038892 tlogG= -0.617964 logG= -0.656856 Density= 3.417811 ETOT(band)= -1.562880 trlgG= -2.227689 logG= -0.656856 TDE= -4.396820 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.039180 tlogG= -0.611340 logG= -0.650520 Density= 3.419808 ETOT(band)= -1.555936 trlgG= -2.216547 logG= -0.650520 TDE= -4.393666 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038847 tlogG= -0.620207 logG= -0.659054 Density= 3.417445 ETOT(band)= -1.564871 trlgG= -2.231612 logG= -0.659054 TDE= -4.398244 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038853 tlogG= -0.622782 logG= -0.661635 Density= 3.417141 ETOT(band)= -1.566926 trlgG= -2.237291 logG= -0.661635 TDE= -4.401089 logGD-logG0= -0.039047 tlogG= -0.617270 logG= -0.656316 Density= 3.418758 ETOT(band)= -1.561330 trlgG= -2.226587 logG= -0.656316 TDE= -4.397042 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039260 tlogG= -0.612983 logG= -0.652242 Density= 3.419942 ETOT(band)= -1.556967 trlgG= -2.220528 logG= -0.652242 TDE= -4.396036 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 Sum of eigenvalues= -1021.47591104639 eV TrLogG= -1457.85621090537 eV Ratio to renormalize= 0.999624250985 rho-rho_expected= 0.061646001811 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 10) Finished k-point number 11 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 19) Finished k-point number 20 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 30) Finished k-point number 31 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800663354997921 0.802397250087875 0.802373512304014 0.800238484078957 0.802930320493251 0.802335698969297 0.800960981662401 0.802258531800324 0.802475388640235 0.800872944072278 0.802459877841579 0.802380329179948 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038748 tlogG= -0.623693 logG= -0.662440 Density= 3.417021 ETOT(band)= -1.567903 trlgG= -2.237385 logG= -0.662440 TDE= -4.400280 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038784 tlogG= -0.620593 logG= -0.659377 Density= 3.416909 ETOT(band)= -1.565714 trlgG= -2.232285 logG= -0.659377 TDE= -4.398150 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038721 tlogG= -0.625479 logG= -0.664200 Density= 3.416459 ETOT(band)= -1.569637 trlgG= -2.242190 logG= -0.664200 TDE= -4.402860 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038751 tlogG= -0.620847 logG= -0.659598 Density= 3.417050 ETOT(band)= -1.565844 trlgG= -2.232320 logG= -0.659598 TDE= -4.398081 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038914 tlogG= -0.620413 logG= -0.659327 Density= 3.418223 ETOT(band)= -1.564432 trlgG= -2.230682 logG= -0.659327 TDE= -4.397684 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038792 tlogG= -0.620622 logG= -0.659414 Density= 3.417410 ETOT(band)= -1.565299 trlgG= -2.231671 logG= -0.659414 TDE= -4.397913 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038825 tlogG= -0.626640 logG= -0.665465 Density= 3.416685 ETOT(band)= -1.570100 trlgG= -2.245329 logG= -0.665465 TDE= -4.404921 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038636 tlogG= -0.627789 logG= -0.666424 Density= 3.416114 ETOT(band)= -1.571625 trlgG= -2.245270 logG= -0.666424 TDE= -4.403431 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039201 tlogG= -0.613144 logG= -0.652345 Density= 3.419437 ETOT(band)= -1.557573 trlgG= -2.221067 logG= -0.652345 TDE= -4.396055 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039186 tlogG= -0.613600 logG= -0.652786 Density= 3.419700 ETOT(band)= -1.557769 trlgG= -2.221012 logG= -0.652786 TDE= -4.395777 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038730 tlogG= -0.625793 logG= -0.664523 Density= 3.416840 ETOT(band)= -1.569595 trlgG= -2.241079 logG= -0.664523 TDE= -4.401741 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038899 tlogG= -0.619784 logG= -0.658683 Density= 3.417490 ETOT(band)= -1.564437 trlgG= -2.231251 logG= -0.658683 TDE= -4.398291 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038954 tlogG= -0.620427 logG= -0.659381 Density= 3.418562 ETOT(band)= -1.564104 trlgG= -2.230207 logG= -0.659381 TDE= -4.397436 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038838 tlogG= -0.618358 logG= -0.657196 Density= 3.417794 ETOT(band)= -1.563278 trlgG= -2.227545 logG= -0.657196 TDE= -4.396323 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038783 tlogG= -0.622476 logG= -0.661259 Density= 3.416733 ETOT(band)= -1.567209 trlgG= -2.236685 logG= -0.661259 TDE= -4.400523 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038800 tlogG= -0.624979 logG= -0.663779 Density= 3.416647 ETOT(band)= -1.569022 trlgG= -2.242031 logG= -0.663779 TDE= -4.403278 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038725 tlogG= -0.621090 logG= -0.659815 Density= 3.417202 ETOT(band)= -1.565955 trlgG= -2.232499 logG= -0.659815 TDE= -4.398168 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039045 tlogG= -0.618011 logG= -0.657056 Density= 3.419207 ETOT(band)= -1.561792 trlgG= -2.226124 logG= -0.657056 TDE= -4.396210 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038974 tlogG= -0.616896 logG= -0.655870 Density= 3.418537 ETOT(band)= -1.561433 trlgG= -2.225305 logG= -0.655870 TDE= -4.396024 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039032 tlogG= -0.616385 logG= -0.655416 Density= 3.418654 ETOT(band)= -1.560842 trlgG= -2.225408 logG= -0.655416 TDE= -4.396676 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038872 tlogG= -0.622542 logG= -0.661414 Density= 3.417780 ETOT(band)= -1.566335 trlgG= -2.235206 logG= -0.661414 TDE= -4.399754 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038728 tlogG= -0.622844 logG= -0.661572 Density= 3.416722 ETOT(band)= -1.567562 trlgG= -2.236594 logG= -0.661572 TDE= -4.400110 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038885 tlogG= -0.622824 logG= -0.661709 Density= 3.418093 ETOT(band)= -1.566398 trlgG= -2.234719 logG= -0.661709 TDE= -4.399232 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039259 tlogG= -0.612999 logG= -0.652258 Density= 3.419940 ETOT(band)= -1.556994 trlgG= -2.220569 logG= -0.652258 TDE= -4.396059 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038933 tlogG= -0.620037 logG= -0.658971 Density= 3.418096 ETOT(band)= -1.564148 trlgG= -2.230789 logG= -0.658971 TDE= -4.398042 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039113 tlogG= -0.613759 logG= -0.652872 Density= 3.419142 ETOT(band)= -1.558392 trlgG= -2.221589 logG= -0.652872 TDE= -4.395806 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039025 tlogG= -0.614346 logG= -0.653371 Density= 3.418845 ETOT(band)= -1.559179 trlgG= -2.221410 logG= -0.653371 TDE= -4.394882 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038778 tlogG= -0.625348 logG= -0.664126 Density= 3.416884 ETOT(band)= -1.569131 trlgG= -2.241618 logG= -0.664126 TDE= -4.402713 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038644 tlogG= -0.625940 logG= -0.664583 Density= 3.416289 ETOT(band)= -1.570193 trlgG= -2.241777 logG= -0.664583 TDE= -4.401923 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038728 tlogG= -0.627233 logG= -0.665961 Density= 3.416381 ETOT(band)= -1.570895 trlgG= -2.245693 logG= -0.665961 TDE= -4.404537 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038952 tlogG= -0.619622 logG= -0.658574 Density= 3.418001 ETOT(band)= -1.563799 trlgG= -2.230569 logG= -0.658574 TDE= -4.398140 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038942 tlogG= -0.617575 logG= -0.656517 Density= 3.417827 ETOT(band)= -1.562505 trlgG= -2.227611 logG= -0.656517 TDE= -4.397095 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038852 tlogG= -0.622798 logG= -0.661650 Density= 3.417138 ETOT(band)= -1.566952 trlgG= -2.237332 logG= -0.661650 TDE= -4.401113 logGD-logG0= -0.038799 tlogG= -0.623254 logG= -0.662053 Density= 3.417059 ETOT(band)= -1.567449 trlgG= -2.237424 logG= -0.662053 TDE= -4.400738 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039012 tlogG= -0.620623 logG= -0.659635 Density= 3.419149 ETOT(band)= -1.563909 trlgG= -2.229897 logG= -0.659635 TDE= -4.397356 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038846 tlogG= -0.620223 logG= -0.659069 Density= 3.417443 ETOT(band)= -1.564897 trlgG= -2.231653 logG= -0.659069 TDE= -4.398268 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039115 tlogG= -0.614185 logG= -0.653300 Density= 3.419483 ETOT(band)= -1.558512 trlgG= -2.220771 logG= -0.653300 TDE= -4.394841 logGD-logG0= -0.038679 tlogG= -0.623166 logG= -0.661844 Density= 3.416724 ETOT(band)= -1.567854 trlgG= -2.236503 logG= -0.661844 TDE= -4.399748 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039043 tlogG= -0.617657 logG= -0.656700 Density= 3.418969 ETOT(band)= -1.561593 trlgG= -2.226536 logG= -0.656700 TDE= -4.396782 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039094 tlogG= -0.615869 logG= -0.654963 Density= 3.418803 ETOT(band)= -1.560228 trlgG= -2.225094 logG= -0.654963 TDE= -4.396939 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038832 tlogG= -0.624876 logG= -0.663708 Density= 3.416958 ETOT(band)= -1.568615 trlgG= -2.241569 logG= -0.663708 TDE= -4.403143 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038863 tlogG= -0.622218 logG= -0.661081 Density= 3.417506 ETOT(band)= -1.566199 trlgG= -2.235515 logG= -0.661081 TDE= -4.400169 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039046 tlogG= -0.617286 logG= -0.656332 Density= 3.418755 ETOT(band)= -1.561357 trlgG= -2.226629 logG= -0.656332 TDE= -4.397066 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039179 tlogG= -0.611357 logG= -0.650536 Density= 3.419805 ETOT(band)= -1.555964 trlgG= -2.216589 logG= -0.650536 TDE= -4.393689 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039301 tlogG= -0.610640 logG= -0.649941 Density= 3.420337 ETOT(band)= -1.554880 trlgG= -2.216579 logG= -0.649941 TDE= -4.394714 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038903 tlogG= -0.620222 logG= -0.659125 Density= 3.418028 ETOT(band)= -1.564257 trlgG= -2.230506 logG= -0.659125 TDE= -4.397549 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038891 tlogG= -0.617981 logG= -0.656872 Density= 3.417808 ETOT(band)= -1.562907 trlgG= -2.227730 logG= -0.656872 TDE= -4.396844 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.039422 tlogG= -0.609849 logG= -0.649271 Density= 3.420893 ETOT(band)= -1.553695 trlgG= -2.215651 logG= -0.649271 TDE= -4.394916 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 Sum of eigenvalues= -1021.49302696037 eV TrLogG= -1457.88180106374 eV Ratio to renormalize= 0.999624936986 rho-rho_expected= 0.061533413252 nargs= 1 argi=dmft2.def 31) Finished k-point number 32 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 23) Finished k-point number 24 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 12) Finished k-point number 13 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800688689350935 0.802426342232441 0.802396035281606 0.800262110919456 0.802960478624107 0.802354533227622 0.800985046320450 0.802289006801370 0.802498547854154 0.800898373059106 0.802490052971389 0.802400777824875 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038789 tlogG= -0.622447 logG= -0.661236 Density= 3.416752 ETOT(band)= -1.567202 trlgG= -2.236655 logG= -0.661236 TDE= -4.400531 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038919 tlogG= -0.620385 logG= -0.659304 Density= 3.418242 ETOT(band)= -1.564424 trlgG= -2.230652 logG= -0.659304 TDE= -4.397692 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038806 tlogG= -0.624951 logG= -0.663757 Density= 3.416665 ETOT(band)= -1.569014 trlgG= -2.242002 logG= -0.663757 TDE= -4.403286 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038727 tlogG= -0.625450 logG= -0.664177 Density= 3.416477 ETOT(band)= -1.569629 trlgG= -2.242161 logG= -0.664177 TDE= -4.402869 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038642 tlogG= -0.627761 logG= -0.666402 Density= 3.416132 ETOT(band)= -1.571618 trlgG= -2.245242 logG= -0.666402 TDE= -4.403439 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039119 tlogG= -0.613729 logG= -0.652848 Density= 3.419162 ETOT(band)= -1.558383 trlgG= -2.221561 logG= -0.652848 TDE= -4.395818 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038754 tlogG= -0.623664 logG= -0.662418 Density= 3.417040 ETOT(band)= -1.567896 trlgG= -2.237354 logG= -0.662418 TDE= -4.400286 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038897 tlogG= -0.617951 logG= -0.656849 Density= 3.417827 ETOT(band)= -1.562899 trlgG= -2.227702 logG= -0.656849 TDE= -4.396855 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.038831 tlogG= -0.626612 logG= -0.665443 Density= 3.416703 ETOT(band)= -1.570093 trlgG= -2.245300 logG= -0.665443 TDE= -4.404930 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038891 tlogG= -0.622796 logG= -0.661687 Density= 3.418112 ETOT(band)= -1.566391 trlgG= -2.234688 logG= -0.661687 TDE= -4.399238 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039038 tlogG= -0.616355 logG= -0.655393 Density= 3.418673 ETOT(band)= -1.560834 trlgG= -2.225381 logG= -0.655393 TDE= -4.396689 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038790 tlogG= -0.620564 logG= -0.659353 Density= 3.416927 ETOT(band)= -1.565706 trlgG= -2.232253 logG= -0.659353 TDE= -4.398156 logGD-logG0= -0.038844 tlogG= -0.618329 logG= -0.657173 Density= 3.417813 ETOT(band)= -1.563269 trlgG= -2.227515 logG= -0.657173 TDE= -4.396332 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038736 tlogG= -0.625765 logG= -0.664501 Density= 3.416858 ETOT(band)= -1.569588 trlgG= -2.241049 logG= -0.664501 TDE= -4.401748 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038756 tlogG= -0.620818 logG= -0.659575 Density= 3.417068 ETOT(band)= -1.565836 trlgG= -2.232288 logG= -0.659575 TDE= -4.398087 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038734 tlogG= -0.627205 logG= -0.665939 Density= 3.416399 ETOT(band)= -1.570888 trlgG= -2.245664 logG= -0.665939 TDE= -4.404546 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038939 tlogG= -0.620009 logG= -0.658948 Density= 3.418115 ETOT(band)= -1.564140 trlgG= -2.230758 logG= -0.658948 TDE= -4.398050 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038798 tlogG= -0.620593 logG= -0.659391 Density= 3.417429 ETOT(band)= -1.565292 trlgG= -2.231639 logG= -0.659391 TDE= -4.397920 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038878 tlogG= -0.622514 logG= -0.661392 Density= 3.417798 ETOT(band)= -1.566328 trlgG= -2.235176 logG= -0.661392 TDE= -4.399762 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038869 tlogG= -0.622189 logG= -0.661058 Density= 3.417524 ETOT(band)= -1.566192 trlgG= -2.235484 logG= -0.661058 TDE= -4.400177 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038838 tlogG= -0.624848 logG= -0.663685 Density= 3.416976 ETOT(band)= -1.568608 trlgG= -2.241539 logG= -0.663685 TDE= -4.403152 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038731 tlogG= -0.621062 logG= -0.659793 Density= 3.417220 ETOT(band)= -1.565948 trlgG= -2.232465 logG= -0.659793 TDE= -4.398172 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039265 tlogG= -0.612969 logG= -0.652234 Density= 3.419959 ETOT(band)= -1.556984 trlgG= -2.220541 logG= -0.652234 TDE= -4.396072 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039307 tlogG= -0.610610 logG= -0.649917 logGD-logG0= -0.039031 tlogG= -0.614316 logG= -0.653347 Density= 3.420357 ETOT(band)= -1.554869 trlgG= -2.216550 logG= -0.649917 TDE= -4.394727 Density= 3.418864 ETOT(band)= -1.559170 trlgG= -2.221381 logG= -0.653347 TDE= -4.394893 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039428 tlogG= -0.609818 logG= -0.649246 Density= 3.420913 ETOT(band)= -1.553684 trlgG= -2.215622 logG= -0.649246 TDE= -4.394928 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039185 tlogG= -0.611327 logG= -0.650512 Density= 3.419825 ETOT(band)= -1.555954 trlgG= -2.216560 logG= -0.650512 TDE= -4.393701 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038650 tlogG= -0.625912 logG= -0.664561 Density= 3.416307 ETOT(band)= -1.570186 trlgG= -2.241746 logG= -0.664561 TDE= -4.401929 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039207 tlogG= -0.613114 logG= -0.652321 Density= 3.419457 ETOT(band)= -1.557563 trlgG= -2.221039 logG= -0.652321 TDE= -4.396068 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039192 tlogG= -0.613570 logG= -0.652762 Density= 3.419720 ETOT(band)= -1.557760 trlgG= -2.220985 logG= -0.652762 TDE= -4.395789 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039052 tlogG= -0.617257 logG= -0.656308 Density= 3.418774 ETOT(band)= -1.561348 trlgG= -2.226600 logG= -0.656308 TDE= -4.397076 logGD-logG0= -0.038805 tlogG= -0.623225 logG= -0.662030 Density= 3.417077 ETOT(band)= -1.567442 trlgG= -2.237394 logG= -0.662030 TDE= -4.400745 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038960 tlogG= -0.620399 logG= -0.659358 Density= 3.418581 ETOT(band)= -1.564096 trlgG= -2.230175 logG= -0.659358 TDE= -4.397441 logGD-logG0= -0.038948 tlogG= -0.617545 logG= -0.656493 Density= 3.417845 ETOT(band)= -1.562496 trlgG= -2.227583 logG= -0.656493 TDE= -4.397106 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039051 tlogG= -0.617982 logG= -0.657033 Density= 3.419225 ETOT(band)= -1.561784 trlgG= -2.226095 logG= -0.657033 TDE= -4.396220 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038958 tlogG= -0.619593 logG= -0.658551 Density= 3.418020 ETOT(band)= -1.563790 trlgG= -2.230539 logG= -0.658551 TDE= -4.398149 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039018 tlogG= -0.620595 logG= -0.659613 Density= 3.419167 ETOT(band)= -1.563902 trlgG= -2.229864 logG= -0.659613 TDE= -4.397361 logGD-logG0= -0.039100 tlogG= -0.615840 logG= -0.654939 Density= 3.418822 ETOT(band)= -1.560219 trlgG= -2.225067 logG= -0.654939 TDE= -4.396952 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038784 tlogG= -0.625320 logG= -0.664104 Density= 3.416902 ETOT(band)= -1.569124 trlgG= -2.241588 logG= -0.664104 TDE= -4.402722 logGD-logG0= -0.038909 tlogG= -0.620193 logG= -0.659102 Density= 3.418047 ETOT(band)= -1.564249 trlgG= -2.230474 logG= -0.659102 TDE= -4.397555 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038980 tlogG= -0.616867 logG= -0.655846 Density= 3.418556 ETOT(band)= -1.561424 trlgG= -2.225277 logG= -0.655846 TDE= -4.396035 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039049 tlogG= -0.617628 logG= -0.656677 Density= 3.418988 ETOT(band)= -1.561585 trlgG= -2.226508 logG= -0.656677 TDE= -4.396792 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038734 tlogG= -0.622815 logG= -0.661549 Density= 3.416740 ETOT(band)= -1.567554 trlgG= -2.236564 logG= -0.661549 TDE= -4.400118 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038851 tlogG= -0.620194 logG= -0.659046 Density= 3.417462 ETOT(band)= -1.564889 trlgG= -2.231621 logG= -0.659046 TDE= -4.398275 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038685 tlogG= -0.623137 logG= -0.661822 Density= 3.416742 ETOT(band)= -1.567847 trlgG= -2.236471 logG= -0.661822 TDE= -4.399753 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039121 tlogG= -0.614155 logG= -0.653277 Density= 3.419502 ETOT(band)= -1.558503 trlgG= -2.220742 logG= -0.653277 TDE= -4.394852 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038858 tlogG= -0.622769 logG= -0.661627 Density= 3.417157 ETOT(band)= -1.566944 trlgG= -2.237301 logG= -0.661627 TDE= -4.401121 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038905 tlogG= -0.619755 logG= -0.658659 Density= 3.417509 ETOT(band)= -1.564429 trlgG= -2.231218 logG= -0.658659 TDE= -4.398298 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 Sum of eigenvalues= -1021.48774798235 eV TrLogG= -1457.87240994889 eV Ratio to renormalize= 0.999619478808 rho-rho_expected= 0.062429231101 nargs= 1 argi=dmft2.def 25) Finished k-point number 26 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 9) Finished k-point number 10 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 1) Finished k-point number 2 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 47) Finished k-point number 48 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 107 37) Finished k-point number 38 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800679528850437 0.802412930380149 0.802389377028951 0.800254813534700 0.802946006195127 0.802351318187370 0.800977254544651 0.802274084500135 0.802491333995696 0.800889125689588 0.802475372522477 0.802396322631135 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038787 tlogG= -0.622462 logG= -0.661250 Density= 3.416747 ETOT(band)= -1.567200 trlgG= -2.236668 logG= -0.661250 TDE= -4.400526 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038876 tlogG= -0.622529 logG= -0.661405 Density= 3.417793 ETOT(band)= -1.566327 trlgG= -2.235188 logG= -0.661405 TDE= -4.399756 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038978 tlogG= -0.616882 logG= -0.655860 Density= 3.418550 ETOT(band)= -1.561424 trlgG= -2.225289 logG= -0.655860 TDE= -4.396028 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039263 tlogG= -0.612985 logG= -0.652248 Density= 3.419954 ETOT(band)= -1.556984 trlgG= -2.220553 logG= -0.652248 TDE= -4.396065 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038829 tlogG= -0.626627 logG= -0.665456 Density= 3.416698 ETOT(band)= -1.570091 trlgG= -2.245312 logG= -0.665456 TDE= -4.404924 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038734 tlogG= -0.625780 logG= -0.664514 Density= 3.416853 ETOT(band)= -1.569586 trlgG= -2.241061 logG= -0.664514 TDE= -4.401743 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039036 tlogG= -0.616371 logG= -0.655407 Density= 3.418668 ETOT(band)= -1.560833 trlgG= -2.225393 logG= -0.655407 TDE= -4.396682 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039183 tlogG= -0.611342 logG= -0.650526 Density= 3.419819 ETOT(band)= -1.555954 trlgG= -2.216572 logG= -0.650526 TDE= -4.393695 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038918 tlogG= -0.620400 logG= -0.659317 Density= 3.418237 ETOT(band)= -1.564423 trlgG= -2.230664 logG= -0.659317 TDE= -4.397687 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039117 tlogG= -0.613745 logG= -0.652862 Density= 3.419156 ETOT(band)= -1.558382 trlgG= -2.221573 logG= -0.652862 TDE= -4.395812 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038752 tlogG= -0.623679 logG= -0.662431 Density= 3.417034 ETOT(band)= -1.567895 trlgG= -2.237367 logG= -0.662431 TDE= -4.400282 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039098 tlogG= -0.615855 logG= -0.654953 Density= 3.418817 ETOT(band)= -1.560219 trlgG= -2.225079 logG= -0.654953 TDE= -4.396946 logGD-logG0= -0.038640 tlogG= -0.627776 logG= -0.666416 Density= 3.416127 ETOT(band)= -1.571616 trlgG= -2.245254 logG= -0.666416 TDE= -4.403434 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038804 tlogG= -0.624966 logG= -0.663770 Density= 3.416660 ETOT(band)= -1.569013 trlgG= -2.242014 logG= -0.663770 TDE= -4.403281 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038788 tlogG= -0.620579 logG= -0.659367 Density= 3.416922 ETOT(band)= -1.565705 trlgG= -2.232265 logG= -0.659367 TDE= -4.398151 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038904 tlogG= -0.619770 logG= -0.658673 Density= 3.417504 ETOT(band)= -1.564428 trlgG= -2.231232 logG= -0.658673 TDE= -4.398293 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038648 tlogG= -0.625926 logG= -0.664575 Density= 3.416302 ETOT(band)= -1.570185 trlgG= -2.241758 logG= -0.664575 TDE= -4.401925 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038938 tlogG= -0.620024 logG= -0.658961 Density= 3.418109 ETOT(band)= -1.564139 trlgG= -2.230771 logG= -0.658961 TDE= -4.398044 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038732 tlogG= -0.622830 logG= -0.661563 Density= 3.416735 ETOT(band)= -1.567553 trlgG= -2.236576 logG= -0.661563 TDE= -4.400112 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038890 tlogG= -0.622810 logG= -0.661700 Density= 3.418106 ETOT(band)= -1.566390 trlgG= -2.234701 logG= -0.661700 TDE= -4.399233 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038797 tlogG= -0.620608 logG= -0.659405 Density= 3.417424 ETOT(band)= -1.565291 trlgG= -2.231652 logG= -0.659405 TDE= -4.397915 logGD-logG0= -0.038729 tlogG= -0.621077 logG= -0.659806 Density= 3.417215 ETOT(band)= -1.565947 trlgG= -2.232478 logG= -0.659806 TDE= -4.398168 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038908 tlogG= -0.620208 logG= -0.659116 Density= 3.418042 ETOT(band)= -1.564248 trlgG= -2.230487 logG= -0.659116 TDE= -4.397550 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038850 tlogG= -0.620209 logG= -0.659059 Density= 3.417457 ETOT(band)= -1.564888 trlgG= -2.231634 logG= -0.659059 TDE= -4.398270 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038868 tlogG= -0.622204 logG= -0.661072 Density= 3.417519 ETOT(band)= -1.566191 trlgG= -2.235497 logG= -0.661072 TDE= -4.400172 logGD-logG0= -0.039049 tlogG= -0.617998 logG= -0.657047 Density= 3.419220 ETOT(band)= -1.561783 trlgG= -2.226107 logG= -0.657047 TDE= -4.396214 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038836 tlogG= -0.624863 logG= -0.663699 Density= 3.416971 ETOT(band)= -1.568606 trlgG= -2.241551 logG= -0.663699 TDE= -4.403146 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038683 tlogG= -0.623152 logG= -0.661835 Density= 3.416737 ETOT(band)= -1.567845 trlgG= -2.236484 logG= -0.661835 TDE= -4.399748 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039016 tlogG= -0.620610 logG= -0.659626 Density= 3.419162 ETOT(band)= -1.563901 trlgG= -2.229878 logG= -0.659626 TDE= -4.397357 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038725 tlogG= -0.625465 logG= -0.664191 Density= 3.416472 ETOT(band)= -1.569628 trlgG= -2.242173 logG= -0.664191 TDE= -4.402863 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038755 tlogG= -0.620833 logG= -0.659588 Density= 3.417063 ETOT(band)= -1.565835 trlgG= -2.232301 logG= -0.659588 TDE= -4.398082 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039050 tlogG= -0.617272 logG= -0.656322 Density= 3.418769 ETOT(band)= -1.561347 trlgG= -2.226612 logG= -0.656322 TDE= -4.397070 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.039120 tlogG= -0.614170 logG= -0.653290 Density= 3.419496 ETOT(band)= -1.558502 trlgG= -2.220754 logG= -0.653290 TDE= -4.394846 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038857 tlogG= -0.622784 logG= -0.661641 Density= 3.417152 ETOT(band)= -1.566943 trlgG= -2.237314 logG= -0.661641 TDE= -4.401116 logGD-logG0= -0.038842 tlogG= -0.618344 logG= -0.657186 Density= 3.417808 ETOT(band)= -1.563269 trlgG= -2.227527 logG= -0.657186 TDE= -4.396326 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038946 tlogG= -0.617560 logG= -0.656507 Density= 3.417840 ETOT(band)= -1.562495 trlgG= -2.227595 logG= -0.656507 TDE= -4.397100 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038732 tlogG= -0.627220 logG= -0.665952 Density= 3.416394 ETOT(band)= -1.570887 trlgG= -2.245676 logG= -0.665952 TDE= -4.404541 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039206 tlogG= -0.613129 logG= -0.652335 Density= 3.419452 ETOT(band)= -1.557562 trlgG= -2.221051 logG= -0.652335 TDE= -4.396061 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039030 tlogG= -0.614331 logG= -0.653361 Density= 3.418859 ETOT(band)= -1.559170 trlgG= -2.221394 logG= -0.653361 TDE= -4.394887 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038782 tlogG= -0.625335 logG= -0.664117 Density= 3.416897 ETOT(band)= -1.569123 trlgG= -2.241601 logG= -0.664117 TDE= -4.402716 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038956 tlogG= -0.619608 logG= -0.658564 Density= 3.418014 ETOT(band)= -1.563790 trlgG= -2.230552 logG= -0.658564 TDE= -4.398144 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039305 tlogG= -0.610625 logG= -0.649931 Density= 3.420351 ETOT(band)= -1.554869 trlgG= -2.216563 logG= -0.649931 TDE= -4.394720 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038958 tlogG= -0.620413 logG= -0.659372 Density= 3.418575 ETOT(band)= -1.564096 trlgG= -2.230188 logG= -0.659372 TDE= -4.397437 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039190 tlogG= -0.613586 logG= -0.652776 Density= 3.419714 ETOT(band)= -1.557759 trlgG= -2.220997 logG= -0.652776 TDE= -4.395783 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038803 tlogG= -0.623240 logG= -0.662043 Density= 3.417072 ETOT(band)= -1.567441 trlgG= -2.237406 logG= -0.662043 TDE= -4.400740 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039427 tlogG= -0.609834 logG= -0.649260 Density= 3.420908 ETOT(band)= -1.553684 trlgG= -2.215634 logG= -0.649260 TDE= -4.394922 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039047 tlogG= -0.617643 logG= -0.656691 Density= 3.418983 ETOT(band)= -1.561584 trlgG= -2.226520 logG= -0.656691 TDE= -4.396786 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038896 tlogG= -0.617967 logG= -0.656862 Density= 3.417822 ETOT(band)= -1.562898 trlgG= -2.227714 logG= -0.656862 TDE= -4.396849 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 Sum of eigenvalues= -1021.48714899773 eV TrLogG= -1457.87772925602 eV Ratio to renormalize= 0.999620984826 rho-rho_expected= 0.062182056426 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 107 3) Finished k-point number 4 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 24) Finished k-point number 25 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800673266317709 0.802409510777943 0.802382782479575 0.800248536946179 0.802942315760064 0.802345010763867 0.800971018632535 0.802270654530592 0.802484735214393 0.800882942646881 0.802471929718748 0.802389713739233 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039034 tlogG= -0.616368 logG= -0.655402 Density= 3.418662 ETOT(band)= -1.560827 trlgG= -2.225381 logG= -0.655402 TDE= -4.396670 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038976 tlogG= -0.616880 logG= -0.655856 Density= 3.418544 ETOT(band)= -1.561418 trlgG= -2.225278 logG= -0.655856 TDE= -4.396017 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038888 tlogG= -0.622808 logG= -0.661696 Density= 3.418101 ETOT(band)= -1.566384 trlgG= -2.234691 logG= -0.661696 TDE= -4.399223 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038730 tlogG= -0.627218 logG= -0.665948 Density= 3.416388 ETOT(band)= -1.570881 trlgG= -2.245666 logG= -0.665948 TDE= -4.404530 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038638 tlogG= -0.627773 logG= -0.666411 Density= 3.416121 ETOT(band)= -1.571611 trlgG= -2.245244 logG= -0.666411 TDE= -4.403423 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038827 tlogG= -0.626624 logG= -0.665452 Density= 3.416692 ETOT(band)= -1.570086 trlgG= -2.245302 logG= -0.665452 TDE= -4.404914 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038750 tlogG= -0.623677 logG= -0.662427 Density= 3.417029 ETOT(band)= -1.567889 trlgG= -2.237357 logG= -0.662427 TDE= -4.400271 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038785 tlogG= -0.622460 logG= -0.661245 Density= 3.416741 ETOT(band)= -1.567195 trlgG= -2.236658 logG= -0.661245 TDE= -4.400515 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038840 tlogG= -0.618342 logG= -0.657182 Density= 3.417802 ETOT(band)= -1.563263 trlgG= -2.227517 logG= -0.657182 TDE= -4.396315 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038786 tlogG= -0.620576 logG= -0.659363 Density= 3.416916 ETOT(band)= -1.565699 trlgG= -2.232256 logG= -0.659363 TDE= -4.398141 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039204 tlogG= -0.613127 logG= -0.652331 Density= 3.419445 ETOT(band)= -1.557557 trlgG= -2.221040 logG= -0.652331 TDE= -4.396049 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038902 tlogG= -0.619767 logG= -0.658669 Density= 3.417498 ETOT(band)= -1.564422 trlgG= -2.231222 logG= -0.658669 TDE= -4.398282 logGD-logG0= -0.039028 tlogG= -0.614329 logG= -0.653357 Density= 3.418853 ETOT(band)= -1.559164 trlgG= -2.221383 logG= -0.653357 TDE= -4.394876 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038802 tlogG= -0.624964 logG= -0.663766 Density= 3.416654 ETOT(band)= -1.569007 trlgG= -2.242004 logG= -0.663766 TDE= -4.403270 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039015 tlogG= -0.620607 logG= -0.659622 Density= 3.419156 ETOT(band)= -1.563895 trlgG= -2.229868 logG= -0.659622 TDE= -4.397347 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038727 tlogG= -0.621074 logG= -0.659802 Density= 3.417209 ETOT(band)= -1.565941 trlgG= -2.232469 logG= -0.659802 TDE= -4.398158 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038916 tlogG= -0.620397 logG= -0.659313 Density= 3.418231 ETOT(band)= -1.564417 trlgG= -2.230654 logG= -0.659313 TDE= -4.397676 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039047 tlogG= -0.617995 logG= -0.657042 Density= 3.419214 ETOT(band)= -1.561777 trlgG= -2.226097 logG= -0.657042 TDE= -4.396203 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039115 tlogG= -0.613742 logG= -0.652857 Density= 3.419150 ETOT(band)= -1.558376 trlgG= -2.221562 logG= -0.652857 TDE= -4.395800 logGD-logG0= -0.038936 tlogG= -0.620021 logG= -0.658957 Density= 3.418104 ETOT(band)= -1.564133 trlgG= -2.230761 logG= -0.658957 TDE= -4.398034 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038956 tlogG= -0.620411 logG= -0.659367 Density= 3.418570 ETOT(band)= -1.564089 trlgG= -2.230178 logG= -0.659367 TDE= -4.397427 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038795 tlogG= -0.620606 logG= -0.659400 Density= 3.417418 ETOT(band)= -1.565285 trlgG= -2.231642 logG= -0.659400 TDE= -4.397905 logGD-logG0= -0.038855 tlogG= -0.622782 logG= -0.661637 Density= 3.417146 ETOT(band)= -1.566937 trlgG= -2.237304 logG= -0.661637 TDE= -4.401105 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038874 tlogG= -0.622527 logG= -0.661401 Density= 3.417787 ETOT(band)= -1.566321 trlgG= -2.235178 logG= -0.661401 TDE= -4.399746 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038866 tlogG= -0.622202 logG= -0.661068 Density= 3.417513 ETOT(band)= -1.566185 trlgG= -2.235487 logG= -0.661068 TDE= -4.400161 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038730 tlogG= -0.622828 logG= -0.661558 Density= 3.416730 ETOT(band)= -1.567547 trlgG= -2.236566 logG= -0.661558 TDE= -4.400102 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038780 tlogG= -0.625333 logG= -0.664113 Density= 3.416892 ETOT(band)= -1.569117 trlgG= -2.241590 logG= -0.664113 TDE= -4.402706 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038801 tlogG= -0.623238 logG= -0.662039 Density= 3.417066 ETOT(band)= -1.567435 trlgG= -2.237396 logG= -0.662039 TDE= -4.400729 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038848 tlogG= -0.620207 logG= -0.659055 Density= 3.417451 ETOT(band)= -1.564883 trlgG= -2.231625 logG= -0.659055 TDE= -4.398260 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039045 tlogG= -0.617641 logG= -0.656686 Density= 3.418977 ETOT(band)= -1.561578 trlgG= -2.226509 logG= -0.656686 TDE= -4.396775 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038732 tlogG= -0.625777 logG= -0.664510 Density= 3.416847 ETOT(band)= -1.569581 trlgG= -2.241052 logG= -0.664510 TDE= -4.401733 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039048 tlogG= -0.617269 logG= -0.656318 Density= 3.418763 ETOT(band)= -1.561342 trlgG= -2.226601 logG= -0.656318 TDE= -4.397058 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.039303 tlogG= -0.610623 logG= -0.649926 Density= 3.420345 ETOT(band)= -1.554864 trlgG= -2.216551 logG= -0.649926 TDE= -4.394708 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038906 tlogG= -0.620206 logG= -0.659111 Density= 3.418036 ETOT(band)= -1.564242 trlgG= -2.230477 logG= -0.659111 TDE= -4.397540 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038681 tlogG= -0.623150 logG= -0.661831 Density= 3.416731 ETOT(band)= -1.567840 trlgG= -2.236475 logG= -0.661831 TDE= -4.399739 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038834 tlogG= -0.624860 logG= -0.663694 Density= 3.416965 ETOT(band)= -1.568601 trlgG= -2.241541 logG= -0.663694 TDE= -4.403136 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038954 tlogG= -0.619606 logG= -0.658560 Density= 3.418008 ETOT(band)= -1.563784 trlgG= -2.230541 logG= -0.658560 TDE= -4.398132 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=119 logGD-logG0= -0.039097 tlogG= -0.615852 logG= -0.654949 Density= 3.418811 ETOT(band)= -1.560213 trlgG= -2.225068 logG= -0.654949 TDE= -4.396933 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039261 tlogG= -0.612982 logG= -0.652244 Density= 3.419948 ETOT(band)= -1.556978 trlgG= -2.220542 logG= -0.652244 TDE= -4.396053 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.039181 tlogG= -0.611340 logG= -0.650522 Density= 3.419813 ETOT(band)= -1.555948 trlgG= -2.216561 logG= -0.650522 TDE= -4.393683 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038646 tlogG= -0.625924 logG= -0.664570 Density= 3.416296 ETOT(band)= -1.570179 trlgG= -2.241749 logG= -0.664570 TDE= -4.401914 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038894 tlogG= -0.617964 logG= -0.656858 Density= 3.417816 ETOT(band)= -1.562892 trlgG= -2.227703 logG= -0.656858 TDE= -4.396837 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.038753 tlogG= -0.620831 logG= -0.659584 Density= 3.417057 ETOT(band)= -1.565829 trlgG= -2.232291 logG= -0.659584 TDE= -4.398072 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038723 tlogG= -0.625463 logG= -0.664186 Density= 3.416466 ETOT(band)= -1.569623 trlgG= -2.242163 logG= -0.664186 TDE= -4.402852 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039118 tlogG= -0.614168 logG= -0.653286 Density= 3.419490 ETOT(band)= -1.558496 trlgG= -2.220743 logG= -0.653286 TDE= -4.394834 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038944 tlogG= -0.617558 logG= -0.656503 Density= 3.417834 ETOT(band)= -1.562490 trlgG= -2.227584 logG= -0.656503 TDE= -4.397088 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039188 tlogG= -0.613583 logG= -0.652772 Density= 3.419708 ETOT(band)= -1.557754 trlgG= -2.220986 logG= -0.652772 TDE= -4.395771 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039425 tlogG= -0.609832 logG= -0.649256 Density= 3.420901 ETOT(band)= -1.553678 trlgG= -2.215623 logG= -0.649256 TDE= -4.394910 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 Sum of eigenvalues= -1021.48343074131 eV TrLogG= -1457.86773795063 eV Ratio to renormalize= 0.999622734039 rho-rho_expected= 0.061894968409 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 7) Finished k-point number 8 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 15) Finished k-point number 16 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 47) Finished k-point number 48 1 with #bands= 104 43) Finished k-point number 44 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800673463815275 0.802408931642801 0.802382858565943 0.800248746519935 0.802941726244221 0.802344993592511 0.800971299416684 0.802269971674442 0.802484761770660 0.800883219908172 0.802471275260339 0.802389761086168 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038828 tlogG= -0.626614 logG= -0.665441 Density= 3.416692 ETOT(band)= -1.570059 trlgG= -2.245265 logG= -0.665441 TDE= -4.404887 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038733 tlogG= -0.625767 logG= -0.664499 Density= 3.416847 ETOT(band)= -1.569554 trlgG= -2.241014 logG= -0.664499 TDE= -4.401706 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038936 tlogG= -0.620010 logG= -0.658946 Density= 3.418103 ETOT(band)= -1.564106 trlgG= -2.230723 logG= -0.658946 TDE= -4.398007 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038646 tlogG= -0.625913 logG= -0.664560 Density= 3.416296 ETOT(band)= -1.570153 trlgG= -2.241712 logG= -0.664560 TDE= -4.401888 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038638 tlogG= -0.627762 logG= -0.666401 Density= 3.416121 ETOT(band)= -1.571584 trlgG= -2.245206 logG= -0.666401 TDE= -4.403396 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038803 tlogG= -0.624953 logG= -0.663755 Density= 3.416654 ETOT(band)= -1.568981 trlgG= -2.241967 logG= -0.663755 TDE= -4.403243 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038916 tlogG= -0.620386 logG= -0.659302 Density= 3.418230 ETOT(band)= -1.564391 trlgG= -2.230617 logG= -0.659302 TDE= -4.397649 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038976 tlogG= -0.616868 logG= -0.655845 Density= 3.418544 ETOT(band)= -1.561391 trlgG= -2.225240 logG= -0.655845 TDE= -4.395990 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038786 tlogG= -0.622449 logG= -0.661235 Density= 3.416740 ETOT(band)= -1.567168 trlgG= -2.236620 logG= -0.661235 TDE= -4.400489 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039034 tlogG= -0.616357 logG= -0.655391 Density= 3.418661 ETOT(band)= -1.560801 trlgG= -2.225343 logG= -0.655391 TDE= -4.396643 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038724 tlogG= -0.625452 logG= -0.664176 Density= 3.416466 ETOT(band)= -1.569596 trlgG= -2.242125 logG= -0.664176 TDE= -4.402826 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039115 tlogG= -0.613731 logG= -0.652846 Density= 3.419150 ETOT(band)= -1.558349 trlgG= -2.221524 logG= -0.652846 TDE= -4.395773 logGD-logG0= -0.039189 tlogG= -0.613572 logG= -0.652761 Density= 3.419708 ETOT(band)= -1.557727 trlgG= -2.220948 logG= -0.652761 TDE= -4.395744 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039045 tlogG= -0.617630 logG= -0.656675 Density= 3.418976 ETOT(band)= -1.561552 trlgG= -2.226471 logG= -0.656675 TDE= -4.396748 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038751 tlogG= -0.623666 logG= -0.662416 Density= 3.417028 ETOT(band)= -1.567862 trlgG= -2.237320 logG= -0.662416 TDE= -4.400245 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038795 tlogG= -0.620595 logG= -0.659390 Density= 3.417418 ETOT(band)= -1.565258 trlgG= -2.231605 logG= -0.659390 TDE= -4.397878 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038945 tlogG= -0.617547 logG= -0.656492 Density= 3.417834 ETOT(band)= -1.562463 trlgG= -2.227546 logG= -0.656492 TDE= -4.397061 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038954 tlogG= -0.619595 logG= -0.658549 Density= 3.418008 ETOT(band)= -1.563757 trlgG= -2.230504 logG= -0.658549 TDE= -4.398106 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=119 logGD-logG0= -0.039028 tlogG= -0.614318 logG= -0.653346 Density= 3.418853 ETOT(band)= -1.559137 trlgG= -2.221345 logG= -0.653346 TDE= -4.394848 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039262 tlogG= -0.612971 logG= -0.652233 Density= 3.419947 ETOT(band)= -1.556952 trlgG= -2.220504 logG= -0.652233 TDE= -4.396026 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038875 tlogG= -0.622516 logG= -0.661390 Density= 3.417787 ETOT(band)= -1.566294 trlgG= -2.235141 logG= -0.661390 TDE= -4.399719 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038786 tlogG= -0.620565 logG= -0.659352 Density= 3.416916 ETOT(band)= -1.565672 trlgG= -2.232219 logG= -0.659352 TDE= -4.398114 logGD-logG0= -0.038728 tlogG= -0.621063 logG= -0.659791 Density= 3.417209 ETOT(band)= -1.565914 trlgG= -2.232432 logG= -0.659791 TDE= -4.398131 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039425 tlogG= -0.609820 logG= -0.649245 Density= 3.420901 ETOT(band)= -1.553651 trlgG= -2.215585 logG= -0.649245 TDE= -4.394883 logGD-logG0= -0.038731 tlogG= -0.627207 logG= -0.665938 Density= 3.416388 ETOT(band)= -1.570855 trlgG= -2.245629 logG= -0.665938 TDE= -4.404503 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039204 tlogG= -0.613116 logG= -0.652319 Density= 3.419445 ETOT(band)= -1.557530 trlgG= -2.221002 logG= -0.652319 TDE= -4.396022 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038840 tlogG= -0.618331 logG= -0.657171 Density= 3.417801 ETOT(band)= -1.563236 trlgG= -2.227479 logG= -0.657171 TDE= -4.396288 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038848 tlogG= -0.620196 logG= -0.659044 Density= 3.417450 ETOT(band)= -1.564856 trlgG= -2.231587 logG= -0.659044 TDE= -4.398233 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039304 tlogG= -0.610612 logG= -0.649915 Density= 3.420345 ETOT(band)= -1.554837 trlgG= -2.216513 logG= -0.649915 TDE= -4.394681 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038780 tlogG= -0.625322 logG= -0.664102 Density= 3.416891 ETOT(band)= -1.569091 trlgG= -2.241553 logG= -0.664102 TDE= -4.402679 logGD-logG0= -0.038802 tlogG= -0.623227 logG= -0.662028 Density= 3.417066 ETOT(band)= -1.567409 trlgG= -2.237359 logG= -0.662028 TDE= -4.400703 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039097 tlogG= -0.615841 logG= -0.654938 Density= 3.418810 ETOT(band)= -1.560186 trlgG= -2.225030 logG= -0.654938 TDE= -4.396906 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039047 tlogG= -0.617984 logG= -0.657031 Density= 3.419214 ETOT(band)= -1.561751 trlgG= -2.226059 logG= -0.657031 TDE= -4.396176 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038894 tlogG= -0.617953 logG= -0.656847 Density= 3.417816 ETOT(band)= -1.562865 trlgG= -2.227665 logG= -0.656847 TDE= -4.396810 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.038753 tlogG= -0.620820 logG= -0.659573 Density= 3.417057 ETOT(band)= -1.565802 trlgG= -2.232254 logG= -0.659573 TDE= -4.398045 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038681 tlogG= -0.623139 logG= -0.661820 Density= 3.416731 ETOT(band)= -1.567813 trlgG= -2.236437 logG= -0.661820 TDE= -4.399712 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038888 tlogG= -0.622797 logG= -0.661685 Density= 3.418100 ETOT(band)= -1.566357 trlgG= -2.234654 logG= -0.661685 TDE= -4.399196 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039118 tlogG= -0.614157 logG= -0.653275 Density= 3.419490 ETOT(band)= -1.558470 trlgG= -2.220705 logG= -0.653275 TDE= -4.394807 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038855 tlogG= -0.622771 logG= -0.661626 Density= 3.417146 ETOT(band)= -1.566910 trlgG= -2.237267 logG= -0.661626 TDE= -4.401079 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038834 tlogG= -0.624849 logG= -0.663684 Density= 3.416965 ETOT(band)= -1.568574 trlgG= -2.241504 logG= -0.663684 TDE= -4.403109 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038902 tlogG= -0.619756 logG= -0.658658 Density= 3.417497 ETOT(band)= -1.564396 trlgG= -2.231185 logG= -0.658658 TDE= -4.398255 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038731 tlogG= -0.622817 logG= -0.661548 Density= 3.416729 ETOT(band)= -1.567521 trlgG= -2.236529 logG= -0.661548 TDE= -4.400075 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039049 tlogG= -0.617258 logG= -0.656307 Density= 3.418762 ETOT(band)= -1.561315 trlgG= -2.226564 logG= -0.656307 TDE= -4.397032 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038866 tlogG= -0.622191 logG= -0.661057 Density= 3.417512 ETOT(band)= -1.566159 trlgG= -2.235450 logG= -0.661057 TDE= -4.400134 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038906 tlogG= -0.620195 logG= -0.659101 Density= 3.418035 ETOT(band)= -1.564216 trlgG= -2.230440 logG= -0.659101 TDE= -4.397513 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039182 tlogG= -0.611329 logG= -0.650511 Density= 3.419813 ETOT(band)= -1.555921 trlgG= -2.216523 logG= -0.650511 TDE= -4.393656 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038956 tlogG= -0.620400 logG= -0.659357 Density= 3.418569 ETOT(band)= -1.564063 trlgG= -2.230141 logG= -0.659357 TDE= -4.397400 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039015 tlogG= -0.620596 logG= -0.659611 Density= 3.419156 ETOT(band)= -1.563868 trlgG= -2.229831 logG= -0.659611 TDE= -4.397320 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 Sum of eigenvalues= -1021.46600904261 eV TrLogG= -1457.84314270416 eV Ratio to renormalize= 0.999622812273 rho-rho_expected= 0.061882128389 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 25) Finished k-point number 26 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 29) Finished k-point number 30 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 37) Finished k-point number 38 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800672496159791 0.802408514316935 0.802382656856996 0.800247760308134 0.802941317996763 0.802344863642811 0.800970287729951 0.802269630863120 0.802484590123773 0.800882221051364 0.802470913559449 0.802389572985323 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038750 tlogG= -0.623668 logG= -0.662418 Density= 3.417028 ETOT(band)= -1.567873 trlgG= -2.237333 logG= -0.662418 TDE= -4.400255 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038732 tlogG= -0.625769 logG= -0.664501 Density= 3.416846 ETOT(band)= -1.569565 trlgG= -2.241027 logG= -0.664501 TDE= -4.401717 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038827 tlogG= -0.626615 logG= -0.665443 Density= 3.416691 ETOT(band)= -1.570070 trlgG= -2.245278 logG= -0.665443 TDE= -4.404897 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038638 tlogG= -0.627764 logG= -0.666402 Density= 3.416120 ETOT(band)= -1.571595 trlgG= -2.245219 logG= -0.666402 TDE= -4.403407 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038936 tlogG= -0.620012 logG= -0.658948 Density= 3.418103 ETOT(band)= -1.564117 trlgG= -2.230736 logG= -0.658948 TDE= -4.398017 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038794 tlogG= -0.620597 logG= -0.659391 Density= 3.417417 ETOT(band)= -1.565269 trlgG= -2.231617 logG= -0.659391 TDE= -4.397888 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039261 tlogG= -0.612973 logG= -0.652234 Density= 3.419947 ETOT(band)= -1.556963 trlgG= -2.220517 logG= -0.652234 TDE= -4.396036 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038802 tlogG= -0.624955 logG= -0.663757 Density= 3.416653 ETOT(band)= -1.568992 trlgG= -2.241979 logG= -0.663757 TDE= -4.403253 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038840 tlogG= -0.618333 logG= -0.657173 Density= 3.417801 ETOT(band)= -1.563247 trlgG= -2.227492 logG= -0.657173 TDE= -4.396298 logGD-logG0= -0.038902 tlogG= -0.619758 logG= -0.658660 Density= 3.417497 ETOT(band)= -1.564407 trlgG= -2.231198 logG= -0.658660 TDE= -4.398266 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039028 tlogG= -0.614320 logG= -0.653347 Density= 3.418852 ETOT(band)= -1.559148 trlgG= -2.221357 logG= -0.653347 TDE= -4.394859 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038646 tlogG= -0.625915 logG= -0.664561 Density= 3.416295 ETOT(band)= -1.570164 trlgG= -2.241724 logG= -0.664561 TDE= -4.401898 logGD-logG0= -0.038727 tlogG= -0.621065 logG= -0.659792 Density= 3.417208 ETOT(band)= -1.565925 trlgG= -2.232445 logG= -0.659792 TDE= -4.398142 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039115 tlogG= -0.613733 logG= -0.652848 Density= 3.419149 ETOT(band)= -1.558361 trlgG= -2.221536 logG= -0.652848 TDE= -4.395783 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038786 tlogG= -0.620567 logG= -0.659353 Density= 3.416915 ETOT(band)= -1.565683 trlgG= -2.232231 logG= -0.659353 TDE= -4.398125 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038780 tlogG= -0.625324 logG= -0.664104 Density= 3.416891 ETOT(band)= -1.569101 trlgG= -2.241566 logG= -0.664104 TDE= -4.402689 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038976 tlogG= -0.616870 logG= -0.655846 Density= 3.418543 ETOT(band)= -1.561402 trlgG= -2.225253 logG= -0.655846 TDE= -4.396000 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038888 tlogG= -0.622799 logG= -0.661687 Density= 3.418100 ETOT(band)= -1.566368 trlgG= -2.234667 logG= -0.661687 TDE= -4.399207 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038916 tlogG= -0.620388 logG= -0.659304 Density= 3.418230 ETOT(band)= -1.564402 trlgG= -2.230629 logG= -0.659304 TDE= -4.397660 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038865 tlogG= -0.622193 logG= -0.661058 Density= 3.417512 ETOT(band)= -1.566169 trlgG= -2.235462 logG= -0.661058 TDE= -4.400144 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039096 tlogG= -0.615843 logG= -0.654940 Density= 3.418810 ETOT(band)= -1.560197 trlgG= -2.225042 logG= -0.654940 TDE= -4.396916 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038834 tlogG= -0.624851 logG= -0.663685 Density= 3.416964 ETOT(band)= -1.568585 trlgG= -2.241517 logG= -0.663685 TDE= -4.403119 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038785 tlogG= -0.622451 logG= -0.661236 Density= 3.416740 ETOT(band)= -1.567179 trlgG= -2.236633 logG= -0.661236 TDE= -4.400499 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039303 tlogG= -0.610614 logG= -0.649917 Density= 3.420344 ETOT(band)= -1.554848 trlgG= -2.216526 logG= -0.649917 TDE= -4.394691 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039014 tlogG= -0.620598 logG= -0.659613 Density= 3.419155 ETOT(band)= -1.563879 trlgG= -2.229844 logG= -0.659613 TDE= -4.397331 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039034 tlogG= -0.616359 logG= -0.655393 Density= 3.418661 ETOT(band)= -1.560812 trlgG= -2.225356 logG= -0.655393 TDE= -4.396653 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038954 tlogG= -0.619597 logG= -0.658551 Density= 3.418007 ETOT(band)= -1.563768 trlgG= -2.230516 logG= -0.658551 TDE= -4.398116 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=119 logGD-logG0= -0.038906 tlogG= -0.620197 logG= -0.659102 Density= 3.418035 ETOT(band)= -1.564227 trlgG= -2.230453 logG= -0.659102 TDE= -4.397523 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039424 tlogG= -0.609822 logG= -0.649247 Density= 3.420900 ETOT(band)= -1.553662 trlgG= -2.215597 logG= -0.649247 TDE= -4.394893 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039188 tlogG= -0.613574 logG= -0.652762 Density= 3.419707 ETOT(band)= -1.557738 trlgG= -2.220960 logG= -0.652762 TDE= -4.395754 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038893 tlogG= -0.617955 logG= -0.656849 Density= 3.417815 ETOT(band)= -1.562876 trlgG= -2.227678 logG= -0.656849 TDE= -4.396821 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.038874 tlogG= -0.622518 logG= -0.661392 Density= 3.417786 ETOT(band)= -1.566305 trlgG= -2.235153 logG= -0.661392 TDE= -4.399729 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039203 tlogG= -0.613118 logG= -0.652321 Density= 3.419444 ETOT(band)= -1.557541 trlgG= -2.221015 logG= -0.652321 TDE= -4.396032 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039118 tlogG= -0.614159 logG= -0.653277 Density= 3.419489 ETOT(band)= -1.558481 trlgG= -2.220718 logG= -0.653277 TDE= -4.394817 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038730 tlogG= -0.627209 logG= -0.665939 Density= 3.416387 ETOT(band)= -1.570866 trlgG= -2.245641 logG= -0.665939 TDE= -4.404513 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038956 tlogG= -0.620402 logG= -0.659358 Density= 3.418569 ETOT(band)= -1.564074 trlgG= -2.230154 logG= -0.659358 TDE= -4.397410 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038801 tlogG= -0.623229 logG= -0.662030 Density= 3.417065 ETOT(band)= -1.567420 trlgG= -2.237371 logG= -0.662030 TDE= -4.400713 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038730 tlogG= -0.622819 logG= -0.661549 Density= 3.416729 ETOT(band)= -1.567532 trlgG= -2.236542 logG= -0.661549 TDE= -4.400085 logGD-logG0= -0.039048 tlogG= -0.617260 logG= -0.656308 Density= 3.418762 ETOT(band)= -1.561326 trlgG= -2.226576 logG= -0.656308 TDE= -4.397042 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039181 tlogG= -0.611331 logG= -0.650512 Density= 3.419812 ETOT(band)= -1.555932 trlgG= -2.216536 logG= -0.650512 TDE= -4.393666 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038855 tlogG= -0.622773 logG= -0.661627 Density= 3.417145 ETOT(band)= -1.566921 trlgG= -2.237279 logG= -0.661627 TDE= -4.401089 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038681 tlogG= -0.623141 logG= -0.661822 Density= 3.416730 ETOT(band)= -1.567824 trlgG= -2.236450 logG= -0.661822 TDE= -4.399723 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039045 tlogG= -0.617632 logG= -0.656677 Density= 3.418976 ETOT(band)= -1.561562 trlgG= -2.226484 logG= -0.656677 TDE= -4.396758 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039047 tlogG= -0.617986 logG= -0.657033 Density= 3.419213 ETOT(band)= -1.561761 trlgG= -2.226072 logG= -0.657033 TDE= -4.396186 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038723 tlogG= -0.625454 logG= -0.664177 Density= 3.416465 ETOT(band)= -1.569607 trlgG= -2.242138 logG= -0.664177 TDE= -4.402836 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038944 tlogG= -0.617549 logG= -0.656493 Density= 3.417833 ETOT(band)= -1.562474 trlgG= -2.227558 logG= -0.656493 TDE= -4.397072 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038753 tlogG= -0.620822 logG= -0.659575 Density= 3.417056 ETOT(band)= -1.565813 trlgG= -2.232266 logG= -0.659575 TDE= -4.398056 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038848 tlogG= -0.620198 logG= -0.659046 Density= 3.417450 ETOT(band)= -1.564867 trlgG= -2.231600 logG= -0.659046 TDE= -4.398243 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 Sum of eigenvalues= -1021.47319198865 eV TrLogG= -1457.85092373000 eV Ratio to renormalize= 0.999623029529 rho-rho_expected= 0.061846471560 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 21) Finished k-point number 22 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 19) Finished k-point number 20 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 45) Finished k-point number 46 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800636310631534 0.802382201672205 0.802354325812590 0.800211279487995 0.802915508474450 0.802316686751882 0.800934131655178 0.802243575786943 0.802456363099850 0.800846119672780 0.802444831614197 0.802361284766385 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038629 tlogG= -0.627789 logG= -0.666418 Density= 3.416093 ETOT(band)= -1.571590 trlgG= -2.245229 logG= -0.666418 TDE= -4.403379 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.039106 tlogG= -0.613757 logG= -0.652863 Density= 3.419122 ETOT(band)= -1.558355 trlgG= -2.221540 logG= -0.652863 TDE= -4.395749 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038724 tlogG= -0.625793 logG= -0.664516 Density= 3.416820 ETOT(band)= -1.569559 trlgG= -2.241038 logG= -0.664516 TDE= -4.401690 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038819 tlogG= -0.626640 logG= -0.665459 Density= 3.416664 ETOT(band)= -1.570065 trlgG= -2.245288 logG= -0.665459 TDE= -4.404869 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038794 tlogG= -0.624979 logG= -0.663773 Density= 3.416627 ETOT(band)= -1.568986 trlgG= -2.241989 logG= -0.663773 TDE= -4.403225 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038893 tlogG= -0.619782 logG= -0.658675 Density= 3.417470 ETOT(band)= -1.564400 trlgG= -2.231208 logG= -0.658675 TDE= -4.398238 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038786 tlogG= -0.620620 logG= -0.659406 Density= 3.417390 ETOT(band)= -1.565263 trlgG= -2.231628 logG= -0.659406 TDE= -4.397862 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038879 tlogG= -0.622823 logG= -0.661702 Density= 3.418074 ETOT(band)= -1.566361 trlgG= -2.234678 logG= -0.661702 TDE= -4.399182 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038777 tlogG= -0.622475 logG= -0.661252 Density= 3.416713 ETOT(band)= -1.567173 trlgG= -2.236641 logG= -0.661252 TDE= -4.400470 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039416 tlogG= -0.609846 logG= -0.649262 Density= 3.420872 ETOT(band)= -1.553657 trlgG= -2.215603 logG= -0.649262 TDE= -4.394860 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038968 tlogG= -0.616894 logG= -0.655862 Density= 3.418517 ETOT(band)= -1.561396 trlgG= -2.225260 logG= -0.655862 TDE= -4.395970 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038907 tlogG= -0.620412 logG= -0.659319 Density= 3.418203 ETOT(band)= -1.564395 trlgG= -2.230639 logG= -0.659319 TDE= -4.397633 logGD-logG0= -0.038946 tlogG= -0.619621 logG= -0.658566 Density= 3.417981 ETOT(band)= -1.563762 trlgG= -2.230524 logG= -0.658566 TDE= -4.398087 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038719 tlogG= -0.621088 logG= -0.659807 Density= 3.417182 ETOT(band)= -1.565918 trlgG= -2.232458 logG= -0.659807 TDE= -4.398119 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038927 tlogG= -0.620036 logG= -0.658963 Density= 3.418076 ETOT(band)= -1.564111 trlgG= -2.230745 logG= -0.658963 TDE= -4.397989 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038742 tlogG= -0.623692 logG= -0.662433 Density= 3.417001 ETOT(band)= -1.567867 trlgG= -2.237345 logG= -0.662433 TDE= -4.400230 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038722 tlogG= -0.627233 logG= -0.665955 Density= 3.416361 ETOT(band)= -1.570860 trlgG= -2.245651 logG= -0.665955 TDE= -4.404485 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039037 tlogG= -0.617655 logG= -0.656692 Density= 3.418949 ETOT(band)= -1.561556 trlgG= -2.226490 logG= -0.656692 TDE= -4.396727 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039180 tlogG= -0.613598 logG= -0.652778 Density= 3.419680 ETOT(band)= -1.557732 trlgG= -2.220964 logG= -0.652778 TDE= -4.395720 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038866 tlogG= -0.622541 logG= -0.661407 Density= 3.417760 ETOT(band)= -1.566298 trlgG= -2.235161 logG= -0.661407 TDE= -4.399701 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038897 tlogG= -0.620220 logG= -0.659117 Density= 3.418009 ETOT(band)= -1.564220 trlgG= -2.230462 logG= -0.659117 TDE= -4.397496 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039019 tlogG= -0.614343 logG= -0.653362 Density= 3.418825 ETOT(band)= -1.559142 trlgG= -2.221363 logG= -0.653362 TDE= -4.394827 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038778 tlogG= -0.620591 logG= -0.659368 Density= 3.416889 ETOT(band)= -1.565677 trlgG= -2.232241 logG= -0.659368 TDE= -4.398098 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039173 tlogG= -0.611355 logG= -0.650527 Density= 3.419784 ETOT(band)= -1.555927 trlgG= -2.216540 logG= -0.650527 TDE= -4.393632 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038637 tlogG= -0.625939 logG= -0.664577 Density= 3.416269 ETOT(band)= -1.570158 trlgG= -2.241737 logG= -0.664577 TDE= -4.401873 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039295 tlogG= -0.610638 logG= -0.649932 Density= 3.420316 ETOT(band)= -1.554842 trlgG= -2.216530 logG= -0.649932 TDE= -4.394658 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038772 tlogG= -0.625348 logG= -0.664119 Density= 3.416864 ETOT(band)= -1.569096 trlgG= -2.241575 logG= -0.664119 TDE= -4.402661 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038839 tlogG= -0.620222 logG= -0.659061 Density= 3.417423 ETOT(band)= -1.564861 trlgG= -2.231610 logG= -0.659061 TDE= -4.398216 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038793 tlogG= -0.623253 logG= -0.662045 Density= 3.417039 ETOT(band)= -1.567414 trlgG= -2.237381 logG= -0.662045 TDE= -4.400685 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039025 tlogG= -0.616383 logG= -0.655408 Density= 3.418634 ETOT(band)= -1.560805 trlgG= -2.225360 logG= -0.655408 TDE= -4.396620 logGD-logG0= -0.039038 tlogG= -0.618009 logG= -0.657048 Density= 3.419187 ETOT(band)= -1.561754 trlgG= -2.226080 logG= -0.657048 TDE= -4.396158 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038846 tlogG= -0.622797 logG= -0.661643 Density= 3.417118 ETOT(band)= -1.566915 trlgG= -2.237288 logG= -0.661643 TDE= -4.401060 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.039195 tlogG= -0.613142 logG= -0.652337 Density= 3.419417 ETOT(band)= -1.557535 trlgG= -2.221019 logG= -0.652337 TDE= -4.395999 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038857 tlogG= -0.622217 logG= -0.661074 Density= 3.417486 ETOT(band)= -1.566163 trlgG= -2.235470 logG= -0.661074 TDE= -4.400116 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038936 tlogG= -0.617573 logG= -0.656508 Density= 3.417807 ETOT(band)= -1.562468 trlgG= -2.227564 logG= -0.656508 TDE= -4.397040 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038885 tlogG= -0.617979 logG= -0.656864 Density= 3.417788 ETOT(band)= -1.562870 trlgG= -2.227684 logG= -0.656864 TDE= -4.396789 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039040 tlogG= -0.617284 logG= -0.656324 Density= 3.418735 ETOT(band)= -1.561319 trlgG= -2.226582 logG= -0.656324 TDE= -4.397011 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038825 tlogG= -0.624876 logG= -0.663701 Density= 3.416937 ETOT(band)= -1.568580 trlgG= -2.241526 logG= -0.663701 TDE= -4.403091 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038722 tlogG= -0.622843 logG= -0.661564 Density= 3.416702 ETOT(band)= -1.567525 trlgG= -2.236550 logG= -0.661564 TDE= -4.400057 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039006 tlogG= -0.620621 logG= -0.659627 Density= 3.419130 ETOT(band)= -1.563872 trlgG= -2.229856 logG= -0.659627 TDE= -4.397307 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038831 tlogG= -0.618356 logG= -0.657188 Density= 3.417774 ETOT(band)= -1.563240 trlgG= -2.227500 logG= -0.657188 TDE= -4.396270 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038673 tlogG= -0.623164 logG= -0.661837 Density= 3.416704 ETOT(band)= -1.567817 trlgG= -2.236463 logG= -0.661837 TDE= -4.399699 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039253 tlogG= -0.612997 logG= -0.652250 Density= 3.419919 ETOT(band)= -1.556957 trlgG= -2.220521 logG= -0.652250 TDE= -4.396003 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039088 tlogG= -0.615867 logG= -0.654955 Density= 3.418783 ETOT(band)= -1.560191 trlgG= -2.225047 logG= -0.654955 TDE= -4.396883 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038948 tlogG= -0.620425 logG= -0.659373 Density= 3.418543 ETOT(band)= -1.564066 trlgG= -2.230164 logG= -0.659373 TDE= -4.397384 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039109 tlogG= -0.614183 logG= -0.653292 Density= 3.419462 ETOT(band)= -1.558474 trlgG= -2.220724 logG= -0.653292 TDE= -4.394785 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038715 tlogG= -0.625478 logG= -0.664193 Density= 3.416439 ETOT(band)= -1.569601 trlgG= -2.242147 logG= -0.664193 TDE= -4.402807 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038744 tlogG= -0.620845 logG= -0.659590 Density= 3.417030 ETOT(band)= -1.565806 trlgG= -2.232277 logG= -0.659590 TDE= -4.398029 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 Sum of eigenvalues= -1021.46908544328 eV TrLogG= -1457.84200114853 eV Ratio to renormalize= 0.999630822921 rho-rho_expected= 0.060567401127 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 23) Finished k-point number 24 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 8) Finished k-point number 9 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 34) Finished k-point number 35 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 21) Finished k-point number 22 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800656314691507 0.802380354040755 0.802356385587377 0.800231264126580 0.802913149326564 0.802318860595923 0.800953940199383 0.802241595415924 0.802458186025307 0.800866075276713 0.802442922772449 0.802363179335062 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038911 tlogG= -0.620353 logG= -0.659265 Density= 3.418214 ETOT(band)= -1.564316 trlgG= -2.230504 logG= -0.659265 TDE= -4.397561 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038633 tlogG= -0.627729 logG= -0.666363 Density= 3.416105 ETOT(band)= -1.571509 trlgG= -2.245093 logG= -0.666363 TDE= -4.403308 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038745 tlogG= -0.623633 logG= -0.662378 Density= 3.417012 ETOT(band)= -1.567788 trlgG= -2.237209 logG= -0.662378 TDE= -4.400158 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038835 tlogG= -0.618299 logG= -0.657134 Density= 3.417785 ETOT(band)= -1.563162 trlgG= -2.227366 logG= -0.657134 TDE= -4.396198 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038781 tlogG= -0.622417 logG= -0.661197 Density= 3.416724 ETOT(band)= -1.567094 trlgG= -2.236508 logG= -0.661197 TDE= -4.400400 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038870 tlogG= -0.622483 logG= -0.661352 Density= 3.417771 ETOT(band)= -1.566219 trlgG= -2.235028 logG= -0.661352 TDE= -4.399630 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038931 tlogG= -0.619978 logG= -0.658909 Density= 3.418087 ETOT(band)= -1.564032 trlgG= -2.230610 logG= -0.658909 TDE= -4.397918 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038728 tlogG= -0.625734 logG= -0.664461 Density= 3.416831 ETOT(band)= -1.569479 trlgG= -2.240902 logG= -0.664461 TDE= -4.401619 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039029 tlogG= -0.616325 logG= -0.655354 Density= 3.418644 ETOT(band)= -1.560727 trlgG= -2.225225 logG= -0.655354 TDE= -4.396549 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038790 tlogG= -0.620562 logG= -0.659352 Density= 3.417401 ETOT(band)= -1.565184 trlgG= -2.231494 logG= -0.659352 TDE= -4.397791 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038823 tlogG= -0.626581 logG= -0.665403 Density= 3.416676 ETOT(band)= -1.569985 trlgG= -2.245152 logG= -0.665403 TDE= -4.404798 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038940 tlogG= -0.617515 logG= -0.656455 Density= 3.417817 ETOT(band)= -1.562390 trlgG= -2.227431 logG= -0.656455 TDE= -4.396969 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038971 tlogG= -0.616836 logG= -0.655807 Density= 3.418527 ETOT(band)= -1.561317 trlgG= -2.225125 logG= -0.655807 TDE= -4.395898 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039092 tlogG= -0.615809 logG= -0.654901 Density= 3.418793 ETOT(band)= -1.560113 trlgG= -2.224912 logG= -0.654901 TDE= -4.396811 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039110 tlogG= -0.613699 logG= -0.652809 Density= 3.419133 ETOT(band)= -1.558276 trlgG= -2.221406 logG= -0.652809 TDE= -4.395678 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038883 tlogG= -0.622764 logG= -0.661647 Density= 3.418085 ETOT(band)= -1.566282 trlgG= -2.234543 logG= -0.661647 TDE= -4.399110 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038949 tlogG= -0.619563 logG= -0.658512 Density= 3.417991 ETOT(band)= -1.563683 trlgG= -2.230390 logG= -0.658512 TDE= -4.398015 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039420 tlogG= -0.609789 logG= -0.649208 Density= 3.420882 ETOT(band)= -1.553579 trlgG= -2.215468 logG= -0.649208 TDE= -4.394788 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038775 tlogG= -0.625289 logG= -0.664064 Density= 3.416875 ETOT(band)= -1.569016 trlgG= -2.241440 logG= -0.664064 TDE= -4.402590 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.039298 tlogG= -0.610580 logG= -0.649878 Density= 3.420327 ETOT(band)= -1.554764 trlgG= -2.216396 logG= -0.649878 TDE= -4.394586 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038850 tlogG= -0.622738 logG= -0.661588 Density= 3.417129 ETOT(band)= -1.566836 trlgG= -2.237154 logG= -0.661588 TDE= -4.400990 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038726 tlogG= -0.627174 logG= -0.665899 Density= 3.416372 ETOT(band)= -1.570780 trlgG= -2.245516 logG= -0.665899 TDE= -4.404414 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039023 tlogG= -0.614286 logG= -0.653308 Density= 3.418836 ETOT(band)= -1.559064 trlgG= -2.221229 logG= -0.653308 TDE= -4.394755 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038748 tlogG= -0.620788 logG= -0.659536 Density= 3.417041 ETOT(band)= -1.565728 trlgG= -2.232144 logG= -0.659536 TDE= -4.397959 logGD-logG0= -0.039043 tlogG= -0.617226 logG= -0.656269 Density= 3.418746 ETOT(band)= -1.561241 trlgG= -2.226448 logG= -0.656269 TDE= -4.396939 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038951 tlogG= -0.620367 logG= -0.659319 Density= 3.418553 ETOT(band)= -1.563988 trlgG= -2.230030 logG= -0.659319 TDE= -4.397313 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038889 tlogG= -0.617921 logG= -0.656810 Density= 3.417799 ETOT(band)= -1.562791 trlgG= -2.227550 logG= -0.656810 TDE= -4.396718 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039113 tlogG= -0.614125 logG= -0.653238 Density= 3.419473 ETOT(band)= -1.558396 trlgG= -2.220589 logG= -0.653238 TDE= -4.394713 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038901 tlogG= -0.620162 logG= -0.659063 Density= 3.418019 ETOT(band)= -1.564141 trlgG= -2.230328 logG= -0.659063 TDE= -4.397425 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038798 tlogG= -0.624920 logG= -0.663718 Density= 3.416637 ETOT(band)= -1.568907 trlgG= -2.241854 logG= -0.663718 TDE= -4.403154 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039256 tlogG= -0.612939 logG= -0.652196 Density= 3.419930 ETOT(band)= -1.556878 trlgG= -2.220387 logG= -0.652196 TDE= -4.395931 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038719 tlogG= -0.625419 logG= -0.664138 Density= 3.416450 ETOT(band)= -1.569521 trlgG= -2.242012 logG= -0.664138 TDE= -4.402737 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038726 tlogG= -0.622784 logG= -0.661510 Density= 3.416713 ETOT(band)= -1.567446 trlgG= -2.236417 logG= -0.661510 TDE= -4.399987 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038723 tlogG= -0.621031 logG= -0.659753 Density= 3.417193 ETOT(band)= -1.565840 trlgG= -2.232323 logG= -0.659753 TDE= -4.398047 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.039199 tlogG= -0.613084 logG= -0.652283 Density= 3.419427 ETOT(band)= -1.557457 trlgG= -2.220885 logG= -0.652283 TDE= -4.395927 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038781 tlogG= -0.620533 logG= -0.659315 Density= 3.416899 ETOT(band)= -1.565599 trlgG= -2.232109 logG= -0.659315 TDE= -4.398028 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038861 tlogG= -0.622159 logG= -0.661019 Density= 3.417496 ETOT(band)= -1.566084 trlgG= -2.235337 logG= -0.661019 TDE= -4.400045 logGD-logG0= -0.038843 tlogG= -0.620164 logG= -0.659007 Density= 3.417434 ETOT(band)= -1.564782 trlgG= -2.231476 logG= -0.659007 TDE= -4.398145 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038829 tlogG= -0.624817 logG= -0.663646 Density= 3.416948 ETOT(band)= -1.568500 trlgG= -2.241391 logG= -0.663646 TDE= -4.403020 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038641 tlogG= -0.625880 logG= -0.664522 Density= 3.416280 ETOT(band)= -1.570078 trlgG= -2.241600 logG= -0.664522 TDE= -4.401801 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039042 tlogG= -0.617951 logG= -0.656994 Density= 3.419198 ETOT(band)= -1.561676 trlgG= -2.225945 logG= -0.656994 TDE= -4.396086 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039176 tlogG= -0.611297 logG= -0.650474 Density= 3.419795 ETOT(band)= -1.555848 trlgG= -2.216406 logG= -0.650474 TDE= -4.393561 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038897 tlogG= -0.619724 logG= -0.658621 Density= 3.417480 ETOT(band)= -1.564322 trlgG= -2.231074 logG= -0.658621 TDE= -4.398167 logGD-logG0= -0.039010 tlogG= -0.620563 logG= -0.659573 Density= 3.419141 ETOT(band)= -1.563793 trlgG= -2.229720 logG= -0.659573 TDE= -4.397235 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039183 tlogG= -0.613540 logG= -0.652723 Density= 3.419691 ETOT(band)= -1.557653 trlgG= -2.220830 logG= -0.652723 TDE= -4.395649 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038676 tlogG= -0.623106 logG= -0.661782 Density= 3.416715 ETOT(band)= -1.567738 trlgG= -2.236328 logG= -0.661782 TDE= -4.399627 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039040 tlogG= -0.617597 logG= -0.656638 Density= 3.418960 ETOT(band)= -1.561477 trlgG= -2.226356 logG= -0.656638 TDE= -4.396656 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038796 tlogG= -0.623194 logG= -0.661991 Density= 3.417050 ETOT(band)= -1.567334 trlgG= -2.237247 logG= -0.661991 TDE= -4.400615 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 Sum of eigenvalues= -1021.41754555689 eV TrLogG= -1457.76000279346 eV Ratio to renormalize= 0.999627683673 rho-rho_expected= 0.061082619761 nargs= 1 argi=dmft2.def 15) Finished k-point number 16 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 36) Finished k-point number 37 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 11) Finished k-point number 12 1 with #bands= 107 23) Finished k-point number 24 1 with #bands= 107 45) Finished k-point number 46 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800879442752036 0.802711841728185 0.802583209377578 0.800452194710540 0.803240945336820 0.802546087807497 0.801173751648163 0.802575423262783 0.802687077523502 0.801085648829575 0.802776655507456 0.802589120339610 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038917 tlogG= -0.622282 logG= -0.661199 Density= 3.417684 ETOT(band)= -1.566692 trlgG= -2.236128 logG= -0.661199 TDE= -4.400812 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038689 tlogG= -0.627854 logG= -0.666543 Density= 3.416290 ETOT(band)= -1.572120 trlgG= -2.245886 logG= -0.666543 TDE= -4.404073 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.038836 tlogG= -0.622538 logG= -0.661374 Density= 3.416911 ETOT(band)= -1.567701 trlgG= -2.237297 logG= -0.661374 TDE= -4.401166 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038879 tlogG= -0.626703 logG= -0.665582 Density= 3.416863 ETOT(band)= -1.570592 trlgG= -2.245943 logG= -0.665582 TDE= -4.405566 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038939 tlogG= -0.622891 logG= -0.661829 Density= 3.418268 ETOT(band)= -1.566896 trlgG= -2.235317 logG= -0.661829 TDE= -4.399854 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=120 logGD-logG0= -0.038891 tlogG= -0.618421 logG= -0.657312 Density= 3.417975 ETOT(band)= -1.563769 trlgG= -2.228171 logG= -0.657312 TDE= -4.396982 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039149 tlogG= -0.615928 logG= -0.655077 Density= 3.418991 ETOT(band)= -1.560711 trlgG= -2.225753 logG= -0.655077 TDE= -4.397640 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038925 tlogG= -0.622608 logG= -0.661533 Density= 3.417957 ETOT(band)= -1.566831 trlgG= -2.235821 logG= -0.661533 TDE= -4.400396 logGD-logG0= -0.039167 tlogG= -0.613817 logG= -0.652984 Density= 3.419332 ETOT(band)= -1.558873 trlgG= -2.222246 logG= -0.652984 TDE= -4.396507 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038783 tlogG= -0.625859 logG= -0.664643 Density= 3.417016 ETOT(band)= -1.570091 trlgG= -2.241684 logG= -0.664643 TDE= -4.402372 logGD-logG0= -0.038987 tlogG= -0.620101 logG= -0.659088 Density= 3.418276 ETOT(band)= -1.564639 trlgG= -2.231405 logG= -0.659088 TDE= -4.398690 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039100 tlogG= -0.617347 logG= -0.656447 Density= 3.418939 ETOT(band)= -1.561844 trlgG= -2.227268 logG= -0.656447 TDE= -4.397742 logGD-logG0= -0.038967 tlogG= -0.620478 logG= -0.659445 Density= 3.418402 ETOT(band)= -1.564926 trlgG= -2.231294 logG= -0.659445 TDE= -4.398325 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038846 tlogG= -0.620685 logG= -0.659531 Density= 3.417589 ETOT(band)= -1.565792 trlgG= -2.232270 logG= -0.659531 TDE= -4.398544 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039086 tlogG= -0.616445 logG= -0.655531 Density= 3.418840 ETOT(band)= -1.561328 trlgG= -2.226069 logG= -0.655531 TDE= -4.397377 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038801 tlogG= -0.623758 logG= -0.662559 Density= 3.417198 ETOT(band)= -1.568398 trlgG= -2.237983 logG= -0.662559 TDE= -4.400906 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038781 tlogG= -0.627298 logG= -0.666079 Density= 3.416558 ETOT(band)= -1.571389 trlgG= -2.246309 logG= -0.666079 TDE= -4.405182 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039241 tlogG= -0.613659 logG= -0.652900 Density= 3.419890 ETOT(band)= -1.558251 trlgG= -2.221671 logG= -0.652900 TDE= -4.396479 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038953 tlogG= -0.619844 logG= -0.658797 Density= 3.417673 ETOT(band)= -1.564925 trlgG= -2.231851 logG= -0.658797 TDE= -4.398928 logGD-logG0= -0.039080 tlogG= -0.614405 logG= -0.653484 Density= 3.419033 ETOT(band)= -1.559663 trlgG= -2.222054 logG= -0.653484 TDE= -4.395568 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038906 tlogG= -0.622860 logG= -0.661766 Density= 3.417318 ETOT(band)= -1.567442 trlgG= -2.237942 logG= -0.661766 TDE= -4.401757 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038778 tlogG= -0.621155 logG= -0.659933 Density= 3.417378 ETOT(band)= -1.566451 trlgG= -2.233079 logG= -0.659933 TDE= -4.398776 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=121 logGD-logG0= -0.038837 tlogG= -0.620654 logG= -0.659491 Density= 3.417087 ETOT(band)= -1.566205 trlgG= -2.232876 logG= -0.659491 TDE= -4.398774 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038697 tlogG= -0.626005 logG= -0.664702 Density= 3.416465 ETOT(band)= -1.570689 trlgG= -2.242377 logG= -0.664702 TDE= -4.402550 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038854 tlogG= -0.625042 logG= -0.663896 Density= 3.416825 ETOT(band)= -1.569514 trlgG= -2.242645 logG= -0.663896 TDE= -4.403922 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039234 tlogG= -0.611414 logG= -0.650648 Density= 3.420000 ETOT(band)= -1.556441 trlgG= -2.217237 logG= -0.650648 TDE= -4.394387 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038885 tlogG= -0.624939 logG= -0.663825 Density= 3.417136 ETOT(band)= -1.569107 trlgG= -2.242182 logG= -0.663825 TDE= -4.403788 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039007 tlogG= -0.620493 logG= -0.659500 Density= 3.418739 ETOT(band)= -1.564600 trlgG= -2.230805 logG= -0.659500 TDE= -4.398060 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039028 tlogG= -0.616958 logG= -0.655985 Density= 3.418721 ETOT(band)= -1.561921 trlgG= -2.225947 logG= -0.655985 TDE= -4.396702 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038899 tlogG= -0.620286 logG= -0.659185 Density= 3.417624 ETOT(band)= -1.565388 trlgG= -2.232253 logG= -0.659185 TDE= -4.398901 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039314 tlogG= -0.613057 logG= -0.652371 Density= 3.420132 ETOT(band)= -1.557473 trlgG= -2.221224 logG= -0.652371 TDE= -4.396760 logGD-logG0= -0.039097 tlogG= -0.617720 logG= -0.656817 Density= 3.419151 ETOT(band)= -1.562084 trlgG= -2.227177 logG= -0.656817 TDE= -4.397456 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038957 tlogG= -0.620286 logG= -0.659243 Density= 3.418207 ETOT(band)= -1.564750 trlgG= -2.231108 logG= -0.659243 TDE= -4.398181 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039098 tlogG= -0.618076 logG= -0.657174 Density= 3.419386 ETOT(band)= -1.562286 trlgG= -2.226754 logG= -0.657174 TDE= -4.396870 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038996 tlogG= -0.617634 logG= -0.656630 Density= 3.418010 ETOT(band)= -1.562991 trlgG= -2.228254 logG= -0.656630 TDE= -4.397777 logGD-logG0= -0.038831 tlogG= -0.625413 logG= -0.664244 Density= 3.417061 ETOT(band)= -1.569626 trlgG= -2.242234 logG= -0.664244 TDE= -4.403358 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038732 tlogG= -0.623231 logG= -0.661963 Density= 3.416900 ETOT(band)= -1.568350 trlgG= -2.237089 logG= -0.661963 TDE= -4.400360 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039256 tlogG= -0.613200 logG= -0.652457 Density= 3.419630 ETOT(band)= -1.558051 trlgG= -2.221721 logG= -0.652457 TDE= -4.396756 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038945 tlogG= -0.618042 logG= -0.656987 Density= 3.417990 ETOT(band)= -1.563396 trlgG= -2.228372 logG= -0.656987 TDE= -4.397521 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038852 tlogG= -0.623317 logG= -0.662170 Density= 3.417237 ETOT(band)= -1.567943 trlgG= -2.238034 logG= -0.662170 TDE= -4.401378 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039170 tlogG= -0.614245 logG= -0.653415 Density= 3.419671 ETOT(band)= -1.558996 trlgG= -2.221419 logG= -0.653415 TDE= -4.395530 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039478 tlogG= -0.609903 logG= -0.649381 Density= 3.421093 ETOT(band)= -1.554167 trlgG= -2.216296 logG= -0.649381 TDE= -4.395616 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038804 tlogG= -0.620910 logG= -0.659714 Density= 3.417227 ETOT(band)= -1.566337 trlgG= -2.232913 logG= -0.659714 TDE= -4.398704 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038774 tlogG= -0.625543 logG= -0.664317 Density= 3.416636 ETOT(band)= -1.570131 trlgG= -2.242806 logG= -0.664317 TDE= -4.403505 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.039006 tlogG= -0.619684 logG= -0.658690 Density= 3.418183 ETOT(band)= -1.564287 trlgG= -2.231192 logG= -0.658690 TDE= -4.398799 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039356 tlogG= -0.610696 logG= -0.650052 Density= 3.420534 ETOT(band)= -1.555354 trlgG= -2.217228 logG= -0.650052 TDE= -4.395415 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038781 tlogG= -0.622908 logG= -0.661689 Density= 3.416899 ETOT(band)= -1.568056 trlgG= -2.237204 logG= -0.661689 TDE= -4.400749 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039065 tlogG= -0.620690 logG= -0.659756 Density= 3.419323 ETOT(band)= -1.564409 trlgG= -2.230486 logG= -0.659756 TDE= -4.397968 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 Sum of eigenvalues= -1021.81300418471 eV TrLogG= -1458.38532487254 eV Ratio to renormalize= 0.999571829008 rho-rho_expected= 0.070250121802 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 34) Finished k-point number 35 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 23) Finished k-point number 24 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 0) Finished k-point number 1 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800737129751987 0.802571259147125 0.802439113481890 0.800309582601551 0.803103499523725 0.802399758958719 0.801032280628013 0.802434150512991 0.802543093140845 0.800944637508349 0.802634841866335 0.802445616858629 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038953 tlogG= -0.618361 logG= -0.657314 Density= 3.417833 ETOT(band)= -1.563497 trlgG= -2.227906 logG= -0.657314 TDE= -4.396599 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039372 tlogG= -0.613000 logG= -0.652372 Density= 3.419957 ETOT(band)= -1.557225 trlgG= -2.220963 logG= -0.652372 TDE= -4.396353 logGD-logG0= -0.038897 tlogG= -0.622480 logG= -0.661377 Density= 3.416774 ETOT(band)= -1.567427 trlgG= -2.237034 logG= -0.661377 TDE= -4.400788 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038840 tlogG= -0.621095 logG= -0.659935 Density= 3.417245 ETOT(band)= -1.566173 trlgG= -2.232836 logG= -0.659935 TDE= -4.398421 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038915 tlogG= -0.624984 logG= -0.663899 Density= 3.416688 ETOT(band)= -1.569239 trlgG= -2.242382 logG= -0.663899 TDE= -4.403543 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039070 tlogG= -0.620432 logG= -0.659502 Density= 3.418599 ETOT(band)= -1.564328 trlgG= -2.230556 logG= -0.659502 TDE= -4.397694 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038864 tlogG= -0.623698 logG= -0.662562 Density= 3.417068 ETOT(band)= -1.568119 trlgG= -2.237729 logG= -0.662562 TDE= -4.400540 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039089 tlogG= -0.616899 logG= -0.655988 Density= 3.418572 ETOT(band)= -1.561654 trlgG= -2.225679 logG= -0.655988 TDE= -4.396309 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039030 tlogG= -0.620418 logG= -0.659447 Density= 3.418263 ETOT(band)= -1.564653 trlgG= -2.231037 logG= -0.659447 TDE= -4.397951 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039002 tlogG= -0.622830 logG= -0.661832 Density= 3.418135 ETOT(band)= -1.566619 trlgG= -2.235066 logG= -0.661832 TDE= -4.399491 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038846 tlogG= -0.625799 logG= -0.664646 Density= 3.416889 ETOT(band)= -1.569810 trlgG= -2.241424 logG= -0.664646 TDE= -4.402003 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038843 tlogG= -0.627239 logG= -0.666083 Density= 3.416428 ETOT(band)= -1.571109 trlgG= -2.246042 logG= -0.666083 TDE= -4.404804 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039013 tlogG= -0.619787 logG= -0.658799 Density= 3.417525 ETOT(band)= -1.564657 trlgG= -2.231601 logG= -0.658799 TDE= -4.398554 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038988 tlogG= -0.622548 logG= -0.661536 Density= 3.417821 ETOT(band)= -1.566555 trlgG= -2.235558 logG= -0.661536 TDE= -4.400019 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039140 tlogG= -0.614347 logG= -0.653486 Density= 3.418877 ETOT(band)= -1.559401 trlgG= -2.221786 logG= -0.653486 TDE= -4.395170 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038940 tlogG= -0.626646 logG= -0.665585 Density= 3.416727 ETOT(band)= -1.570316 trlgG= -2.245681 logG= -0.665585 TDE= -4.405188 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038898 tlogG= -0.620596 logG= -0.659494 Density= 3.416948 ETOT(band)= -1.565931 trlgG= -2.232627 logG= -0.659494 TDE= -4.398408 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038908 tlogG= -0.620626 logG= -0.659533 Density= 3.417453 ETOT(band)= -1.565517 trlgG= -2.232017 logG= -0.659533 TDE= -4.398175 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.039146 tlogG= -0.616387 logG= -0.655533 Density= 3.418684 ETOT(band)= -1.561066 trlgG= -2.225793 logG= -0.655533 TDE= -4.396970 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038893 tlogG= -0.625354 logG= -0.664247 Density= 3.416929 ETOT(band)= -1.569347 trlgG= -2.241968 logG= -0.664247 TDE= -4.402980 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039231 tlogG= -0.614186 logG= -0.653417 Density= 3.419512 ETOT(band)= -1.558737 trlgG= -2.221151 logG= -0.653417 TDE= -4.395129 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039226 tlogG= -0.613760 logG= -0.652986 Density= 3.419168 ETOT(band)= -1.558617 trlgG= -2.221975 logG= -0.652986 TDE= -4.396099 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038752 tlogG= -0.627795 logG= -0.666547 Density= 3.416166 ETOT(band)= -1.571836 trlgG= -2.245616 logG= -0.666547 TDE= -4.403697 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.039049 tlogG= -0.620041 logG= -0.659090 Density= 3.418133 ETOT(band)= -1.564369 trlgG= -2.231147 logG= -0.659090 TDE= -4.398311 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038967 tlogG= -0.622802 logG= -0.661769 Density= 3.417177 ETOT(band)= -1.567170 trlgG= -2.237684 logG= -0.661769 TDE= -4.401379 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038794 tlogG= -0.623171 logG= -0.661965 Density= 3.416770 ETOT(band)= -1.568069 trlgG= -2.236841 logG= -0.661965 TDE= -4.400004 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039019 tlogG= -0.620226 logG= -0.659245 Density= 3.418064 ETOT(band)= -1.564479 trlgG= -2.230856 logG= -0.659245 TDE= -4.397809 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039160 tlogG= -0.617289 logG= -0.656449 Density= 3.418783 ETOT(band)= -1.561582 trlgG= -2.227003 logG= -0.656449 TDE= -4.397346 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.039300 tlogG= -0.613601 logG= -0.652901 Density= 3.419724 ETOT(band)= -1.557997 trlgG= -2.221402 logG= -0.652901 TDE= -4.396071 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039534 tlogG= -0.609848 logG= -0.649382 Density= 3.420902 ETOT(band)= -1.553929 trlgG= -2.216047 logG= -0.649382 TDE= -4.395209 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038865 tlogG= -0.620851 logG= -0.659716 Density= 3.417091 ETOT(band)= -1.566061 trlgG= -2.232662 logG= -0.659716 TDE= -4.398338 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038960 tlogG= -0.620227 logG= -0.659187 Density= 3.417482 ETOT(band)= -1.565116 trlgG= -2.232001 logG= -0.659187 TDE= -4.398530 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038836 tlogG= -0.625484 logG= -0.664320 Density= 3.416505 ETOT(band)= -1.569851 trlgG= -2.242539 logG= -0.664320 TDE= -4.403126 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039066 tlogG= -0.619626 logG= -0.658692 Density= 3.418034 ETOT(band)= -1.564021 trlgG= -2.230933 logG= -0.658692 TDE= -4.398413 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039293 tlogG= -0.611357 logG= -0.650650 Density= 3.419832 ETOT(band)= -1.556188 trlgG= -2.216972 logG= -0.650650 TDE= -4.393981 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038947 tlogG= -0.624881 logG= -0.663828 Density= 3.416999 ETOT(band)= -1.568832 trlgG= -2.241921 logG= -0.663828 TDE= -4.403409 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039006 tlogG= -0.617983 logG= -0.656989 Density= 3.417844 ETOT(band)= -1.563127 trlgG= -2.228099 logG= -0.656989 TDE= -4.397125 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038759 tlogG= -0.625946 logG= -0.664705 Density= 3.416339 ETOT(band)= -1.570406 trlgG= -2.242118 logG= -0.664705 TDE= -4.402184 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038914 tlogG= -0.623259 logG= -0.662173 Density= 3.417102 ETOT(band)= -1.567666 trlgG= -2.237773 logG= -0.662173 TDE= -4.401002 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039208 tlogG= -0.615871 logG= -0.655078 Density= 3.418828 ETOT(band)= -1.560454 trlgG= -2.225483 logG= -0.655078 TDE= -4.397233 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039314 tlogG= -0.613144 logG= -0.652458 Density= 3.419456 ETOT(band)= -1.557801 trlgG= -2.221458 logG= -0.652458 TDE= -4.396348 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038843 tlogG= -0.622849 logG= -0.661691 Density= 3.416766 ETOT(band)= -1.567778 trlgG= -2.236941 logG= -0.661691 TDE= -4.400373 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039161 tlogG= -0.618015 logG= -0.657176 Density= 3.419240 ETOT(band)= -1.562018 trlgG= -2.226494 logG= -0.657176 TDE= -4.396487 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039158 tlogG= -0.617661 logG= -0.656819 Density= 3.419000 ETOT(band)= -1.561819 trlgG= -2.226910 logG= -0.656819 TDE= -4.397062 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039129 tlogG= -0.620629 logG= -0.659758 Density= 3.419185 ETOT(band)= -1.564136 trlgG= -2.230245 logG= -0.659758 TDE= -4.397611 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038978 tlogG= -0.622223 logG= -0.661201 Density= 3.417544 ETOT(band)= -1.566419 trlgG= -2.235867 logG= -0.661201 TDE= -4.400434 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039056 tlogG= -0.617577 logG= -0.656632 Density= 3.417858 ETOT(band)= -1.562727 trlgG= -2.227984 logG= -0.656632 TDE= -4.397379 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039414 tlogG= -0.610639 logG= -0.650053 Density= 3.420355 ETOT(band)= -1.555109 trlgG= -2.216969 logG= -0.650053 TDE= -4.395007 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1021.63727019183 eV TrLogG= -1458.13689145961 eV Ratio to renormalize= 0.999614327128 rho-rho_expected= 0.063274754411 nargs= 1 argi=dmft2.def 10) Finished k-point number 11 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 41) Finished k-point number 42 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 16) Finished k-point number 17 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 17) Finished k-point number 18 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800717247564228 0.802546983395047 0.802398789051861 0.800289754667200 0.803078864770345 0.802359816836884 0.801012630412115 0.802409702707949 0.802502782727184 0.800925369761705 0.802609775437376 0.802405641649111 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039025 tlogG= -0.620401 logG= -0.659426 Density= 3.418247 ETOT(band)= -1.564578 trlgG= -2.230940 logG= -0.659426 TDE= -4.397863 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038894 tlogG= -0.620579 logG= -0.659472 Density= 3.416932 ETOT(band)= -1.565857 trlgG= -2.232532 logG= -0.659472 TDE= -4.398321 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039409 tlogG= -0.610622 logG= -0.650032 Density= 3.420338 ETOT(band)= -1.555035 trlgG= -2.216867 logG= -0.650032 TDE= -4.394913 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038984 tlogG= -0.622531 logG= -0.661514 Density= 3.417805 ETOT(band)= -1.566480 trlgG= -2.235461 logG= -0.661514 TDE= -4.399930 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038836 tlogG= -0.621077 logG= -0.659913 Density= 3.417229 ETOT(band)= -1.566098 trlgG= -2.232742 logG= -0.659913 TDE= -4.398336 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038747 tlogG= -0.627778 logG= -0.666525 Density= 3.416150 ETOT(band)= -1.571762 trlgG= -2.245520 logG= -0.666525 TDE= -4.403609 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039084 tlogG= -0.616882 logG= -0.655966 Density= 3.418556 ETOT(band)= -1.561580 trlgG= -2.225579 logG= -0.655966 TDE= -4.396217 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039141 tlogG= -0.616370 logG= -0.655511 Density= 3.418668 ETOT(band)= -1.560992 trlgG= -2.225691 logG= -0.655511 TDE= -4.396876 logGD-logG0= -0.038831 tlogG= -0.625467 logG= -0.664299 Density= 3.416489 ETOT(band)= -1.569777 trlgG= -2.242442 logG= -0.664299 TDE= -4.403037 logGD-logG0= -0.038839 tlogG= -0.627223 logG= -0.666061 Density= 3.416412 ETOT(band)= -1.571035 trlgG= -2.245945 logG= -0.666061 TDE= -4.404715 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039135 tlogG= -0.614330 logG= -0.653465 Density= 3.418861 ETOT(band)= -1.559327 trlgG= -2.221685 logG= -0.653465 TDE= -4.395077 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038842 tlogG= -0.625782 logG= -0.664624 Density= 3.416873 ETOT(band)= -1.569735 trlgG= -2.241328 logG= -0.664624 TDE= -4.401916 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038755 tlogG= -0.625929 logG= -0.664684 Density= 3.416323 ETOT(band)= -1.570332 trlgG= -2.242023 logG= -0.664684 TDE= -4.402097 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039203 tlogG= -0.615854 logG= -0.655057 Density= 3.418811 ETOT(band)= -1.560381 trlgG= -2.225381 logG= -0.655057 TDE= -4.397139 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038910 tlogG= -0.624968 logG= -0.663877 Density= 3.416672 ETOT(band)= -1.569165 trlgG= -2.242286 logG= -0.663877 TDE= -4.403454 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038859 tlogG= -0.623681 logG= -0.662540 Density= 3.417052 ETOT(band)= -1.568044 trlgG= -2.237633 logG= -0.662540 TDE= -4.400453 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038910 tlogG= -0.623242 logG= -0.662151 Density= 3.417086 ETOT(band)= -1.567592 trlgG= -2.237677 logG= -0.662151 TDE= -4.400914 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038935 tlogG= -0.626629 logG= -0.665564 Density= 3.416710 ETOT(band)= -1.570243 trlgG= -2.245585 logG= -0.665564 TDE= -4.405099 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038903 tlogG= -0.620609 logG= -0.659512 Density= 3.417437 ETOT(band)= -1.565442 trlgG= -2.231920 logG= -0.659512 TDE= -4.398087 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.039367 tlogG= -0.612983 logG= -0.652350 Density= 3.419940 ETOT(band)= -1.557151 trlgG= -2.220861 logG= -0.652350 TDE= -4.396259 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038962 tlogG= -0.622785 logG= -0.661748 Density= 3.417161 ETOT(band)= -1.567096 trlgG= -2.237587 logG= -0.661748 TDE= -4.401290 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039001 tlogG= -0.617966 logG= -0.656967 Density= 3.417828 ETOT(band)= -1.563053 trlgG= -2.227998 logG= -0.656967 TDE= -4.397033 logGD-logG0= -0.039044 tlogG= -0.620024 logG= -0.659069 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 Density= 3.418117 ETOT(band)= -1.564295 trlgG= -2.231050 logG= -0.659069 TDE= -4.398222 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038893 tlogG= -0.622463 logG= -0.661356 Density= 3.416757 ETOT(band)= -1.567353 trlgG= -2.236938 logG= -0.661356 TDE= -4.400699 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038889 tlogG= -0.625337 logG= -0.664226 Density= 3.416913 ETOT(band)= -1.569273 trlgG= -2.241871 logG= -0.664226 TDE= -4.402891 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039222 tlogG= -0.613743 logG= -0.652964 Density= 3.419152 ETOT(band)= -1.558543 trlgG= -2.221873 logG= -0.652964 TDE= -4.396005 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039066 tlogG= -0.620415 logG= -0.659480 Density= 3.418583 ETOT(band)= -1.564253 trlgG= -2.230461 logG= -0.659480 TDE= -4.397607 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038956 tlogG= -0.620210 logG= -0.659166 Density= 3.417466 ETOT(band)= -1.565042 trlgG= -2.231905 logG= -0.659166 TDE= -4.398442 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039125 tlogG= -0.620611 logG= -0.659736 Density= 3.419170 ETOT(band)= -1.564060 trlgG= -2.230150 logG= -0.659736 TDE= -4.397526 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038838 tlogG= -0.622832 logG= -0.661670 Density= 3.416750 ETOT(band)= -1.567703 trlgG= -2.236844 logG= -0.661670 TDE= -4.400285 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039529 tlogG= -0.609831 logG= -0.649360 Density= 3.420884 ETOT(band)= -1.553855 trlgG= -2.215946 logG= -0.649360 TDE= -4.395115 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038948 tlogG= -0.618344 logG= -0.657292 Density= 3.417817 ETOT(band)= -1.563422 trlgG= -2.227808 logG= -0.657292 TDE= -4.396509 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038998 tlogG= -0.622812 logG= -0.661810 Density= 3.418120 ETOT(band)= -1.566544 trlgG= -2.234971 logG= -0.661810 TDE= -4.399404 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.039154 tlogG= -0.617644 logG= -0.656797 Density= 3.418984 ETOT(band)= -1.561744 trlgG= -2.226809 logG= -0.656797 TDE= -4.396970 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039288 tlogG= -0.611340 logG= -0.650628 Density= 3.419815 ETOT(band)= -1.556113 trlgG= -2.216870 logG= -0.650628 TDE= -4.393887 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039295 tlogG= -0.613584 logG= -0.652880 Density= 3.419707 ETOT(band)= -1.557923 trlgG= -2.221300 logG= -0.652880 TDE= -4.395977 logGD-logG0= -0.039014 tlogG= -0.620209 logG= -0.659223 Density= 3.418048 ETOT(band)= -1.564405 trlgG= -2.230759 logG= -0.659223 TDE= -4.397720 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039008 tlogG= -0.619770 logG= -0.658778 Density= 3.417509 ETOT(band)= -1.564583 trlgG= -2.231505 logG= -0.658778 TDE= -4.398465 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038942 tlogG= -0.624865 logG= -0.663806 Density= 3.416982 ETOT(band)= -1.568758 trlgG= -2.241824 logG= -0.663806 TDE= -4.403320 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039156 tlogG= -0.617998 logG= -0.657154 Density= 3.419225 ETOT(band)= -1.561942 trlgG= -2.226395 logG= -0.657154 TDE= -4.396398 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038789 tlogG= -0.623154 logG= -0.661943 Density= 3.416754 ETOT(band)= -1.567994 trlgG= -2.236747 logG= -0.661943 TDE= -4.399918 logGD-logG0= -0.038974 tlogG= -0.622206 logG= -0.661180 Density= 3.417528 ETOT(band)= -1.566345 trlgG= -2.235770 logG= -0.661180 TDE= -4.400345 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039156 tlogG= -0.617272 logG= -0.656428 Density= 3.418767 ETOT(band)= -1.561508 trlgG= -2.226903 logG= -0.656428 TDE= -4.397254 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039051 tlogG= -0.617560 logG= -0.656611 Density= 3.417842 ETOT(band)= -1.562653 trlgG= -2.227883 logG= -0.656611 TDE= -4.397286 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039309 tlogG= -0.613127 logG= -0.652436 Density= 3.419439 ETOT(band)= -1.557727 trlgG= -2.221356 logG= -0.652436 TDE= -4.396254 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039062 tlogG= -0.619609 logG= -0.658670 Density= 3.418018 ETOT(band)= -1.563947 trlgG= -2.230835 logG= -0.658670 TDE= -4.398323 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038861 tlogG= -0.620834 logG= -0.659694 Density= 3.417075 ETOT(band)= -1.565986 trlgG= -2.232566 logG= -0.659694 TDE= -4.398251 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039226 tlogG= -0.614169 logG= -0.653395 Density= 3.419496 ETOT(band)= -1.558662 trlgG= -2.221050 logG= -0.653395 TDE= -4.395036 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1021.58863409803 eV TrLogG= -1458.06413793538 eV Ratio to renormalize= 0.999619059345 rho-rho_expected= 0.062498075417 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 28) Finished k-point number 29 1 with #bands= 107 43) Finished k-point number 44 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 4) Finished k-point number 5 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 9) Finished k-point number 10 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 12) Finished k-point number 13 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800764614431651 0.802571621204896 0.802382603544518 0.800336031545285 0.803103800635752 0.802344364648495 0.801060006095853 0.802434343613528 0.802486863878993 0.800973328209613 0.802632954521719 0.802390274221534 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038905 tlogG= -0.622495 logG= -0.661399 Density= 3.416791 ETOT(band)= -1.567394 trlgG= -2.237019 logG= -0.661399 TDE= -4.400765 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038947 tlogG= -0.626662 logG= -0.665608 Density= 3.416743 ETOT(band)= -1.570285 trlgG= -2.245668 logG= -0.665608 TDE= -4.405166 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039013 tlogG= -0.617997 logG= -0.657010 Density= 3.417862 ETOT(band)= -1.563093 trlgG= -2.228081 logG= -0.657010 TDE= -4.397102 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039056 tlogG= -0.620056 logG= -0.659112 Density= 3.418151 ETOT(band)= -1.564336 trlgG= -2.231132 logG= -0.659112 TDE= -4.398289 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039421 tlogG= -0.610653 logG= -0.650074 Density= 3.420374 ETOT(band)= -1.555075 trlgG= -2.216951 logG= -0.650074 TDE= -4.394984 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038915 tlogG= -0.620641 logG= -0.659555 Density= 3.417472 ETOT(band)= -1.565483 trlgG= -2.231999 logG= -0.659555 TDE= -4.398152 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039010 tlogG= -0.622845 logG= -0.661855 Density= 3.418155 ETOT(band)= -1.566586 trlgG= -2.235050 logG= -0.661855 TDE= -4.399468 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.038854 tlogG= -0.625815 logG= -0.664669 Density= 3.416907 ETOT(band)= -1.569777 trlgG= -2.241409 logG= -0.664669 TDE= -4.401981 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039234 tlogG= -0.613774 logG= -0.653007 Density= 3.419187 ETOT(band)= -1.558583 trlgG= -2.221958 logG= -0.653007 TDE= -4.396077 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038960 tlogG= -0.618376 logG= -0.657336 Density= 3.417852 ETOT(band)= -1.563462 trlgG= -2.227890 logG= -0.657336 TDE= -4.396577 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039037 tlogG= -0.620433 logG= -0.659470 Density= 3.418282 ETOT(band)= -1.564620 trlgG= -2.231022 logG= -0.659470 TDE= -4.397930 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039020 tlogG= -0.619801 logG= -0.658821 Density= 3.417543 ETOT(band)= -1.564624 trlgG= -2.231584 logG= -0.658821 TDE= -4.398530 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038847 tlogG= -0.621109 logG= -0.659957 Density= 3.417264 ETOT(band)= -1.566139 trlgG= -2.232818 logG= -0.659957 TDE= -4.398397 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039153 tlogG= -0.616401 logG= -0.655554 Density= 3.418703 ETOT(band)= -1.561032 trlgG= -2.225776 logG= -0.655554 TDE= -4.396947 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038974 tlogG= -0.622817 logG= -0.661791 Density= 3.417194 ETOT(band)= -1.567138 trlgG= -2.237669 logG= -0.661791 TDE= -4.401356 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038905 tlogG= -0.620610 logG= -0.659515 Density= 3.416966 ETOT(band)= -1.565898 trlgG= -2.232610 logG= -0.659515 TDE= -4.398385 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038871 tlogG= -0.623713 logG= -0.662584 Density= 3.417086 ETOT(band)= -1.568086 trlgG= -2.237713 logG= -0.662584 TDE= -4.400517 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038922 tlogG= -0.625000 logG= -0.663921 Density= 3.416705 ETOT(band)= -1.569207 trlgG= -2.242368 logG= -0.663921 TDE= -4.403521 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038759 tlogG= -0.627811 logG= -0.666570 Density= 3.416184 ETOT(band)= -1.571804 trlgG= -2.245602 logG= -0.666570 TDE= -4.403676 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039077 tlogG= -0.620447 logG= -0.659524 Density= 3.418617 ETOT(band)= -1.564295 trlgG= -2.230540 logG= -0.659524 TDE= -4.397671 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039026 tlogG= -0.620241 logG= -0.659267 Density= 3.418082 ETOT(band)= -1.564446 trlgG= -2.230838 logG= -0.659267 TDE= -4.397783 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039096 tlogG= -0.616913 logG= -0.656009 Density= 3.418592 ETOT(band)= -1.561620 trlgG= -2.225662 logG= -0.656009 TDE= -4.396286 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038995 tlogG= -0.622563 logG= -0.661558 Density= 3.417839 ETOT(band)= -1.566523 trlgG= -2.235544 logG= -0.661558 TDE= -4.399997 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039379 tlogG= -0.613014 logG= -0.652393 Density= 3.419974 ETOT(band)= -1.557192 trlgG= -2.220946 logG= -0.652393 TDE= -4.396330 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038968 tlogG= -0.620241 logG= -0.659209 Density= 3.417500 ETOT(band)= -1.565083 trlgG= -2.231984 logG= -0.659209 TDE= -4.398506 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038766 tlogG= -0.625961 logG= -0.664728 Density= 3.416358 ETOT(band)= -1.570373 trlgG= -2.242102 logG= -0.664728 TDE= -4.402161 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038873 tlogG= -0.620865 logG= -0.659738 Density= 3.417110 ETOT(band)= -1.566027 trlgG= -2.232644 logG= -0.659738 TDE= -4.398315 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038921 tlogG= -0.623274 logG= -0.662195 Density= 3.417120 ETOT(band)= -1.567634 trlgG= -2.237758 logG= -0.662195 TDE= -4.400980 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039168 tlogG= -0.617303 logG= -0.656471 Density= 3.418801 ETOT(band)= -1.561550 trlgG= -2.226987 logG= -0.656471 TDE= -4.397323 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039137 tlogG= -0.620644 logG= -0.659780 Density= 3.419205 ETOT(band)= -1.564102 trlgG= -2.230228 logG= -0.659780 TDE= -4.397588 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039321 tlogG= -0.613158 logG= -0.652479 Density= 3.419475 ETOT(band)= -1.557768 trlgG= -2.221441 logG= -0.652479 TDE= -4.396325 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038901 tlogG= -0.625370 logG= -0.664270 Density= 3.416947 ETOT(band)= -1.569315 trlgG= -2.241954 logG= -0.664270 TDE= -4.402958 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039147 tlogG= -0.614361 logG= -0.653508 Density= 3.418897 ETOT(band)= -1.559367 trlgG= -2.221767 logG= -0.653508 TDE= -4.395145 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038843 tlogG= -0.625500 logG= -0.664343 Density= 3.416523 ETOT(band)= -1.569819 trlgG= -2.242524 logG= -0.664343 TDE= -4.403104 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039165 tlogG= -0.617675 logG= -0.656841 Density= 3.419019 ETOT(band)= -1.561785 trlgG= -2.226893 logG= -0.656841 TDE= -4.397039 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039541 tlogG= -0.609861 logG= -0.649403 Density= 3.420919 ETOT(band)= -1.553895 trlgG= -2.216030 logG= -0.649403 TDE= -4.395186 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039307 tlogG= -0.613615 logG= -0.652923 Density= 3.419743 ETOT(band)= -1.557963 trlgG= -2.221385 logG= -0.652923 TDE= -4.396048 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038850 tlogG= -0.627255 logG= -0.666106 Density= 3.416446 ETOT(band)= -1.571078 trlgG= -2.246029 logG= -0.666106 TDE= -4.404782 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039215 tlogG= -0.615885 logG= -0.655100 Density= 3.418846 ETOT(band)= -1.560421 trlgG= -2.225466 logG= -0.655100 TDE= -4.397210 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038850 tlogG= -0.622863 logG= -0.661713 Density= 3.416784 ETOT(band)= -1.567745 trlgG= -2.236925 logG= -0.661713 TDE= -4.400350 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039063 tlogG= -0.617591 logG= -0.656654 Density= 3.417876 ETOT(band)= -1.562693 trlgG= -2.227966 logG= -0.656654 TDE= -4.397355 logGD-logG0= -0.038954 tlogG= -0.624897 logG= -0.663851 Density= 3.417016 ETOT(band)= -1.568801 trlgG= -2.241907 logG= -0.663851 TDE= -4.403387 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039300 tlogG= -0.611371 logG= -0.650671 Density= 3.419852 ETOT(band)= -1.556153 trlgG= -2.216953 logG= -0.650671 TDE= -4.393957 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038801 tlogG= -0.623186 logG= -0.661987 Density= 3.416789 ETOT(band)= -1.568036 trlgG= -2.236823 logG= -0.661987 TDE= -4.399980 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038985 tlogG= -0.622238 logG= -0.661223 Density= 3.417562 ETOT(band)= -1.566387 trlgG= -2.235852 logG= -0.661223 TDE= -4.400411 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039073 tlogG= -0.619640 logG= -0.658714 Density= 3.418052 ETOT(band)= -1.563989 trlgG= -2.230917 logG= -0.658714 TDE= -4.398390 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.039168 tlogG= -0.618030 logG= -0.657198 Density= 3.419260 ETOT(band)= -1.561984 trlgG= -2.226479 logG= -0.657198 TDE= -4.396467 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039238 tlogG= -0.614200 logG= -0.653438 Density= 3.419532 ETOT(band)= -1.558702 trlgG= -2.221132 logG= -0.653438 TDE= -4.395105 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Sum of eigenvalues= -1021.61560040934 eV TrLogG= -1458.13624661180 eV Ratio to renormalize= 0.999608926435 rho-rho_expected= 0.064161156319 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 34) Finished k-point number 35 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 107 8) Finished k-point number 9 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 44) Finished k-point number 45 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800745820962202 0.802619678909656 0.802469926473979 0.800317726272805 0.803152177265771 0.802430100007336 0.801040604020983 0.802482642427643 0.802573686799621 0.800952408171055 0.802684014673637 0.802476040456866 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038918 tlogG= -0.624916 logG= -0.663834 Density= 3.416701 ETOT(band)= -1.569212 trlgG= -2.242295 logG= -0.663834 TDE= -4.403532 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039162 tlogG= -0.617594 logG= -0.656755 Density= 3.419014 ETOT(band)= -1.561792 trlgG= -2.226827 logG= -0.656755 TDE= -4.397055 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038901 tlogG= -0.620529 logG= -0.659430 Density= 3.416960 ETOT(band)= -1.565906 trlgG= -2.232539 logG= -0.659430 TDE= -4.398394 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038991 tlogG= -0.622480 logG= -0.661472 Density= 3.417833 ETOT(band)= -1.566529 trlgG= -2.235472 logG= -0.661472 TDE= -4.400007 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038847 tlogG= -0.627171 logG= -0.666017 Density= 3.416441 ETOT(band)= -1.571082 trlgG= -2.245954 logG= -0.666017 TDE= -4.404792 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038956 tlogG= -0.618294 logG= -0.657250 Density= 3.417847 ETOT(band)= -1.563470 trlgG= -2.227822 logG= -0.657250 TDE= -4.396589 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038943 tlogG= -0.626577 logG= -0.665520 Density= 3.416740 ETOT(band)= -1.570289 trlgG= -2.245592 logG= -0.665520 TDE= -4.405176 logGD-logG0= -0.038755 tlogG= -0.627727 logG= -0.666482 Density= 3.416179 ETOT(band)= -1.571809 trlgG= -2.245528 logG= -0.666482 TDE= -4.403685 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038850 tlogG= -0.625731 logG= -0.664581 Density= 3.416901 ETOT(band)= -1.569783 trlgG= -2.241335 logG= -0.664581 TDE= -4.401990 logGD-logG0= -0.038867 tlogG= -0.623630 logG= -0.662497 Density= 3.417080 ETOT(band)= -1.568093 trlgG= -2.237639 logG= -0.662497 TDE= -4.400526 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039304 tlogG= -0.613534 logG= -0.652837 Density= 3.419740 ETOT(band)= -1.557968 trlgG= -2.221322 logG= -0.652837 TDE= -4.396068 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039230 tlogG= -0.613692 logG= -0.652922 Density= 3.419184 ETOT(band)= -1.558589 trlgG= -2.221895 logG= -0.652922 TDE= -4.396096 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038839 tlogG= -0.625416 logG= -0.664255 Density= 3.416518 ETOT(band)= -1.569825 trlgG= -2.242451 logG= -0.664255 TDE= -4.403114 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038901 tlogG= -0.622412 logG= -0.661313 Density= 3.416786 ETOT(band)= -1.567401 trlgG= -2.236948 logG= -0.661313 TDE= -4.400776 logGD-logG0= -0.039318 tlogG= -0.613076 logG= -0.652394 Density= 3.419472 ETOT(band)= -1.557773 trlgG= -2.221377 logG= -0.652394 TDE= -4.396345 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038970 tlogG= -0.622734 logG= -0.661704 Density= 3.417190 ETOT(band)= -1.567143 trlgG= -2.237596 logG= -0.661704 TDE= -4.401367 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038897 tlogG= -0.625286 logG= -0.664183 Density= 3.416942 ETOT(band)= -1.569321 trlgG= -2.241881 logG= -0.664183 TDE= -4.402968 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039092 tlogG= -0.616831 logG= -0.655923 Density= 3.418587 ETOT(band)= -1.561627 trlgG= -2.225597 logG= -0.655923 TDE= -4.396303 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038911 tlogG= -0.620558 logG= -0.659469 Density= 3.417466 ETOT(band)= -1.565491 trlgG= -2.231928 logG= -0.659469 TDE= -4.398162 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038950 tlogG= -0.624813 logG= -0.663763 Density= 3.417012 ETOT(band)= -1.568805 trlgG= -2.241833 logG= -0.663763 TDE= -4.403398 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039073 tlogG= -0.620365 logG= -0.659438 Density= 3.418611 ETOT(band)= -1.564303 trlgG= -2.230468 logG= -0.659438 TDE= -4.397680 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038843 tlogG= -0.621028 logG= -0.659871 Density= 3.417257 ETOT(band)= -1.566147 trlgG= -2.232747 logG= -0.659871 TDE= -4.398406 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038846 tlogG= -0.622781 logG= -0.661627 Density= 3.416778 ETOT(band)= -1.567752 trlgG= -2.236854 logG= -0.661627 TDE= -4.400361 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039149 tlogG= -0.616319 logG= -0.655469 Density= 3.418699 ETOT(band)= -1.561038 trlgG= -2.225713 logG= -0.655469 TDE= -4.396967 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039006 tlogG= -0.622762 logG= -0.661768 Density= 3.418148 ETOT(band)= -1.566593 trlgG= -2.234977 logG= -0.661768 TDE= -4.399476 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039022 tlogG= -0.620159 logG= -0.659181 Density= 3.418077 ETOT(band)= -1.564453 trlgG= -2.230770 logG= -0.659181 TDE= -4.397797 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039418 tlogG= -0.610571 logG= -0.649989 Density= 3.420372 ETOT(band)= -1.555079 trlgG= -2.216887 logG= -0.649989 TDE= -4.395004 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039033 tlogG= -0.620350 logG= -0.659383 Density= 3.418276 ETOT(band)= -1.564627 trlgG= -2.230949 logG= -0.659383 TDE= -4.397939 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039538 tlogG= -0.609779 logG= -0.649317 Density= 3.420920 ETOT(band)= -1.553898 trlgG= -2.215964 logG= -0.649317 TDE= -4.395206 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039211 tlogG= -0.615803 logG= -0.655014 Density= 3.418843 ETOT(band)= -1.560427 trlgG= -2.225403 logG= -0.655014 TDE= -4.397230 logGD-logG0= -0.038917 tlogG= -0.623191 logG= -0.662108 Density= 3.417115 ETOT(band)= -1.567640 trlgG= -2.237685 logG= -0.662108 TDE= -4.400990 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038763 tlogG= -0.625878 logG= -0.664640 Density= 3.416352 ETOT(band)= -1.570380 trlgG= -2.242029 logG= -0.664640 TDE= -4.402170 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039164 tlogG= -0.617222 logG= -0.656385 Density= 3.418798 ETOT(band)= -1.561555 trlgG= -2.226921 logG= -0.656385 TDE= -4.397340 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039052 tlogG= -0.619974 logG= -0.659026 Density= 3.418146 ETOT(band)= -1.564343 trlgG= -2.231061 logG= -0.659026 TDE= -4.398300 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039234 tlogG= -0.614119 logG= -0.653353 Density= 3.419528 ETOT(band)= -1.558709 trlgG= -2.221070 logG= -0.653353 TDE= -4.395125 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039016 tlogG= -0.619719 logG= -0.658735 Density= 3.417539 ETOT(band)= -1.564631 trlgG= -2.231514 logG= -0.658735 TDE= -4.398542 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038982 tlogG= -0.622155 logG= -0.661137 Density= 3.417557 ETOT(band)= -1.566393 trlgG= -2.235781 logG= -0.661137 TDE= -4.400422 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038869 tlogG= -0.620784 logG= -0.659652 Density= 3.417104 ETOT(band)= -1.566036 trlgG= -2.232574 logG= -0.659652 TDE= -4.398324 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039143 tlogG= -0.614279 logG= -0.653422 Density= 3.418893 ETOT(band)= -1.559373 trlgG= -2.221705 logG= -0.653422 TDE= -4.395165 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039297 tlogG= -0.611289 logG= -0.650586 Density= 3.419849 ETOT(band)= -1.556158 trlgG= -2.216890 logG= -0.650586 TDE= -4.393977 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039070 tlogG= -0.619558 logG= -0.658628 Density= 3.418048 ETOT(band)= -1.563994 trlgG= -2.230848 logG= -0.658628 TDE= -4.398404 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039164 tlogG= -0.617948 logG= -0.657112 Density= 3.419254 ETOT(band)= -1.561991 trlgG= -2.226408 logG= -0.657112 TDE= -4.396477 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039375 tlogG= -0.612932 logG= -0.652308 Density= 3.419973 ETOT(band)= -1.557196 trlgG= -2.220882 logG= -0.652308 TDE= -4.396350 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039133 tlogG= -0.620562 logG= -0.659694 Density= 3.419197 ETOT(band)= -1.564111 trlgG= -2.230156 logG= -0.659694 TDE= -4.397595 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038964 tlogG= -0.620159 logG= -0.659123 Density= 3.417495 ETOT(band)= -1.565090 trlgG= -2.231913 logG= -0.659123 TDE= -4.398517 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038797 tlogG= -0.623103 logG= -0.661901 Density= 3.416783 ETOT(band)= -1.568044 trlgG= -2.236751 logG= -0.661901 TDE= -4.399988 logGD-logG0= -0.039059 tlogG= -0.617509 logG= -0.656568 Density= 3.417872 ETOT(band)= -1.562700 trlgG= -2.227903 logG= -0.656568 TDE= -4.397373 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039009 tlogG= -0.617916 logG= -0.656925 Density= 3.417857 ETOT(band)= -1.563101 trlgG= -2.228017 logG= -0.656925 TDE= -4.397119 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 Sum of eigenvalues= -1021.61971843993 eV TrLogG= -1458.08848787447 eV Ratio to renormalize= 0.999610307428 rho-rho_expected= 0.063934496646 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 4) Finished k-point number 5 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 19) Finished k-point number 20 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 22) Finished k-point number 23 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 29) Finished k-point number 30 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800742050562431 0.802615681258644 0.802465505933754 0.800313964722785 0.803148203907392 0.802425703809676 0.801036830734760 0.802478668556129 0.802569275057069 0.800948621960341 0.802680017155013 0.802471639963954 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038866 tlogG= -0.623637 logG= -0.662504 Density= 3.417079 ETOT(band)= -1.568097 trlgG= -2.237650 logG= -0.662504 TDE= -4.400529 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038754 tlogG= -0.627733 logG= -0.666488 Density= 3.416177 ETOT(band)= -1.571813 trlgG= -2.245538 logG= -0.666488 TDE= -4.403687 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039092 tlogG= -0.616838 logG= -0.655930 Density= 3.418585 ETOT(band)= -1.561631 trlgG= -2.225607 logG= -0.655930 TDE= -4.396305 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039317 tlogG= -0.613083 logG= -0.652400 Density= 3.419471 ETOT(band)= -1.557777 trlgG= -2.221388 logG= -0.652400 TDE= -4.396348 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039005 tlogG= -0.622769 logG= -0.661774 Density= 3.418146 ETOT(band)= -1.566597 trlgG= -2.234987 logG= -0.661774 TDE= -4.399478 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038942 tlogG= -0.626584 logG= -0.665526 Density= 3.416739 ETOT(band)= -1.570293 trlgG= -2.245603 logG= -0.665526 TDE= -4.405178 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038843 tlogG= -0.621035 logG= -0.659877 Density= 3.417256 ETOT(band)= -1.566152 trlgG= -2.232758 logG= -0.659877 TDE= -4.398409 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039161 tlogG= -0.617601 logG= -0.656762 Density= 3.419012 ETOT(band)= -1.561796 trlgG= -2.226838 logG= -0.656762 TDE= -4.397057 logGD-logG0= -0.039229 tlogG= -0.613699 logG= -0.652929 Density= 3.419182 ETOT(band)= -1.558593 trlgG= -2.221906 logG= -0.652929 TDE= -4.396099 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038955 tlogG= -0.618301 logG= -0.657257 Density= 3.417845 ETOT(band)= -1.563475 trlgG= -2.227833 logG= -0.657257 TDE= -4.396592 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038949 tlogG= -0.624820 logG= -0.663769 Density= 3.417010 ETOT(band)= -1.568809 trlgG= -2.241843 logG= -0.663769 TDE= -4.403400 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039052 tlogG= -0.619981 logG= -0.659032 Density= 3.418144 ETOT(band)= -1.564347 trlgG= -2.231072 logG= -0.659032 TDE= -4.398303 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039132 tlogG= -0.620569 logG= -0.659701 Density= 3.419195 ETOT(band)= -1.564115 trlgG= -2.230166 logG= -0.659701 TDE= -4.397598 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038991 tlogG= -0.622487 logG= -0.661478 Density= 3.417832 ETOT(band)= -1.566533 trlgG= -2.235482 logG= -0.661478 TDE= -4.400009 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039537 tlogG= -0.609787 logG= -0.649324 Density= 3.420918 ETOT(band)= -1.553903 trlgG= -2.215975 logG= -0.649324 TDE= -4.395208 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039032 tlogG= -0.620357 logG= -0.659390 Density= 3.418274 ETOT(band)= -1.564631 trlgG= -2.230960 logG= -0.659390 TDE= -4.397941 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038849 tlogG= -0.625738 logG= -0.664587 Density= 3.416899 ETOT(band)= -1.569787 trlgG= -2.241345 logG= -0.664587 TDE= -4.401992 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039058 tlogG= -0.617516 logG= -0.656575 Density= 3.417870 ETOT(band)= -1.562704 trlgG= -2.227913 logG= -0.656575 TDE= -4.397375 logGD-logG0= -0.039149 tlogG= -0.616326 logG= -0.655475 Density= 3.418697 ETOT(band)= -1.561042 trlgG= -2.225723 logG= -0.655475 TDE= -4.396969 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038917 tlogG= -0.624923 logG= -0.663840 Density= 3.416700 ETOT(band)= -1.569216 trlgG= -2.242305 logG= -0.663840 TDE= -4.403534 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039296 tlogG= -0.611296 logG= -0.650593 Density= 3.419847 ETOT(band)= -1.556163 trlgG= -2.216901 logG= -0.650593 TDE= -4.393980 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038846 tlogG= -0.627178 logG= -0.666024 Density= 3.416440 ETOT(band)= -1.571086 trlgG= -2.245964 logG= -0.666024 TDE= -4.404794 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038910 tlogG= -0.620565 logG= -0.659476 Density= 3.417464 ETOT(band)= -1.565495 trlgG= -2.231939 logG= -0.659476 TDE= -4.398164 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038901 tlogG= -0.620536 logG= -0.659437 Density= 3.416959 ETOT(band)= -1.565910 trlgG= -2.232550 logG= -0.659437 TDE= -4.398397 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039015 tlogG= -0.619726 logG= -0.658741 Density= 3.417537 ETOT(band)= -1.564635 trlgG= -2.231524 logG= -0.658741 TDE= -4.398545 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039210 tlogG= -0.615810 logG= -0.655021 Density= 3.418841 ETOT(band)= -1.560431 trlgG= -2.225413 logG= -0.655021 TDE= -4.397232 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038970 tlogG= -0.622741 logG= -0.661711 Density= 3.417189 ETOT(band)= -1.567147 trlgG= -2.237606 logG= -0.661711 TDE= -4.401369 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038917 tlogG= -0.623198 logG= -0.662114 Density= 3.417113 ETOT(band)= -1.567644 trlgG= -2.237696 logG= -0.662114 TDE= -4.400992 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039143 tlogG= -0.614286 logG= -0.653429 Density= 3.418891 ETOT(band)= -1.559378 trlgG= -2.221716 logG= -0.653429 TDE= -4.395168 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038868 tlogG= -0.620791 logG= -0.659659 Density= 3.417102 ETOT(band)= -1.566040 trlgG= -2.232584 logG= -0.659659 TDE= -4.398327 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038900 tlogG= -0.622419 logG= -0.661319 Density= 3.416785 ETOT(band)= -1.567405 trlgG= -2.236958 logG= -0.661319 TDE= -4.400778 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039069 tlogG= -0.619565 logG= -0.658634 Density= 3.418046 ETOT(band)= -1.563998 trlgG= -2.230858 logG= -0.658634 TDE= -4.398407 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039021 tlogG= -0.620166 logG= -0.659188 Density= 3.418075 ETOT(band)= -1.564457 trlgG= -2.230780 logG= -0.659188 TDE= -4.397799 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038896 tlogG= -0.625293 logG= -0.664189 Density= 3.416940 ETOT(band)= -1.569325 trlgG= -2.241891 logG= -0.664189 TDE= -4.402970 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038762 tlogG= -0.625885 logG= -0.664647 Density= 3.416350 ETOT(band)= -1.570384 trlgG= -2.242039 logG= -0.664647 TDE= -4.402172 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038797 tlogG= -0.623110 logG= -0.661907 Density= 3.416781 ETOT(band)= -1.568047 trlgG= -2.236762 logG= -0.661907 TDE= -4.399991 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039375 tlogG= -0.612939 logG= -0.652314 Density= 3.419971 ETOT(band)= -1.557200 trlgG= -2.220892 logG= -0.652314 TDE= -4.396352 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038839 tlogG= -0.625423 logG= -0.664262 Density= 3.416516 ETOT(band)= -1.569829 trlgG= -2.242461 logG= -0.664262 TDE= -4.403117 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039073 tlogG= -0.620372 logG= -0.659445 Density= 3.418609 ETOT(band)= -1.564307 trlgG= -2.230479 logG= -0.659445 TDE= -4.397682 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039233 tlogG= -0.614126 logG= -0.653359 Density= 3.419526 ETOT(band)= -1.558713 trlgG= -2.221081 logG= -0.653359 TDE= -4.395128 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038963 tlogG= -0.620166 logG= -0.659129 Density= 3.417493 ETOT(band)= -1.565094 trlgG= -2.231924 logG= -0.659129 TDE= -4.398520 logGD-logG0= -0.039303 tlogG= -0.613541 logG= -0.652844 Density= 3.419738 ETOT(band)= -1.557973 trlgG= -2.221333 logG= -0.652844 TDE= -4.396070 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039417 tlogG= -0.610579 logG= -0.649996 Density= 3.420371 ETOT(band)= -1.555083 trlgG= -2.216898 logG= -0.649996 TDE= -4.395007 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038845 tlogG= -0.622788 logG= -0.661634 Density= 3.416777 ETOT(band)= -1.567756 trlgG= -2.236864 logG= -0.661634 TDE= -4.400363 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039163 tlogG= -0.617229 logG= -0.656392 Density= 3.418796 ETOT(band)= -1.561560 trlgG= -2.226932 logG= -0.656392 TDE= -4.397342 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039008 tlogG= -0.617923 logG= -0.656931 Density= 3.417855 ETOT(band)= -1.563105 trlgG= -2.228027 logG= -0.656931 TDE= -4.397121 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038981 tlogG= -0.622162 logG= -0.661143 Density= 3.417556 ETOT(band)= -1.566397 trlgG= -2.235791 logG= -0.661143 TDE= -4.400425 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039164 tlogG= -0.617955 logG= -0.657119 Density= 3.419252 ETOT(band)= -1.561996 trlgG= -2.226419 logG= -0.657119 TDE= -4.396480 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1021.62237909296 eV TrLogG= -1458.09431414228 eV Ratio to renormalize= 0.999610837094 rho-rho_expected= 0.063847563716 nargs= 1 argi=dmft2.def 4) Finished k-point number 5 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 20) Finished k-point number 21 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 41) Finished k-point number 42 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 11) Finished k-point number 12 1 with #bands= 107 45) Finished k-point number 46 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800749785340563 0.802621278148666 0.802466138608890 0.800321714179902 0.803153846716161 0.802426299052716 0.801044452973374 0.802484254234784 0.802570034074654 0.800956240556823 0.802685640166573 0.802472275843344 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038852 tlogG= -0.625773 logG= -0.664624 Density= 3.416907 ETOT(band)= -1.569827 trlgG= -2.241420 logG= -0.664624 TDE= -4.402037 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038757 tlogG= -0.627768 logG= -0.666525 Density= 3.416185 ETOT(band)= -1.571852 trlgG= -2.245613 logG= -0.666525 TDE= -4.403732 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.039008 tlogG= -0.622804 logG= -0.661811 Density= 3.418153 ETOT(band)= -1.566637 trlgG= -2.235063 logG= -0.661811 TDE= -4.399523 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038993 tlogG= -0.622522 logG= -0.661515 Density= 3.417839 ETOT(band)= -1.566573 trlgG= -2.235559 logG= -0.661515 TDE= -4.400055 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038869 tlogG= -0.623672 logG= -0.662541 Density= 3.417086 ETOT(band)= -1.568136 trlgG= -2.237725 logG= -0.662541 TDE= -4.400573 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=118 logGD-logG0= -0.039035 tlogG= -0.620392 logG= -0.659427 Density= 3.418282 ETOT(band)= -1.564671 trlgG= -2.231036 logG= -0.659427 TDE= -4.397986 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039024 tlogG= -0.620201 logG= -0.659225 Density= 3.418083 ETOT(band)= -1.564497 trlgG= -2.230856 logG= -0.659225 TDE= -4.397844 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039420 tlogG= -0.610613 logG= -0.650033 Density= 3.420379 ETOT(band)= -1.555123 trlgG= -2.216977 logG= -0.650033 TDE= -4.395054 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038945 tlogG= -0.626618 logG= -0.665563 Density= 3.416746 ETOT(band)= -1.570332 trlgG= -2.245679 logG= -0.665563 TDE= -4.405223 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039072 tlogG= -0.619600 logG= -0.658671 Density= 3.418054 ETOT(band)= -1.564038 trlgG= -2.230935 logG= -0.658671 TDE= -4.398453 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038966 tlogG= -0.620201 logG= -0.659167 Density= 3.417501 ETOT(band)= -1.565134 trlgG= -2.232000 logG= -0.659167 TDE= -4.398565 logGD-logG0= -0.038972 tlogG= -0.622776 logG= -0.661748 Density= 3.417196 ETOT(band)= -1.567187 trlgG= -2.237683 logG= -0.661748 TDE= -4.401415 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039232 tlogG= -0.613734 logG= -0.652966 Density= 3.419190 ETOT(band)= -1.558633 trlgG= -2.221984 logG= -0.652966 TDE= -4.396146 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039054 tlogG= -0.620015 logG= -0.659070 Density= 3.418152 ETOT(band)= -1.564387 trlgG= -2.231148 logG= -0.659070 TDE= -4.398348 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038903 tlogG= -0.622454 logG= -0.661357 Density= 3.416792 ETOT(band)= -1.567445 trlgG= -2.237035 logG= -0.661357 TDE= -4.400824 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038899 tlogG= -0.625327 logG= -0.664226 Density= 3.416948 ETOT(band)= -1.569364 trlgG= -2.241967 logG= -0.664226 TDE= -4.403016 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038958 tlogG= -0.618336 logG= -0.657294 Density= 3.417853 ETOT(band)= -1.563514 trlgG= -2.227909 logG= -0.657294 TDE= -4.396638 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038920 tlogG= -0.623232 logG= -0.662152 Density= 3.417121 ETOT(band)= -1.567683 trlgG= -2.237772 logG= -0.662152 TDE= -4.401037 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038952 tlogG= -0.624854 logG= -0.663806 Density= 3.417018 ETOT(band)= -1.568849 trlgG= -2.241919 logG= -0.663806 TDE= -4.403445 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039152 tlogG= -0.616361 logG= -0.655513 Density= 3.418705 ETOT(band)= -1.561082 trlgG= -2.225802 logG= -0.655513 TDE= -4.397016 logGD-logG0= -0.038848 tlogG= -0.622823 logG= -0.661671 Density= 3.416784 ETOT(band)= -1.567796 trlgG= -2.236940 logG= -0.661671 TDE= -4.400409 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039213 tlogG= -0.615845 logG= -0.655058 Density= 3.418849 ETOT(band)= -1.560471 trlgG= -2.225492 logG= -0.655058 TDE= -4.397280 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038904 tlogG= -0.620570 logG= -0.659474 Density= 3.416967 ETOT(band)= -1.565950 trlgG= -2.232625 logG= -0.659474 TDE= -4.398442 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038841 tlogG= -0.625457 logG= -0.664299 Density= 3.416524 ETOT(band)= -1.569868 trlgG= -2.242537 logG= -0.664299 TDE= -4.403162 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039236 tlogG= -0.614161 logG= -0.653397 Density= 3.419534 ETOT(band)= -1.558753 trlgG= -2.221159 logG= -0.653397 TDE= -4.395174 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038849 tlogG= -0.627212 logG= -0.666061 Density= 3.416447 ETOT(band)= -1.571125 trlgG= -2.246040 logG= -0.666061 TDE= -4.404840 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038913 tlogG= -0.620600 logG= -0.659513 Density= 3.417472 ETOT(band)= -1.565534 trlgG= -2.232015 logG= -0.659513 TDE= -4.398209 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038920 tlogG= -0.624957 logG= -0.663877 Density= 3.416707 ETOT(band)= -1.569255 trlgG= -2.242381 logG= -0.663877 TDE= -4.403579 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039166 tlogG= -0.617263 logG= -0.656429 Density= 3.418803 ETOT(band)= -1.561600 trlgG= -2.227009 logG= -0.656429 TDE= -4.397389 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039320 tlogG= -0.613118 logG= -0.652438 Density= 3.419479 ETOT(band)= -1.557817 trlgG= -2.221466 logG= -0.652438 TDE= -4.396395 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039145 tlogG= -0.614321 logG= -0.653466 Density= 3.418899 ETOT(band)= -1.559417 trlgG= -2.221794 logG= -0.653466 TDE= -4.395215 logGD-logG0= -0.039018 tlogG= -0.619761 logG= -0.658779 Density= 3.417545 ETOT(band)= -1.564674 trlgG= -2.231600 logG= -0.658779 TDE= -4.398590 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039061 tlogG= -0.617551 logG= -0.656612 Density= 3.417878 ETOT(band)= -1.562744 trlgG= -2.227991 logG= -0.656612 TDE= -4.397422 logGD-logG0= -0.039378 tlogG= -0.612974 logG= -0.652352 Density= 3.419979 ETOT(band)= -1.557240 trlgG= -2.220971 logG= -0.652352 TDE= -4.396400 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.039540 tlogG= -0.609821 logG= -0.649362 Density= 3.420926 ETOT(band)= -1.553943 trlgG= -2.216054 logG= -0.649362 TDE= -4.395256 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038984 tlogG= -0.622197 logG= -0.661181 Density= 3.417563 ETOT(band)= -1.566437 trlgG= -2.235868 logG= -0.661181 TDE= -4.400470 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038845 tlogG= -0.621069 logG= -0.659915 Density= 3.417263 ETOT(band)= -1.566191 trlgG= -2.232832 logG= -0.659915 TDE= -4.398453 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039135 tlogG= -0.620603 logG= -0.659738 Density= 3.419202 ETOT(band)= -1.564155 trlgG= -2.230242 logG= -0.659738 TDE= -4.397643 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038799 tlogG= -0.623145 logG= -0.661944 Density= 3.416789 ETOT(band)= -1.568087 trlgG= -2.236837 logG= -0.661944 TDE= -4.400035 logGD-logG0= -0.039166 tlogG= -0.617990 logG= -0.657156 Density= 3.419259 ETOT(band)= -1.562036 trlgG= -2.226496 logG= -0.657156 TDE= -4.396525 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039076 tlogG= -0.620407 logG= -0.659482 Density= 3.418616 ETOT(band)= -1.564347 trlgG= -2.230555 logG= -0.659482 TDE= -4.397727 logGD-logG0= -0.038871 tlogG= -0.620825 logG= -0.659696 Density= 3.417110 ETOT(band)= -1.566079 trlgG= -2.232660 logG= -0.659696 TDE= -4.398372 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039164 tlogG= -0.617635 logG= -0.656799 Density= 3.419020 ETOT(band)= -1.561836 trlgG= -2.226915 logG= -0.656799 TDE= -4.397104 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039094 tlogG= -0.616873 logG= -0.655967 Density= 3.418593 ETOT(band)= -1.561671 trlgG= -2.225685 logG= -0.655967 TDE= -4.396352 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038765 tlogG= -0.625919 logG= -0.664684 Density= 3.416358 ETOT(band)= -1.570423 trlgG= -2.242114 logG= -0.664684 TDE= -4.402217 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039299 tlogG= -0.611331 logG= -0.650630 Density= 3.419855 ETOT(band)= -1.556202 trlgG= -2.216979 logG= -0.650630 TDE= -4.394027 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039011 tlogG= -0.617958 logG= -0.656969 Density= 3.417863 ETOT(band)= -1.563145 trlgG= -2.228105 logG= -0.656969 TDE= -4.397167 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039306 tlogG= -0.613576 logG= -0.652881 Density= 3.419745 ETOT(band)= -1.558013 trlgG= -2.221411 logG= -0.652881 TDE= -4.396118 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1021.64833365446 eV TrLogG= -1458.14855671775 eV Ratio to renormalize= 0.999608581781 rho-rho_expected= 0.064217723863 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 21) Finished k-point number 22 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 22) Finished k-point number 23 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 15) Finished k-point number 16 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 20) Finished k-point number 21 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 107 45) Finished k-point number 46 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800765311003521 0.802650793654162 0.802511296454215 0.800337046350000 0.803184424729044 0.802470323979396 0.801060056618764 0.802513663916424 0.802615052926255 0.800971602127446 0.802715415423026 0.802517183385343 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038922 tlogG= -0.624901 logG= -0.663823 Density= 3.416719 ETOT(band)= -1.569264 trlgG= -2.242339 logG= -0.663823 TDE= -4.403601 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038871 tlogG= -0.623616 logG= -0.662487 Density= 3.417097 ETOT(band)= -1.568146 trlgG= -2.237683 logG= -0.662487 TDE= -4.400593 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038848 tlogG= -0.621014 logG= -0.659862 Density= 3.417274 ETOT(band)= -1.566202 trlgG= -2.232790 logG= -0.659862 TDE= -4.398472 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038954 tlogG= -0.624798 logG= -0.663752 Density= 3.417030 ETOT(band)= -1.568858 trlgG= -2.241877 logG= -0.663752 TDE= -4.403467 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038915 tlogG= -0.620544 logG= -0.659459 Density= 3.417482 ETOT(band)= -1.565545 trlgG= -2.231973 logG= -0.659459 TDE= -4.398230 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038996 tlogG= -0.622466 logG= -0.661462 Density= 3.417850 ETOT(band)= -1.566583 trlgG= -2.235517 logG= -0.661462 TDE= -4.400076 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039234 tlogG= -0.613678 logG= -0.652912 Density= 3.419201 ETOT(band)= -1.558642 trlgG= -2.221947 logG= -0.652912 TDE= -4.396172 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038947 tlogG= -0.626561 logG= -0.665509 Density= 3.416758 ETOT(band)= -1.570341 trlgG= -2.245636 logG= -0.665509 TDE= -4.405245 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038906 tlogG= -0.620515 logG= -0.659420 Density= 3.416977 ETOT(band)= -1.565960 trlgG= -2.232583 logG= -0.659420 TDE= -4.398462 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038873 tlogG= -0.620770 logG= -0.659643 Density= 3.417120 ETOT(band)= -1.566090 trlgG= -2.232618 logG= -0.659643 TDE= -4.398392 logGD-logG0= -0.039380 tlogG= -0.612918 logG= -0.652298 Density= 3.419991 ETOT(band)= -1.557249 trlgG= -2.220932 logG= -0.652298 TDE= -4.396425 logGD-logG0= -0.038854 tlogG= -0.625717 logG= -0.664570 Density= 3.416918 ETOT(band)= -1.569837 trlgG= -2.241378 logG= -0.664570 TDE= -4.402057 logGD-logG0= -0.038759 tlogG= -0.627711 logG= -0.666471 Density= 3.416196 ETOT(band)= -1.571862 trlgG= -2.245572 logG= -0.666471 TDE= -4.403754 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039097 tlogG= -0.616817 logG= -0.655914 Density= 3.418604 ETOT(band)= -1.561681 trlgG= -2.225646 logG= -0.655914 TDE= -4.396376 logGD-logG0= -0.039010 tlogG= -0.622748 logG= -0.661758 Density= 3.418164 ETOT(band)= -1.566647 trlgG= -2.235020 logG= -0.661758 TDE= -4.399542 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039154 tlogG= -0.616305 logG= -0.655459 Density= 3.418717 ETOT(band)= -1.561092 trlgG= -2.225765 logG= -0.655459 TDE= -4.397042 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038960 tlogG= -0.618281 logG= -0.657241 Density= 3.417863 ETOT(band)= -1.563525 trlgG= -2.227870 logG= -0.657241 TDE= -4.396661 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038844 tlogG= -0.625401 logG= -0.664245 Density= 3.416535 ETOT(band)= -1.569878 trlgG= -2.242496 logG= -0.664245 TDE= -4.403184 logGD-logG0= -0.039301 tlogG= -0.611275 logG= -0.650576 Density= 3.419867 ETOT(band)= -1.556211 trlgG= -2.216942 logG= -0.650576 TDE= -4.394053 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039037 tlogG= -0.620336 logG= -0.659373 Density= 3.418292 ETOT(band)= -1.564681 trlgG= -2.230995 logG= -0.659373 TDE= -4.398007 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039322 tlogG= -0.613062 logG= -0.652384 Density= 3.419491 ETOT(band)= -1.557825 trlgG= -2.221428 logG= -0.652384 TDE= -4.396421 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038851 tlogG= -0.627155 logG= -0.666006 Density= 3.416459 ETOT(band)= -1.571135 trlgG= -2.245998 logG= -0.666006 TDE= -4.404861 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039056 tlogG= -0.619960 logG= -0.659016 Density= 3.418163 ETOT(band)= -1.564396 trlgG= -2.231107 logG= -0.659016 TDE= -4.398370 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039169 tlogG= -0.617934 logG= -0.657103 Density= 3.419270 ETOT(band)= -1.562046 trlgG= -2.226456 logG= -0.657103 TDE= -4.396548 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039063 tlogG= -0.617495 logG= -0.656559 Density= 3.417889 ETOT(band)= -1.562754 trlgG= -2.227953 logG= -0.656559 TDE= -4.397447 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038922 tlogG= -0.623176 logG= -0.662098 Density= 3.417132 ETOT(band)= -1.567693 trlgG= -2.237730 logG= -0.662098 TDE= -4.401059 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039166 tlogG= -0.617580 logG= -0.656745 Density= 3.419031 ETOT(band)= -1.561846 trlgG= -2.226876 logG= -0.656745 TDE= -4.397128 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039148 tlogG= -0.614265 logG= -0.653413 Density= 3.418910 ETOT(band)= -1.559427 trlgG= -2.221756 logG= -0.653413 TDE= -4.395240 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038802 tlogG= -0.623089 logG= -0.661891 Density= 3.416799 ETOT(band)= -1.568098 trlgG= -2.236794 logG= -0.661891 TDE= -4.400054 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038986 tlogG= -0.622141 logG= -0.661127 Density= 3.417575 ETOT(band)= -1.566446 trlgG= -2.235826 logG= -0.661127 TDE= -4.400492 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039026 tlogG= -0.620145 logG= -0.659171 Density= 3.418095 ETOT(band)= -1.564506 trlgG= -2.230814 logG= -0.659171 TDE= -4.397866 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039215 tlogG= -0.615789 logG= -0.655004 Density= 3.418861 ETOT(band)= -1.560479 trlgG= -2.225454 logG= -0.655004 TDE= -4.397306 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038850 tlogG= -0.622767 logG= -0.661617 Density= 3.416795 ETOT(band)= -1.567806 trlgG= -2.236899 logG= -0.661617 TDE= -4.400430 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038968 tlogG= -0.620145 logG= -0.659113 Density= 3.417512 ETOT(band)= -1.565143 trlgG= -2.231958 logG= -0.659113 TDE= -4.398586 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038767 tlogG= -0.625863 logG= -0.664630 Density= 3.416368 ETOT(band)= -1.570433 trlgG= -2.242072 logG= -0.664630 TDE= -4.402237 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038901 tlogG= -0.625271 logG= -0.664172 Density= 3.416959 ETOT(band)= -1.569374 trlgG= -2.241925 logG= -0.664172 TDE= -4.403037 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039020 tlogG= -0.619705 logG= -0.658725 Density= 3.417556 ETOT(band)= -1.564684 trlgG= -2.231558 logG= -0.658725 TDE= -4.398611 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038905 tlogG= -0.622398 logG= -0.661303 Density= 3.416803 ETOT(band)= -1.567454 trlgG= -2.236993 logG= -0.661303 TDE= -4.400846 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039542 tlogG= -0.609765 logG= -0.649308 Density= 3.420939 ETOT(band)= -1.553950 trlgG= -2.216015 logG= -0.649308 TDE= -4.395281 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039238 tlogG= -0.614105 logG= -0.653343 Density= 3.419545 ETOT(band)= -1.558762 trlgG= -2.221121 logG= -0.653343 TDE= -4.395200 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038975 tlogG= -0.622719 logG= -0.661694 Density= 3.417208 ETOT(band)= -1.567196 trlgG= -2.237641 logG= -0.661694 TDE= -4.401436 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039422 tlogG= -0.610557 logG= -0.649980 Density= 3.420391 ETOT(band)= -1.555131 trlgG= -2.216938 logG= -0.649980 TDE= -4.395080 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039308 tlogG= -0.613520 logG= -0.652828 Density= 3.419757 ETOT(band)= -1.558022 trlgG= -2.221373 logG= -0.652828 TDE= -4.396143 logGD-logG0= -0.039168 tlogG= -0.617207 logG= -0.656375 Density= 3.418815 ETOT(band)= -1.561608 trlgG= -2.226970 logG= -0.656375 TDE= -4.397413 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039137 tlogG= -0.620548 logG= -0.659685 Density= 3.419213 ETOT(band)= -1.564165 trlgG= -2.230199 logG= -0.659685 TDE= -4.397661 logGD-logG0= -0.039074 tlogG= -0.619544 logG= -0.658618 Density= 3.418066 ETOT(band)= -1.564047 trlgG= -2.230894 logG= -0.658618 TDE= -4.398475 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039013 tlogG= -0.617902 logG= -0.656915 Density= 3.417874 ETOT(band)= -1.563155 trlgG= -2.228067 logG= -0.656915 TDE= -4.397192 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039078 tlogG= -0.620351 logG= -0.659429 Density= 3.418628 ETOT(band)= -1.564357 trlgG= -2.230512 logG= -0.659429 TDE= -4.397747 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1021.65457383316 eV TrLogG= -1458.12812012273 eV Ratio to renormalize= 0.999605303739 rho-rho_expected= 0.064755745620 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 42) Finished k-point number 43 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 45) Finished k-point number 46 1 with #bands= 107 21) Finished k-point number 22 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 44) Finished k-point number 45 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800746609515723 0.802631677660154 0.802499803560561 0.800318191954542 0.803166721774501 0.802457723909275 0.801041408157234 0.802494620956333 0.802603524491294 0.800952994113104 0.802696399848166 0.802505628260213 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038901 tlogG= -0.622403 logG= -0.661304 Density= 3.416790 ETOT(band)= -1.567428 trlgG= -2.236968 logG= -0.661304 TDE= -4.400808 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038850 tlogG= -0.625721 logG= -0.664572 Density= 3.416904 ETOT(band)= -1.569810 trlgG= -2.241354 logG= -0.664572 TDE= -4.402021 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038755 tlogG= -0.627717 logG= -0.666472 Density= 3.416182 ETOT(band)= -1.571836 trlgG= -2.245547 logG= -0.666472 TDE= -4.403717 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039006 tlogG= -0.622753 logG= -0.661758 Density= 3.418151 ETOT(band)= -1.566621 trlgG= -2.234996 logG= -0.661758 TDE= -4.399507 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038992 tlogG= -0.622471 logG= -0.661462 Density= 3.417837 ETOT(band)= -1.566556 trlgG= -2.235492 logG= -0.661462 TDE= -4.400039 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039297 tlogG= -0.611280 logG= -0.650577 Density= 3.419853 ETOT(band)= -1.556185 trlgG= -2.216914 logG= -0.650577 TDE= -4.394013 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038964 tlogG= -0.620150 logG= -0.659114 Density= 3.417499 ETOT(band)= -1.565117 trlgG= -2.231933 logG= -0.659114 TDE= -4.398549 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038943 tlogG= -0.626567 logG= -0.665510 Density= 3.416745 ETOT(band)= -1.570315 trlgG= -2.245611 logG= -0.665510 TDE= -4.405208 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038846 tlogG= -0.622772 logG= -0.661618 Density= 3.416782 ETOT(band)= -1.567779 trlgG= -2.236874 logG= -0.661618 TDE= -4.400393 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038867 tlogG= -0.623621 logG= -0.662488 Density= 3.417084 ETOT(band)= -1.568120 trlgG= -2.237659 logG= -0.662488 TDE= -4.400557 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038844 tlogG= -0.621019 logG= -0.659862 Density= 3.417261 ETOT(band)= -1.566175 trlgG= -2.232766 logG= -0.659862 TDE= -4.398437 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038918 tlogG= -0.624906 logG= -0.663824 Density= 3.416706 ETOT(band)= -1.569238 trlgG= -2.242314 logG= -0.663824 TDE= -4.403564 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039418 tlogG= -0.610562 logG= -0.649980 Density= 3.420377 ETOT(band)= -1.555105 trlgG= -2.216910 logG= -0.649980 TDE= -4.395040 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038911 tlogG= -0.620549 logG= -0.659460 Density= 3.417469 ETOT(band)= -1.565518 trlgG= -2.231948 logG= -0.659460 TDE= -4.398194 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.039234 tlogG= -0.614110 logG= -0.653344 Density= 3.419531 ETOT(band)= -1.558736 trlgG= -2.221094 logG= -0.653344 TDE= -4.395160 logGD-logG0= -0.039022 tlogG= -0.620149 logG= -0.659172 Density= 3.418081 ETOT(band)= -1.564480 trlgG= -2.230790 logG= -0.659172 TDE= -4.397829 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039230 tlogG= -0.613683 logG= -0.652913 Density= 3.419188 ETOT(band)= -1.558616 trlgG= -2.221919 logG= -0.652913 TDE= -4.396132 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039150 tlogG= -0.616310 logG= -0.655460 Density= 3.418703 ETOT(band)= -1.561065 trlgG= -2.225736 logG= -0.655460 TDE= -4.397002 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039538 tlogG= -0.609770 logG= -0.649308 Density= 3.420925 ETOT(band)= -1.553924 trlgG= -2.215987 logG= -0.649308 TDE= -4.395241 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038902 tlogG= -0.620519 logG= -0.659421 Density= 3.416964 ETOT(band)= -1.565933 trlgG= -2.232558 logG= -0.659421 TDE= -4.398425 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038840 tlogG= -0.625406 logG= -0.664246 Density= 3.416522 ETOT(band)= -1.569852 trlgG= -2.242471 logG= -0.664246 TDE= -4.403147 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039033 tlogG= -0.620341 logG= -0.659374 Density= 3.418279 ETOT(band)= -1.564654 trlgG= -2.230969 logG= -0.659374 TDE= -4.397970 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039009 tlogG= -0.617907 logG= -0.656916 Density= 3.417861 ETOT(band)= -1.563128 trlgG= -2.228040 logG= -0.656916 TDE= -4.397153 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039053 tlogG= -0.619964 logG= -0.659017 Density= 3.418150 ETOT(band)= -1.564370 trlgG= -2.231081 logG= -0.659017 TDE= -4.398333 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039133 tlogG= -0.620552 logG= -0.659685 Density= 3.419200 ETOT(band)= -1.564139 trlgG= -2.230175 logG= -0.659685 TDE= -4.397626 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038763 tlogG= -0.625868 logG= -0.664631 Density= 3.416355 ETOT(band)= -1.570407 trlgG= -2.242048 logG= -0.664631 TDE= -4.402201 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039070 tlogG= -0.619548 logG= -0.658618 Density= 3.418052 ETOT(band)= -1.564021 trlgG= -2.230868 logG= -0.658618 TDE= -4.398438 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038950 tlogG= -0.624803 logG= -0.663753 Density= 3.417016 ETOT(band)= -1.568832 trlgG= -2.241852 logG= -0.663753 TDE= -4.403430 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039074 tlogG= -0.620355 logG= -0.659429 Density= 3.418614 ETOT(band)= -1.564330 trlgG= -2.230488 logG= -0.659429 TDE= -4.397711 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038956 tlogG= -0.618285 logG= -0.657241 Density= 3.417850 ETOT(band)= -1.563498 trlgG= -2.227844 logG= -0.657241 TDE= -4.396623 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039304 tlogG= -0.613524 logG= -0.652828 Density= 3.419744 ETOT(band)= -1.557995 trlgG= -2.221345 logG= -0.652828 TDE= -4.396103 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039144 tlogG= -0.614270 logG= -0.653414 Density= 3.418896 ETOT(band)= -1.559401 trlgG= -2.221729 logG= -0.653414 TDE= -4.395201 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038869 tlogG= -0.620774 logG= -0.659643 Density= 3.417107 ETOT(band)= -1.566063 trlgG= -2.232593 logG= -0.659643 TDE= -4.398356 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039093 tlogG= -0.616822 logG= -0.655914 Density= 3.418590 ETOT(band)= -1.561655 trlgG= -2.225619 logG= -0.655914 TDE= -4.396337 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038847 tlogG= -0.627161 logG= -0.666008 Density= 3.416445 ETOT(band)= -1.571108 trlgG= -2.245973 logG= -0.666008 TDE= -4.404824 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039318 tlogG= -0.613067 logG= -0.652385 Density= 3.419477 ETOT(band)= -1.557799 trlgG= -2.221400 logG= -0.652385 TDE= -4.396381 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038982 tlogG= -0.622145 logG= -0.661128 Density= 3.417562 ETOT(band)= -1.566419 trlgG= -2.235800 logG= -0.661128 TDE= -4.400455 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038798 tlogG= -0.623094 logG= -0.661892 Density= 3.416786 ETOT(band)= -1.568071 trlgG= -2.236770 logG= -0.661892 TDE= -4.400019 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038971 tlogG= -0.622724 logG= -0.661695 Density= 3.417195 ETOT(band)= -1.567169 trlgG= -2.237615 logG= -0.661695 TDE= -4.401399 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039376 tlogG= -0.612923 logG= -0.652299 Density= 3.419978 ETOT(band)= -1.557222 trlgG= -2.220904 logG= -0.652299 TDE= -4.396385 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039016 tlogG= -0.619709 logG= -0.658726 Density= 3.417543 ETOT(band)= -1.564657 trlgG= -2.231533 logG= -0.658726 TDE= -4.398574 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039165 tlogG= -0.617939 logG= -0.657103 Density= 3.419257 ETOT(band)= -1.562019 trlgG= -2.226429 logG= -0.657103 TDE= -4.396509 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038897 tlogG= -0.625276 logG= -0.664173 Density= 3.416946 ETOT(band)= -1.569347 trlgG= -2.241900 logG= -0.664173 TDE= -4.403000 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039162 tlogG= -0.617584 logG= -0.656746 Density= 3.419018 ETOT(band)= -1.561819 trlgG= -2.226849 logG= -0.656746 TDE= -4.397089 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039164 tlogG= -0.617212 logG= -0.656376 Density= 3.418802 ETOT(band)= -1.561582 trlgG= -2.226943 logG= -0.656376 TDE= -4.397374 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038918 tlogG= -0.623181 logG= -0.662099 Density= 3.417119 ETOT(band)= -1.567667 trlgG= -2.237705 logG= -0.662099 TDE= -4.401022 logGD-logG0= -0.039211 tlogG= -0.615793 logG= -0.655005 logGD-logG0= -0.039059 tlogG= -0.617500 logG= -0.656559 Density= 3.417876 ETOT(band)= -1.562727 trlgG= -2.227925 logG= -0.656559 TDE= -4.397408 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 Density= 3.418847 ETOT(band)= -1.560453 trlgG= -2.225426 logG= -0.655005 TDE= -4.397266 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 Sum of eigenvalues= -1021.63733952592 eV TrLogG= -1458.10405588691 eV Ratio to renormalize= 0.999609199576 rho-rho_expected= 0.064116326142 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 41) Finished k-point number 42 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 21) Finished k-point number 22 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 11) Finished k-point number 12 1 with #bands= 107 35) Finished k-point number 36 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800761027734392 0.802634585375101 0.802500849399518 0.800333060131643 0.803167401230011 0.802460391220147 0.801055906035759 0.802497275991353 0.802604465785473 0.800967563881879 0.802698965935150 0.802506721679239 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038757 tlogG= -0.627695 logG= -0.666452 Density= 3.416190 ETOT(band)= -1.571835 trlgG= -2.245526 logG= -0.666452 TDE= -4.403722 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.039232 tlogG= -0.613663 logG= -0.652896 Density= 3.419195 ETOT(band)= -1.558617 trlgG= -2.221901 logG= -0.652896 TDE= -4.396138 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039055 tlogG= -0.619944 logG= -0.658998 Density= 3.418157 ETOT(band)= -1.564370 trlgG= -2.231062 logG= -0.658998 TDE= -4.398338 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038904 tlogG= -0.620499 logG= -0.659403 Density= 3.416972 ETOT(band)= -1.565934 trlgG= -2.232541 logG= -0.659403 TDE= -4.398432 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038903 tlogG= -0.622382 logG= -0.661285 Density= 3.416798 ETOT(band)= -1.567428 trlgG= -2.236950 logG= -0.661285 TDE= -4.400815 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039095 tlogG= -0.616802 logG= -0.655896 Density= 3.418598 ETOT(band)= -1.561655 trlgG= -2.225600 logG= -0.655896 TDE= -4.396342 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038849 tlogG= -0.627139 logG= -0.665988 Density= 3.416453 ETOT(band)= -1.571107 trlgG= -2.245952 logG= -0.665988 TDE= -4.404830 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039164 tlogG= -0.617564 logG= -0.656728 Density= 3.419025 ETOT(band)= -1.561820 trlgG= -2.226831 logG= -0.656728 TDE= -4.397095 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038870 tlogG= -0.623599 logG= -0.662469 Density= 3.417091 ETOT(band)= -1.568120 trlgG= -2.237638 logG= -0.662469 TDE= -4.400563 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038920 tlogG= -0.623160 logG= -0.662080 Density= 3.417126 ETOT(band)= -1.567666 trlgG= -2.237685 logG= -0.662080 TDE= -4.401028 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038973 tlogG= -0.622703 logG= -0.661676 Density= 3.417202 ETOT(band)= -1.567169 trlgG= -2.237596 logG= -0.661676 TDE= -4.401405 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038958 tlogG= -0.618265 logG= -0.657223 Density= 3.417857 ETOT(band)= -1.563499 trlgG= -2.227825 logG= -0.657223 TDE= -4.396629 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039540 tlogG= -0.609751 logG= -0.649291 Density= 3.420932 ETOT(band)= -1.553926 trlgG= -2.215969 logG= -0.649291 TDE= -4.395247 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038846 tlogG= -0.620998 logG= -0.659844 Density= 3.417268 ETOT(band)= -1.566176 trlgG= -2.232747 logG= -0.659844 TDE= -4.398442 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039146 tlogG= -0.614250 logG= -0.653396 Density= 3.418904 ETOT(band)= -1.559402 trlgG= -2.221711 logG= -0.653396 TDE= -4.395206 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038852 tlogG= -0.625700 logG= -0.664552 Density= 3.416912 ETOT(band)= -1.569809 trlgG= -2.241333 logG= -0.664552 TDE= -4.402026 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039167 tlogG= -0.617918 logG= -0.657085 Density= 3.419265 ETOT(band)= -1.562019 trlgG= -2.226410 logG= -0.657085 TDE= -4.396515 logGD-logG0= -0.038994 tlogG= -0.622450 logG= -0.661443 Density= 3.417845 ETOT(band)= -1.566556 trlgG= -2.235472 logG= -0.661443 TDE= -4.400045 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038946 tlogG= -0.626545 logG= -0.665490 Density= 3.416753 ETOT(band)= -1.570314 trlgG= -2.245590 logG= -0.665490 TDE= -4.405213 logGD-logG0= -0.039036 tlogG= -0.620320 logG= -0.659356 Density= 3.418287 ETOT(band)= -1.564654 trlgG= -2.230950 logG= -0.659356 TDE= -4.397976 logGD-logG0= -0.039152 tlogG= -0.616290 logG= -0.655442 Density= 3.418710 ETOT(band)= -1.561066 trlgG= -2.225718 logG= -0.655442 TDE= -4.397008 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039076 tlogG= -0.620335 logG= -0.659411 Density= 3.418622 ETOT(band)= -1.564330 trlgG= -2.230468 logG= -0.659411 TDE= -4.397717 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038952 tlogG= -0.624782 logG= -0.663734 Density= 3.417024 ETOT(band)= -1.568831 trlgG= -2.241832 logG= -0.663734 TDE= -4.403435 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039166 tlogG= -0.617192 logG= -0.656358 Density= 3.418809 ETOT(band)= -1.561583 trlgG= -2.226924 logG= -0.656358 TDE= -4.397380 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038920 tlogG= -0.624885 logG= -0.663805 Density= 3.416713 ETOT(band)= -1.569238 trlgG= -2.242294 logG= -0.663805 TDE= -4.403569 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038913 tlogG= -0.620528 logG= -0.659442 Density= 3.417477 ETOT(band)= -1.565519 trlgG= -2.231929 logG= -0.659442 TDE= -4.398199 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038849 tlogG= -0.622751 logG= -0.661599 Density= 3.416790 ETOT(band)= -1.567780 trlgG= -2.236855 logG= -0.661599 TDE= -4.400399 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039378 tlogG= -0.612903 logG= -0.652281 Density= 3.419985 ETOT(band)= -1.557224 trlgG= -2.220886 logG= -0.652281 TDE= -4.396391 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039008 tlogG= -0.622732 logG= -0.661739 Density= 3.418159 ETOT(band)= -1.566620 trlgG= -2.234976 logG= -0.661739 TDE= -4.399512 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038871 tlogG= -0.620754 logG= -0.659625 Density= 3.417115 ETOT(band)= -1.566064 trlgG= -2.232575 logG= -0.659625 TDE= -4.398362 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038966 tlogG= -0.620129 logG= -0.659095 Density= 3.417506 ETOT(band)= -1.565117 trlgG= -2.231914 logG= -0.659095 TDE= -4.398555 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038899 tlogG= -0.625254 logG= -0.664154 Density= 3.416954 ETOT(band)= -1.569347 trlgG= -2.241880 logG= -0.664154 TDE= -4.403006 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038842 tlogG= -0.625385 logG= -0.664227 Density= 3.416529 ETOT(band)= -1.569851 trlgG= -2.242451 logG= -0.664227 TDE= -4.403153 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039072 tlogG= -0.619528 logG= -0.658600 Density= 3.418060 ETOT(band)= -1.564021 trlgG= -2.230849 logG= -0.658600 TDE= -4.398443 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039011 tlogG= -0.617887 logG= -0.656898 Density= 3.417868 ETOT(band)= -1.563129 trlgG= -2.228022 logG= -0.656898 TDE= -4.397159 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038984 tlogG= -0.622125 logG= -0.661109 Density= 3.417569 ETOT(band)= -1.566419 trlgG= -2.235781 logG= -0.661109 TDE= -4.400461 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039236 tlogG= -0.614090 logG= -0.653326 Density= 3.419539 ETOT(band)= -1.558737 trlgG= -2.221075 logG= -0.653326 TDE= -4.395166 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039135 tlogG= -0.620532 logG= -0.659667 Density= 3.419208 ETOT(band)= -1.564139 trlgG= -2.230155 logG= -0.659667 TDE= -4.397631 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039018 tlogG= -0.619689 logG= -0.658708 Density= 3.417550 ETOT(band)= -1.564658 trlgG= -2.231515 logG= -0.658708 TDE= -4.398580 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039299 tlogG= -0.611261 logG= -0.650560 Density= 3.419860 ETOT(band)= -1.556186 trlgG= -2.216896 logG= -0.650560 TDE= -4.394019 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039420 tlogG= -0.610543 logG= -0.649963 Density= 3.420384 ETOT(band)= -1.555107 trlgG= -2.216893 logG= -0.649963 TDE= -4.395045 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039214 tlogG= -0.615774 logG= -0.654987 Density= 3.418854 ETOT(band)= -1.560454 trlgG= -2.225407 logG= -0.654987 TDE= -4.397271 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039025 tlogG= -0.620129 logG= -0.659154 Density= 3.418089 ETOT(band)= -1.564480 trlgG= -2.230771 logG= -0.659154 TDE= -4.397835 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039320 tlogG= -0.613047 logG= -0.652367 Density= 3.419484 ETOT(band)= -1.557801 trlgG= -2.221382 logG= -0.652367 TDE= -4.396386 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039062 tlogG= -0.617480 logG= -0.656542 Density= 3.417883 ETOT(band)= -1.562728 trlgG= -2.227907 logG= -0.656542 TDE= -4.397413 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039306 tlogG= -0.613505 logG= -0.652811 Density= 3.419751 ETOT(band)= -1.557996 trlgG= -2.221327 logG= -0.652811 TDE= -4.396109 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038800 tlogG= -0.623073 logG= -0.661873 Density= 3.416794 ETOT(band)= -1.568071 trlgG= -2.236750 logG= -0.661873 TDE= -4.400024 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038765 tlogG= -0.625846 logG= -0.664612 Density= 3.416363 ETOT(band)= -1.570406 trlgG= -2.242027 logG= -0.664612 TDE= -4.402206 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 Sum of eigenvalues= -1021.63750168104 eV TrLogG= -1458.09569582915 eV Ratio to renormalize= 0.999606966808 rho-rho_expected= 0.064482787383 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 5) Finished k-point number 6 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 41) Finished k-point number 42 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 17) Finished k-point number 18 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 35) Finished k-point number 36 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 8) Finished k-point number 9 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800707984147705 0.802632770277127 0.802534127694971 0.800279043905772 0.803165565171100 0.802494658563523 0.801002798743947 0.802496087131462 0.802637388703247 0.800914288413629 0.802697950250502 0.802539554395147 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038891 tlogG= -0.620445 logG= -0.659335 Density= 3.416934 ETOT(band)= -1.565886 trlgG= -2.232431 logG= -0.659335 TDE= -4.398358 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038907 tlogG= -0.624831 logG= -0.663738 Density= 3.416676 ETOT(band)= -1.569189 trlgG= -2.242183 logG= -0.663738 TDE= -4.403495 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038932 tlogG= -0.626491 logG= -0.665423 Density= 3.416716 ETOT(band)= -1.570266 trlgG= -2.245479 logG= -0.665423 TDE= -4.405139 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039081 tlogG= -0.616747 logG= -0.655828 Density= 3.418559 ETOT(band)= -1.561607 trlgG= -2.225490 logG= -0.655828 TDE= -4.396268 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038744 tlogG= -0.627641 logG= -0.666385 Density= 3.416152 ETOT(band)= -1.571788 trlgG= -2.245417 logG= -0.666385 TDE= -4.403648 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038995 tlogG= -0.622677 logG= -0.661672 Density= 3.418121 ETOT(band)= -1.566572 trlgG= -2.234868 logG= -0.661672 TDE= -4.399440 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.038971 tlogG= -0.622070 logG= -0.661041 Density= 3.417533 ETOT(band)= -1.566370 trlgG= -2.235669 logG= -0.661041 TDE= -4.400386 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039153 tlogG= -0.617137 logG= -0.656290 Density= 3.418773 ETOT(band)= -1.561533 trlgG= -2.226811 logG= -0.656290 TDE= -4.397305 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.039132 tlogG= -0.614196 logG= -0.653328 Density= 3.418865 ETOT(band)= -1.559353 trlgG= -2.221601 logG= -0.653328 TDE= -4.395133 logGD-logG0= -0.039293 tlogG= -0.613450 logG= -0.652742 Density= 3.419714 ETOT(band)= -1.557947 trlgG= -2.221213 logG= -0.652742 TDE= -4.396032 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038907 tlogG= -0.623106 logG= -0.662012 Density= 3.417089 ETOT(band)= -1.567619 trlgG= -2.237575 logG= -0.662012 TDE= -4.400953 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039407 tlogG= -0.610488 logG= -0.649895 Density= 3.420347 ETOT(band)= -1.555057 trlgG= -2.216778 logG= -0.649895 TDE= -4.394968 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039041 tlogG= -0.619889 logG= -0.658930 Density= 3.418120 ETOT(band)= -1.564321 trlgG= -2.230952 logG= -0.658930 TDE= -4.398265 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038858 tlogG= -0.620700 logG= -0.659558 Density= 3.417077 ETOT(band)= -1.566016 trlgG= -2.232466 logG= -0.659558 TDE= -4.398289 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038890 tlogG= -0.622328 logG= -0.661218 Density= 3.416761 ETOT(band)= -1.567380 trlgG= -2.236838 logG= -0.661218 TDE= -4.400740 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039219 tlogG= -0.613609 logG= -0.652827 Density= 3.419157 ETOT(band)= -1.558568 trlgG= -2.221787 logG= -0.652827 TDE= -4.396061 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039005 tlogG= -0.619635 logG= -0.658640 Density= 3.417513 ETOT(band)= -1.564609 trlgG= -2.231405 logG= -0.658640 TDE= -4.398507 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=119 logGD-logG0= -0.038900 tlogG= -0.620474 logG= -0.659374 Density= 3.417438 ETOT(band)= -1.565471 trlgG= -2.231821 logG= -0.659374 TDE= -4.398127 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038856 tlogG= -0.623545 logG= -0.662401 Density= 3.417053 ETOT(band)= -1.568072 trlgG= -2.237531 logG= -0.662401 TDE= -4.400491 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039059 tlogG= -0.619473 logG= -0.658532 Density= 3.418023 ETOT(band)= -1.563971 trlgG= -2.230738 logG= -0.658532 TDE= -4.398369 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038980 tlogG= -0.622395 logG= -0.661376 Density= 3.417807 ETOT(band)= -1.566507 trlgG= -2.235360 logG= -0.661376 TDE= -4.399970 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038752 tlogG= -0.625793 logG= -0.664544 Density= 3.416325 ETOT(band)= -1.570359 trlgG= -2.241920 logG= -0.664544 TDE= -4.402135 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038829 tlogG= -0.625331 logG= -0.664159 Density= 3.416492 ETOT(band)= -1.569803 trlgG= -2.242340 logG= -0.664159 TDE= -4.403078 logGD-logG0= -0.039200 tlogG= -0.615719 logG= -0.654919 Density= 3.418818 ETOT(band)= -1.560404 trlgG= -2.225294 logG= -0.654919 TDE= -4.397195 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038945 tlogG= -0.618211 logG= -0.657155 Density= 3.417819 ETOT(band)= -1.563451 trlgG= -2.227716 logG= -0.657155 TDE= -4.396555 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039139 tlogG= -0.616235 logG= -0.655374 Density= 3.418673 ETOT(band)= -1.561017 trlgG= -2.225605 logG= -0.655374 TDE= -4.396932 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038953 tlogG= -0.620075 logG= -0.659028 Density= 3.417468 ETOT(band)= -1.565069 trlgG= -2.231805 logG= -0.659028 TDE= -4.398482 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039048 tlogG= -0.617425 logG= -0.656474 Density= 3.417846 ETOT(band)= -1.562679 trlgG= -2.227795 logG= -0.656474 TDE= -4.397338 logGD-logG0= -0.038886 tlogG= -0.625200 logG= -0.664086 Density= 3.416916 ETOT(band)= -1.569299 trlgG= -2.241769 logG= -0.664086 TDE= -4.402931 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038939 tlogG= -0.624727 logG= -0.663667 Density= 3.416988 ETOT(band)= -1.568782 trlgG= -2.241720 logG= -0.663667 TDE= -4.403361 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039153 tlogG= -0.617864 logG= -0.657017 Density= 3.419227 ETOT(band)= -1.561970 trlgG= -2.226298 logG= -0.657017 TDE= -4.396440 logGD-logG0= -0.039223 tlogG= -0.614035 logG= -0.653258 Density= 3.419501 ETOT(band)= -1.558688 trlgG= -2.220964 logG= -0.653258 TDE= -4.395091 logGD-logG0= -0.039022 tlogG= -0.620266 logG= -0.659288 Density= 3.418249 ETOT(band)= -1.564606 trlgG= -2.230839 logG= -0.659288 TDE= -4.397902 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039527 tlogG= -0.609696 logG= -0.649223 Density= 3.420895 ETOT(band)= -1.553876 trlgG= -2.215854 logG= -0.649223 TDE= -4.395170 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039011 tlogG= -0.620074 logG= -0.659085 Density= 3.418052 ETOT(band)= -1.564430 trlgG= -2.230661 logG= -0.659085 TDE= -4.397763 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038839 tlogG= -0.625646 logG= -0.664485 Density= 3.416874 ETOT(band)= -1.569762 trlgG= -2.241225 logG= -0.664485 TDE= -4.401954 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039365 tlogG= -0.612848 logG= -0.652213 Density= 3.419948 ETOT(band)= -1.557173 trlgG= -2.220772 logG= -0.652213 TDE= -4.396314 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038786 tlogG= -0.623019 logG= -0.661805 Density= 3.416755 ETOT(band)= -1.568024 trlgG= -2.236645 logG= -0.661805 TDE= -4.399955 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039286 tlogG= -0.611206 logG= -0.650491 Density= 3.419822 ETOT(band)= -1.556138 trlgG= -2.216783 logG= -0.650491 TDE= -4.393942 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038832 tlogG= -0.620944 logG= -0.659776 Density= 3.417230 ETOT(band)= -1.566128 trlgG= -2.232642 logG= -0.659776 TDE= -4.398373 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038836 tlogG= -0.627085 logG= -0.665921 Density= 3.416416 ETOT(band)= -1.571060 trlgG= -2.245842 logG= -0.665921 TDE= -4.404755 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038835 tlogG= -0.622697 logG= -0.661532 Density= 3.416752 ETOT(band)= -1.567732 trlgG= -2.236745 logG= -0.661532 TDE= -4.400325 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038959 tlogG= -0.622649 logG= -0.661609 Density= 3.417165 ETOT(band)= -1.567121 trlgG= -2.237484 logG= -0.661609 TDE= -4.401330 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039307 tlogG= -0.612992 logG= -0.652299 Density= 3.419447 ETOT(band)= -1.557751 trlgG= -2.221268 logG= -0.652299 TDE= -4.396310 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039151 tlogG= -0.617509 logG= -0.656660 Density= 3.418988 ETOT(band)= -1.561770 trlgG= -2.226718 logG= -0.656660 TDE= -4.397020 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038998 tlogG= -0.617832 logG= -0.656830 Density= 3.417830 ETOT(band)= -1.563081 trlgG= -2.227910 logG= -0.656830 TDE= -4.397084 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039063 tlogG= -0.620280 logG= -0.659343 Density= 3.418585 ETOT(band)= -1.564280 trlgG= -2.230358 logG= -0.659343 TDE= -4.397644 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039122 tlogG= -0.620477 logG= -0.659598 Density= 3.419170 ETOT(band)= -1.564089 trlgG= -2.230048 logG= -0.659598 TDE= -4.397561 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 Sum of eigenvalues= -1021.60572525088 eV TrLogG= -1458.00303400994 eV Ratio to renormalize= 0.999617988244 rho-rho_expected= 0.062673870065 nargs= 1 argi=dmft2.def 36) Finished k-point number 37 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 10) Finished k-point number 11 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 9) Finished k-point number 10 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 44) Finished k-point number 45 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800696333333008 0.802622764974463 0.802521053196957 0.800267366840067 0.803155535012891 0.802481723015019 0.800991146071790 0.802486103448982 0.802624364326454 0.800902635300187 0.802687968798597 0.802526505725361 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039110 tlogG= -0.619901 logG= -0.659011 Density= 3.418267 ETOT(band)= -1.564159 trlgG= -2.230874 logG= -0.659011 TDE= -4.398228 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039064 tlogG= -0.622689 logG= -0.661753 Density= 3.418272 ETOT(band)= -1.566408 trlgG= -2.234788 logG= -0.661753 TDE= -4.399404 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.039000 tlogG= -0.626503 logG= -0.665503 Density= 3.416857 ETOT(band)= -1.570107 trlgG= -2.245405 logG= -0.665503 TDE= -4.405102 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038901 tlogG= -0.620956 logG= -0.659857 Density= 3.417379 ETOT(band)= -1.565963 trlgG= -2.232564 logG= -0.659857 TDE= -4.398338 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039049 tlogG= -0.622407 logG= -0.661457 Density= 3.417956 ETOT(band)= -1.566344 trlgG= -2.235281 logG= -0.661457 TDE= -4.399933 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038812 tlogG= -0.627653 logG= -0.666466 Density= 3.416302 ETOT(band)= -1.571623 trlgG= -2.245336 logG= -0.666466 TDE= -4.403611 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038954 tlogG= -0.625213 logG= -0.664167 Density= 3.417064 ETOT(band)= -1.569136 trlgG= -2.241690 logG= -0.664167 TDE= -4.402894 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039091 tlogG= -0.620278 logG= -0.659369 Density= 3.418399 ETOT(band)= -1.564442 trlgG= -2.230759 logG= -0.659369 TDE= -4.397865 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039150 tlogG= -0.616759 logG= -0.655909 Density= 3.418708 ETOT(band)= -1.561443 trlgG= -2.225410 logG= -0.655909 TDE= -4.396231 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038907 tlogG= -0.625658 logG= -0.664565 Density= 3.417025 ETOT(band)= -1.569597 trlgG= -2.241145 logG= -0.664565 TDE= -4.401917 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038959 tlogG= -0.620457 logG= -0.659416 Density= 3.417083 ETOT(band)= -1.565721 trlgG= -2.232351 logG= -0.659416 TDE= -4.398322 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039191 tlogG= -0.620489 logG= -0.659680 Density= 3.419321 ETOT(band)= -1.563926 trlgG= -2.229969 logG= -0.659680 TDE= -4.397526 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039433 tlogG= -0.612860 logG= -0.652293 Density= 3.420087 ETOT(band)= -1.557018 trlgG= -2.220699 logG= -0.652293 TDE= -4.396276 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038925 tlogG= -0.623557 logG= -0.662482 Density= 3.417204 ETOT(band)= -1.567907 trlgG= -2.237451 logG= -0.662482 TDE= -4.400455 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039287 tlogG= -0.613620 logG= -0.652908 Density= 3.419300 ETOT(band)= -1.558409 trlgG= -2.221711 logG= -0.652908 TDE= -4.396022 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039207 tlogG= -0.616247 logG= -0.655454 Density= 3.418818 ETOT(band)= -1.560857 trlgG= -2.225527 logG= -0.655454 TDE= -4.396893 logGD-logG0= -0.038896 tlogG= -0.625343 logG= -0.664240 Density= 3.416639 ETOT(band)= -1.569640 trlgG= -2.242262 logG= -0.664240 TDE= -4.403041 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039027 tlogG= -0.622661 logG= -0.661689 Density= 3.417309 ETOT(band)= -1.566960 trlgG= -2.237408 logG= -0.661689 TDE= -4.401293 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039268 tlogG= -0.615731 logG= -0.654999 Density= 3.418958 ETOT(band)= -1.560247 trlgG= -2.225219 logG= -0.654999 TDE= -4.397156 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039127 tlogG= -0.619485 logG= -0.658612 Density= 3.418167 ETOT(band)= -1.563812 trlgG= -2.230662 logG= -0.658612 TDE= -4.398332 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038958 tlogG= -0.622340 logG= -0.661298 Density= 3.416907 ETOT(band)= -1.567216 trlgG= -2.236759 logG= -0.661298 TDE= -4.400702 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039007 tlogG= -0.624740 logG= -0.663747 Density= 3.417131 ETOT(band)= -1.568622 trlgG= -2.241645 logG= -0.663747 TDE= -4.403324 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039073 tlogG= -0.619647 logG= -0.658720 Density= 3.417658 ETOT(band)= -1.564448 trlgG= -2.231329 logG= -0.658720 TDE= -4.398470 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039361 tlogG= -0.613462 logG= -0.652823 Density= 3.419858 ETOT(band)= -1.557787 trlgG= -2.221136 logG= -0.652823 TDE= -4.395993 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038969 tlogG= -0.620486 logG= -0.659455 Density= 3.417588 ETOT(band)= -1.565307 trlgG= -2.231742 logG= -0.659455 TDE= -4.398091 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039080 tlogG= -0.620086 logG= -0.659166 Density= 3.418199 ETOT(band)= -1.564269 trlgG= -2.230583 logG= -0.659166 TDE= -4.397726 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039219 tlogG= -0.617521 logG= -0.656741 Density= 3.419135 ETOT(band)= -1.561609 trlgG= -2.226639 logG= -0.656741 TDE= -4.396982 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039014 tlogG= -0.618222 logG= -0.657236 Density= 3.417967 ETOT(band)= -1.563287 trlgG= -2.227636 logG= -0.657236 TDE= -4.396518 logGD-logG0= -0.038975 tlogG= -0.623118 logG= -0.662093 Density= 3.417236 ETOT(band)= -1.567456 trlgG= -2.237496 logG= -0.662093 TDE= -4.400916 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038975 tlogG= -0.624843 logG= -0.663818 Density= 3.416820 ETOT(band)= -1.569028 trlgG= -2.242107 logG= -0.663818 TDE= -4.403458 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038820 tlogG= -0.625805 logG= -0.664625 Density= 3.416475 ETOT(band)= -1.570194 trlgG= -2.241840 logG= -0.664625 TDE= -4.402099 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039201 tlogG= -0.614208 logG= -0.653409 Density= 3.419013 ETOT(band)= -1.559190 trlgG= -2.221521 logG= -0.653409 TDE= -4.395095 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039223 tlogG= -0.617876 logG= -0.657098 Density= 3.419377 ETOT(band)= -1.561807 trlgG= -2.226218 logG= -0.657098 TDE= -4.396403 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039021 tlogG= -0.620087 logG= -0.659108 Density= 3.417615 ETOT(band)= -1.564906 trlgG= -2.231728 logG= -0.659108 TDE= -4.398446 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039475 tlogG= -0.610500 logG= -0.649975 Density= 3.420489 ETOT(band)= -1.554899 trlgG= -2.216702 logG= -0.649975 TDE= -4.394930 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039221 tlogG= -0.617149 logG= -0.656370 Density= 3.418917 ETOT(band)= -1.561373 trlgG= -2.226734 logG= -0.656370 TDE= -4.397266 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039132 tlogG= -0.620292 logG= -0.659424 Density= 3.418734 ETOT(band)= -1.564118 trlgG= -2.230280 logG= -0.659424 TDE= -4.397607 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039039 tlogG= -0.622082 logG= -0.661121 Density= 3.417678 ETOT(band)= -1.566209 trlgG= -2.235592 logG= -0.661121 TDE= -4.400349 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038904 tlogG= -0.627097 logG= -0.666001 Density= 3.416562 ETOT(band)= -1.570898 trlgG= -2.245764 logG= -0.666001 TDE= -4.404718 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039375 tlogG= -0.613004 logG= -0.652379 Density= 3.419585 ETOT(band)= -1.557595 trlgG= -2.221195 logG= -0.652379 TDE= -4.396271 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039066 tlogG= -0.617844 logG= -0.656910 Density= 3.417977 ETOT(band)= -1.562918 trlgG= -2.227831 logG= -0.656910 TDE= -4.397045 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039355 tlogG= -0.611218 logG= -0.650572 Density= 3.419972 ETOT(band)= -1.555974 trlgG= -2.216701 logG= -0.650572 TDE= -4.393904 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039292 tlogG= -0.614047 logG= -0.653339 Density= 3.419651 ETOT(band)= -1.558524 trlgG= -2.220883 logG= -0.653339 TDE= -4.395053 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039116 tlogG= -0.617437 logG= -0.656554 Density= 3.417991 ETOT(band)= -1.562518 trlgG= -2.227717 logG= -0.656554 TDE= -4.397300 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038926 tlogG= -0.620712 logG= -0.659638 Density= 3.417226 ETOT(band)= -1.565851 trlgG= -2.232387 logG= -0.659638 TDE= -4.398253 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039595 tlogG= -0.609708 logG= -0.649303 Density= 3.421029 ETOT(band)= -1.553724 trlgG= -2.215785 logG= -0.649303 TDE= -4.395131 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038855 tlogG= -0.623031 logG= -0.661886 Density= 3.416905 ETOT(band)= -1.567858 trlgG= -2.236567 logG= -0.661886 TDE= -4.399920 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038903 tlogG= -0.622709 logG= -0.661612 Density= 3.416900 ETOT(band)= -1.567567 trlgG= -2.236665 logG= -0.661612 TDE= -4.400288 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 Sum of eigenvalues= -1021.49996978406 eV TrLogG= -1458.03131685311 eV Ratio to renormalize= 0.999575114113 rho-rho_expected= 0.069710904695 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 4) Finished k-point number 5 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 12) Finished k-point number 13 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 23) Finished k-point number 24 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 43) Finished k-point number 44 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800643042316767 0.802562892547781 0.802473644202507 0.800213708414969 0.803096262329760 0.802434433665977 0.800937951645935 0.802426322493036 0.802576954686437 0.800849680008992 0.802628234715042 0.802479042009546 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038987 tlogG= -0.626508 logG= -0.665495 Density= 3.416815 ETOT(band)= -1.570006 trlgG= -2.245295 logG= -0.665495 TDE= -4.404965 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039188 tlogG= -0.614210 logG= -0.653399 Density= 3.418970 ETOT(band)= -1.559089 trlgG= -2.221402 logG= -0.653399 TDE= -4.394949 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039138 tlogG= -0.616762 logG= -0.655900 Density= 3.418665 ETOT(band)= -1.561342 trlgG= -2.225292 logG= -0.655900 TDE= -4.396087 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039001 tlogG= -0.618225 logG= -0.657226 Density= 3.417925 ETOT(band)= -1.563185 trlgG= -2.227521 logG= -0.657226 TDE= -4.396378 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038946 tlogG= -0.620460 logG= -0.659406 Density= 3.417041 ETOT(band)= -1.565619 trlgG= -2.232243 logG= -0.659406 TDE= -4.398189 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039079 tlogG= -0.620280 logG= -0.659359 Density= 3.418357 ETOT(band)= -1.564340 trlgG= -2.230648 logG= -0.659359 TDE= -4.397729 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038884 tlogG= -0.625347 logG= -0.664231 Density= 3.416597 ETOT(band)= -1.569539 trlgG= -2.242150 logG= -0.664231 TDE= -4.402904 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038912 tlogG= -0.623561 logG= -0.662473 Density= 3.417162 ETOT(band)= -1.567805 trlgG= -2.237344 logG= -0.662473 TDE= -4.400322 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039279 tlogG= -0.614050 logG= -0.653329 Density= 3.419607 ETOT(band)= -1.558423 trlgG= -2.220763 logG= -0.653329 TDE= -4.394907 logGD-logG0= -0.038800 tlogG= -0.627657 logG= -0.666457 Density= 3.416260 ETOT(band)= -1.571522 trlgG= -2.245226 logG= -0.666457 TDE= -4.403475 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039275 tlogG= -0.613624 logG= -0.652898 Density= 3.419256 ETOT(band)= -1.558308 trlgG= -2.221589 logG= -0.652898 TDE= -4.395874 logGD-logG0= -0.038895 tlogG= -0.625662 logG= -0.664556 Density= 3.416984 ETOT(band)= -1.569495 trlgG= -2.241036 logG= -0.664556 TDE= -4.401784 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.039342 tlogG= -0.611221 logG= -0.650563 Density= 3.419927 ETOT(band)= -1.555874 trlgG= -2.216581 logG= -0.650563 TDE= -4.393756 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038914 tlogG= -0.620714 logG= -0.659628 Density= 3.417184 ETOT(band)= -1.565748 trlgG= -2.232278 logG= -0.659628 TDE= -4.398120 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039097 tlogG= -0.619904 logG= -0.659002 Density= 3.418225 ETOT(band)= -1.564058 trlgG= -2.230761 logG= -0.659002 TDE= -4.398090 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.039194 tlogG= -0.616250 logG= -0.655445 Density= 3.418774 ETOT(band)= -1.560756 trlgG= -2.225405 logG= -0.655445 TDE= -4.396745 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039119 tlogG= -0.620295 logG= -0.659414 Density= 3.418693 ETOT(band)= -1.564015 trlgG= -2.230171 logG= -0.659414 TDE= -4.397474 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038994 tlogG= -0.624744 logG= -0.663738 Density= 3.417089 ETOT(band)= -1.568521 trlgG= -2.241534 logG= -0.663738 TDE= -4.403187 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039462 tlogG= -0.610503 logG= -0.649966 Density= 3.420444 ETOT(band)= -1.554799 trlgG= -2.216582 logG= -0.649966 TDE= -4.394781 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038962 tlogG= -0.624847 logG= -0.663809 Density= 3.416778 ETOT(band)= -1.568928 trlgG= -2.241996 logG= -0.663809 TDE= -4.403321 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038843 tlogG= -0.623034 logG= -0.661876 Density= 3.416864 ETOT(band)= -1.567756 trlgG= -2.236462 logG= -0.661876 TDE= -4.399790 logGD-logG0= -0.038945 tlogG= -0.622343 logG= -0.661289 Density= 3.416866 ETOT(band)= -1.567115 trlgG= -2.236647 logG= -0.661289 TDE= -4.400565 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039256 tlogG= -0.615734 logG= -0.654990 Density= 3.418915 ETOT(band)= -1.560146 trlgG= -2.225097 logG= -0.654990 TDE= -4.397008 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039061 tlogG= -0.619650 logG= -0.658711 Density= 3.417615 ETOT(band)= -1.564347 trlgG= -2.231219 logG= -0.658711 TDE= -4.398335 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038891 tlogG= -0.627101 logG= -0.665993 Density= 3.416520 ETOT(band)= -1.570797 trlgG= -2.245654 logG= -0.665993 TDE= -4.404581 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039209 tlogG= -0.617152 logG= -0.656361 Density= 3.418874 ETOT(band)= -1.561272 trlgG= -2.226617 logG= -0.656361 TDE= -4.397123 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=118 logGD-logG0= -0.038889 tlogG= -0.620958 logG= -0.659847 Density= 3.417338 ETOT(band)= -1.565860 trlgG= -2.232459 logG= -0.659847 TDE= -4.398209 logGD-logG0= -0.039207 tlogG= -0.617524 logG= -0.656731 Density= 3.419093 ETOT(band)= -1.561507 trlgG= -2.226521 logG= -0.656731 TDE= -4.396838 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039420 tlogG= -0.612863 logG= -0.652283 Density= 3.420042 ETOT(band)= -1.556918 trlgG= -2.220578 logG= -0.652283 TDE= -4.396127 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039582 tlogG= -0.609711 logG= -0.649294 Density= 3.420983 ETOT(band)= -1.553625 trlgG= -2.215665 logG= -0.649294 TDE= -4.394983 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039037 tlogG= -0.622410 logG= -0.661447 Density= 3.417914 ETOT(band)= -1.566242 trlgG= -2.235169 logG= -0.661447 TDE= -4.399796 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039114 tlogG= -0.619489 logG= -0.658603 Density= 3.418124 ETOT(band)= -1.563711 trlgG= -2.230548 logG= -0.658603 TDE= -4.398192 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038956 tlogG= -0.620489 logG= -0.659445 Density= 3.417546 ETOT(band)= -1.565205 trlgG= -2.231633 logG= -0.659445 TDE= -4.397957 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038808 tlogG= -0.625808 logG= -0.664616 Density= 3.416433 ETOT(band)= -1.570092 trlgG= -2.241733 logG= -0.664616 TDE= -4.401966 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038942 tlogG= -0.625216 logG= -0.664158 Density= 3.417022 ETOT(band)= -1.569034 trlgG= -2.241579 logG= -0.664158 TDE= -4.402757 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039104 tlogG= -0.617440 logG= -0.656544 Density= 3.417948 ETOT(band)= -1.562417 trlgG= -2.227598 logG= -0.656544 TDE= -4.397155 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039015 tlogG= -0.622665 logG= -0.661680 Density= 3.417267 ETOT(band)= -1.566859 trlgG= -2.237298 logG= -0.661680 TDE= -4.401156 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039009 tlogG= -0.620090 logG= -0.659099 Density= 3.417573 ETOT(band)= -1.564805 trlgG= -2.231619 logG= -0.659099 TDE= -4.398311 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039051 tlogG= -0.622692 logG= -0.661743 Density= 3.418231 ETOT(band)= -1.566305 trlgG= -2.234681 logG= -0.661743 TDE= -4.399272 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039179 tlogG= -0.620491 logG= -0.659670 Density= 3.419280 ETOT(band)= -1.563823 trlgG= -2.229863 logG= -0.659670 TDE= -4.397396 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039054 tlogG= -0.617847 logG= -0.656901 Density= 3.417934 ETOT(band)= -1.562817 trlgG= -2.227712 logG= -0.656901 TDE= -4.396901 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039067 tlogG= -0.620089 logG= -0.659156 Density= 3.418157 ETOT(band)= -1.564167 trlgG= -2.230473 logG= -0.659156 TDE= -4.397591 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039362 tlogG= -0.613008 logG= -0.652370 Density= 3.419541 ETOT(band)= -1.557495 trlgG= -2.221074 logG= -0.652370 TDE= -4.396123 logGD-logG0= -0.039349 tlogG= -0.613465 logG= -0.652813 Density= 3.419814 ETOT(band)= -1.557687 trlgG= -2.221014 logG= -0.652813 TDE= -4.395845 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038891 tlogG= -0.622712 logG= -0.661603 Density= 3.416859 ETOT(band)= -1.567465 trlgG= -2.236554 logG= -0.661603 TDE= -4.400152 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039027 tlogG= -0.622086 logG= -0.661112 Density= 3.417636 ETOT(band)= -1.566107 trlgG= -2.235480 logG= -0.661112 TDE= -4.400212 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038962 tlogG= -0.623121 logG= -0.662084 Density= 3.417194 ETOT(band)= -1.567354 trlgG= -2.237386 logG= -0.662084 TDE= -4.400780 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039210 tlogG= -0.617878 logG= -0.657088 Density= 3.419335 ETOT(band)= -1.561705 trlgG= -2.226103 logG= -0.657088 TDE= -4.396263 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 Sum of eigenvalues= -1021.43380100999 eV TrLogG= -1457.93434064070 eV Ratio to renormalize= 0.999587548407 rho-rho_expected= 0.067669971880 nargs= 1 argi=dmft2.def 30) Finished k-point number 31 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 15) Finished k-point number 16 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 9) Finished k-point number 10 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800575579295953 0.802490067561123 0.802416970662847 0.800146337888571 0.803023027318541 0.802378537932605 0.800870935521415 0.802353295955347 0.802520297700177 0.800783134566292 0.802555104631502 0.802422350816317 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039333 tlogG= -0.613462 logG= -0.652795 Density= 3.419758 ETOT(band)= -1.557545 trlgG= -2.220838 logG= -0.652795 TDE= -4.395642 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038875 tlogG= -0.627100 logG= -0.665975 Density= 3.416466 ETOT(band)= -1.570655 trlgG= -2.245492 logG= -0.665975 TDE= -4.404393 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038940 tlogG= -0.620486 logG= -0.659427 Density= 3.417492 ETOT(band)= -1.565061 trlgG= -2.231475 logG= -0.659427 TDE= -4.397773 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038931 tlogG= -0.620457 logG= -0.659388 Density= 3.416988 ETOT(band)= -1.565476 trlgG= -2.232086 logG= -0.659388 TDE= -4.398006 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038993 tlogG= -0.620088 logG= -0.659081 Density= 3.417519 ETOT(band)= -1.564662 trlgG= -2.231460 logG= -0.659081 TDE= -4.398126 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039259 tlogG= -0.613621 logG= -0.652880 Density= 3.419200 ETOT(band)= -1.558167 trlgG= -2.221413 logG= -0.652880 TDE= -4.395670 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038971 tlogG= -0.626507 logG= -0.665478 Density= 3.416761 ETOT(band)= -1.569865 trlgG= -2.245135 logG= -0.665478 TDE= -4.404777 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038930 tlogG= -0.622341 logG= -0.661271 Density= 3.416812 ETOT(band)= -1.566972 trlgG= -2.236485 logG= -0.661271 TDE= -4.400376 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039103 tlogG= -0.620291 logG= -0.659395 Density= 3.418640 ETOT(band)= -1.563871 trlgG= -2.230013 logG= -0.659395 TDE= -4.397291 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038879 tlogG= -0.625659 logG= -0.664539 Density= 3.416931 ETOT(band)= -1.569352 trlgG= -2.240878 logG= -0.664539 TDE= -4.401600 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038784 tlogG= -0.627656 logG= -0.666440 Density= 3.416207 ETOT(band)= -1.571379 trlgG= -2.245065 logG= -0.666440 TDE= -4.403288 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.039045 tlogG= -0.619648 logG= -0.658693 Density= 3.417561 ETOT(band)= -1.564205 trlgG= -2.231060 logG= -0.658693 TDE= -4.398148 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039036 tlogG= -0.622689 logG= -0.661725 Density= 3.418179 ETOT(band)= -1.566161 trlgG= -2.234524 logG= -0.661725 TDE= -4.399091 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039021 tlogG= -0.622408 logG= -0.661429 Density= 3.417862 ETOT(band)= -1.566098 trlgG= -2.235006 logG= -0.661429 TDE= -4.399607 logGD-logG0= -0.039172 tlogG= -0.614208 logG= -0.653380 Density= 3.418914 ETOT(band)= -1.558948 trlgG= -2.221231 logG= -0.653380 TDE= -4.394751 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038897 tlogG= -0.623558 logG= -0.662455 Density= 3.417109 ETOT(band)= -1.567662 trlgG= -2.237187 logG= -0.662455 TDE= -4.400140 logGD-logG0= -0.039063 tlogG= -0.620278 logG= -0.659341 Density= 3.418304 ETOT(band)= -1.564196 trlgG= -2.230487 logG= -0.659341 TDE= -4.397542 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038985 tlogG= -0.618222 logG= -0.657207 Density= 3.417872 ETOT(band)= -1.563042 trlgG= -2.227355 logG= -0.657207 TDE= -4.396186 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039178 tlogG= -0.616248 logG= -0.655427 Density= 3.418720 ETOT(band)= -1.560614 trlgG= -2.225229 logG= -0.655427 TDE= -4.396542 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039122 tlogG= -0.616759 logG= -0.655881 Density= 3.418611 ETOT(band)= -1.561200 trlgG= -2.225122 logG= -0.655881 TDE= -4.395891 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039082 tlogG= -0.619902 logG= -0.658983 Density= 3.418171 ETOT(band)= -1.563915 trlgG= -2.230599 logG= -0.658983 TDE= -4.397901 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038946 tlogG= -0.624846 logG= -0.663792 Density= 3.416725 ETOT(band)= -1.568785 trlgG= -2.241834 logG= -0.663792 TDE= -4.403132 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039193 tlogG= -0.617149 logG= -0.656342 Density= 3.418819 ETOT(band)= -1.561130 trlgG= -2.226446 logG= -0.656342 TDE= -4.396926 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039163 tlogG= -0.620488 logG= -0.659651 Density= 3.419228 ETOT(band)= -1.563678 trlgG= -2.229709 logG= -0.659651 TDE= -4.397218 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038947 tlogG= -0.623119 logG= -0.662066 Density= 3.417141 ETOT(band)= -1.567212 trlgG= -2.237225 logG= -0.662066 TDE= -4.400593 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039088 tlogG= -0.617438 logG= -0.656526 Density= 3.417894 ETOT(band)= -1.562274 trlgG= -2.227426 logG= -0.656526 TDE= -4.396956 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038873 tlogG= -0.620955 logG= -0.659828 Density= 3.417285 ETOT(band)= -1.565716 trlgG= -2.232306 logG= -0.659828 TDE= -4.398032 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039098 tlogG= -0.619487 logG= -0.658585 Density= 3.418070 ETOT(band)= -1.563568 trlgG= -2.230383 logG= -0.658585 TDE= -4.398000 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038898 tlogG= -0.620712 logG= -0.659610 Density= 3.417131 ETOT(band)= -1.565605 trlgG= -2.232121 logG= -0.659610 TDE= -4.397937 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039038 tlogG= -0.617844 logG= -0.656882 Density= 3.417880 ETOT(band)= -1.562674 trlgG= -2.227541 logG= -0.656882 TDE= -4.396704 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038979 tlogG= -0.624742 logG= -0.663721 Density= 3.417035 ETOT(band)= -1.568379 trlgG= -2.241372 logG= -0.663721 TDE= -4.402998 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039566 tlogG= -0.609710 logG= -0.649276 Density= 3.420925 ETOT(band)= -1.553485 trlgG= -2.215493 logG= -0.649276 TDE= -4.394780 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039346 tlogG= -0.613006 logG= -0.652352 Density= 3.419485 ETOT(band)= -1.557354 trlgG= -2.220900 logG= -0.652352 TDE= -4.395920 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039404 tlogG= -0.612861 logG= -0.652265 Density= 3.419986 ETOT(band)= -1.556777 trlgG= -2.220404 logG= -0.652265 TDE= -4.395924 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039263 tlogG= -0.614047 logG= -0.653311 Density= 3.419552 ETOT(band)= -1.558281 trlgG= -2.220591 logG= -0.653311 TDE= -4.394708 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039446 tlogG= -0.610501 logG= -0.649947 Density= 3.420386 ETOT(band)= -1.554660 trlgG= -2.216408 logG= -0.649947 TDE= -4.394578 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039240 tlogG= -0.615732 logG= -0.654972 Density= 3.418859 ETOT(band)= -1.560005 trlgG= -2.224923 logG= -0.654972 TDE= -4.396806 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038999 tlogG= -0.622663 logG= -0.661662 Density= 3.417213 ETOT(band)= -1.566717 trlgG= -2.237136 logG= -0.661662 TDE= -4.400967 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038868 tlogG= -0.625345 logG= -0.664213 Density= 3.416544 ETOT(band)= -1.569396 trlgG= -2.241988 logG= -0.664213 TDE= -4.402715 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039326 tlogG= -0.611218 logG= -0.650544 Density= 3.419870 ETOT(band)= -1.555733 trlgG= -2.216407 logG= -0.650544 TDE= -4.393553 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039191 tlogG= -0.617521 logG= -0.656712 Density= 3.419039 ETOT(band)= -1.561364 trlgG= -2.226351 logG= -0.656712 TDE= -4.396642 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038875 tlogG= -0.622709 logG= -0.661585 Density= 3.416806 ETOT(band)= -1.567322 trlgG= -2.236393 logG= -0.661585 TDE= -4.399965 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038926 tlogG= -0.625214 logG= -0.664140 Density= 3.416969 ETOT(band)= -1.568892 trlgG= -2.241417 logG= -0.664140 TDE= -4.402568 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039011 tlogG= -0.622083 logG= -0.661094 Density= 3.417583 ETOT(band)= -1.565964 trlgG= -2.235317 logG= -0.661094 TDE= -4.400023 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038827 tlogG= -0.623031 logG= -0.661858 Density= 3.416811 ETOT(band)= -1.567612 trlgG= -2.236309 logG= -0.661858 TDE= -4.399612 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038792 tlogG= -0.625806 logG= -0.664598 Density= 3.416380 ETOT(band)= -1.569949 trlgG= -2.241576 logG= -0.664598 TDE= -4.401784 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039194 tlogG= -0.617875 logG= -0.657069 Density= 3.419282 ETOT(band)= -1.561561 trlgG= -2.225937 logG= -0.657069 TDE= -4.396072 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039052 tlogG= -0.620086 logG= -0.659138 Density= 3.418104 ETOT(band)= -1.564023 trlgG= -2.230313 logG= -0.659138 TDE= -4.397406 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1021.34068611754 eV TrLogG= -1457.79786628606 eV Ratio to renormalize= 0.999603323599 rho-rho_expected= 0.065080745744 nargs= 1 argi=dmft2.def 11) Finished k-point number 12 1 with #bands= 107 19) Finished k-point number 20 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 25) Finished k-point number 26 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 16) Finished k-point number 17 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 35) Finished k-point number 36 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 10) Finished k-point number 11 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800596731582933 0.802513249213252 0.802431303206422 0.800167489114798 0.803045958624084 0.802393045107303 0.800891931021393 0.802376503573577 0.802534748218955 0.800803833221841 0.802578433748278 0.802436750966538 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038790 tlogG= -0.627691 logG= -0.666481 Density= 3.416227 ETOT(band)= -1.571427 trlgG= -2.245153 logG= -0.666481 TDE= -4.403350 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.038903 tlogG= -0.623593 logG= -0.662496 Density= 3.417128 ETOT(band)= -1.567710 trlgG= -2.237274 logG= -0.662496 TDE= -4.400201 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039128 tlogG= -0.616794 logG= -0.655923 Density= 3.418631 ETOT(band)= -1.561247 trlgG= -2.225213 logG= -0.655923 TDE= -4.395957 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039051 tlogG= -0.619683 logG= -0.658734 Density= 3.417581 ETOT(band)= -1.564252 trlgG= -2.231147 logG= -0.658734 TDE= -4.398211 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039028 tlogG= -0.622443 logG= -0.661470 Density= 3.417881 ETOT(band)= -1.566147 trlgG= -2.235095 logG= -0.661470 TDE= -4.399670 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038978 tlogG= -0.626542 logG= -0.665519 Density= 3.416781 ETOT(band)= -1.569912 trlgG= -2.245223 logG= -0.665519 TDE= -4.404840 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038879 tlogG= -0.620990 logG= -0.659870 Density= 3.417304 ETOT(band)= -1.565764 trlgG= -2.232392 logG= -0.659870 TDE= -4.398091 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039201 tlogG= -0.617910 logG= -0.657111 Density= 3.419301 ETOT(band)= -1.561609 trlgG= -2.226027 logG= -0.657111 TDE= -4.396136 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039265 tlogG= -0.613656 logG= -0.652921 Density= 3.419221 ETOT(band)= -1.558214 trlgG= -2.221507 logG= -0.652921 TDE= -4.395739 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038992 tlogG= -0.618257 logG= -0.657249 Density= 3.417891 ETOT(band)= -1.563090 trlgG= -2.227445 logG= -0.657249 TDE= -4.396250 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039339 tlogG= -0.613497 logG= -0.652836 Density= 3.419778 ETOT(band)= -1.557593 trlgG= -2.220932 logG= -0.652836 TDE= -4.395710 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038947 tlogG= -0.620521 logG= -0.659468 Density= 3.417512 ETOT(band)= -1.565109 trlgG= -2.231562 logG= -0.659468 TDE= -4.397834 logGD-logG0= -0.038953 tlogG= -0.624880 logG= -0.663833 Density= 3.416744 ETOT(band)= -1.568833 trlgG= -2.241923 logG= -0.663833 TDE= -4.403195 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038936 tlogG= -0.622376 logG= -0.661312 Density= 3.416832 ETOT(band)= -1.567020 trlgG= -2.236573 logG= -0.661312 TDE= -4.400439 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038882 tlogG= -0.622744 logG= -0.661626 Density= 3.416825 ETOT(band)= -1.567370 trlgG= -2.236481 logG= -0.661626 TDE= -4.400027 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039185 tlogG= -0.616283 logG= -0.655468 Density= 3.418739 ETOT(band)= -1.560661 trlgG= -2.225323 logG= -0.655468 TDE= -4.396611 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039045 tlogG= -0.617879 logG= -0.656924 Density= 3.417900 ETOT(band)= -1.562721 trlgG= -2.227632 logG= -0.656924 TDE= -4.396770 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038937 tlogG= -0.620492 logG= -0.659429 Density= 3.417008 ETOT(band)= -1.565523 trlgG= -2.232172 logG= -0.659429 TDE= -4.398067 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039179 tlogG= -0.614243 logG= -0.653422 Density= 3.418935 ETOT(band)= -1.558995 trlgG= -2.221322 logG= -0.653422 TDE= -4.394818 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039573 tlogG= -0.609744 logG= -0.649317 Density= 3.420946 ETOT(band)= -1.553532 trlgG= -2.215586 logG= -0.649317 TDE= -4.394849 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039110 tlogG= -0.620327 logG= -0.659437 Density= 3.418659 ETOT(band)= -1.563920 trlgG= -2.230100 logG= -0.659437 TDE= -4.397352 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039088 tlogG= -0.619937 logG= -0.659025 Density= 3.418191 ETOT(band)= -1.563962 trlgG= -2.230688 logG= -0.659025 TDE= -4.397965 logGD-logG0= -0.039246 tlogG= -0.615767 logG= -0.655013 Density= 3.418879 ETOT(band)= -1.560052 trlgG= -2.225016 logG= -0.655013 TDE= -4.396874 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039453 tlogG= -0.610536 logG= -0.649989 Density= 3.420407 ETOT(band)= -1.554706 trlgG= -2.216501 logG= -0.649989 TDE= -4.394647 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039332 tlogG= -0.611253 logG= -0.650586 Density= 3.419891 ETOT(band)= -1.555781 trlgG= -2.216500 logG= -0.650586 TDE= -4.393622 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039042 tlogG= -0.622724 logG= -0.661766 Density= 3.418197 ETOT(band)= -1.566209 trlgG= -2.234611 logG= -0.661766 TDE= -4.399152 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.038882 tlogG= -0.627135 logG= -0.666017 Density= 3.416486 ETOT(band)= -1.570702 trlgG= -2.245581 logG= -0.666017 TDE= -4.404456 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039005 tlogG= -0.622698 logG= -0.661704 Density= 3.417233 ETOT(band)= -1.566765 trlgG= -2.237224 logG= -0.661704 TDE= -4.401031 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.039199 tlogG= -0.617184 logG= -0.656384 Density= 3.418839 ETOT(band)= -1.561177 trlgG= -2.226538 logG= -0.656384 TDE= -4.396992 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039353 tlogG= -0.613040 logG= -0.652393 Density= 3.419505 ETOT(band)= -1.557401 trlgG= -2.220993 logG= -0.652393 TDE= -4.395989 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039105 tlogG= -0.619521 logG= -0.658627 Density= 3.418089 ETOT(band)= -1.563616 trlgG= -2.230473 logG= -0.658627 TDE= -4.398065 logGD-logG0= -0.038985 tlogG= -0.624777 logG= -0.663762 Density= 3.417055 ETOT(band)= -1.568427 trlgG= -2.241461 logG= -0.663762 TDE= -4.403061 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038905 tlogG= -0.620747 logG= -0.659651 Density= 3.417151 ETOT(band)= -1.565653 trlgG= -2.232208 logG= -0.659651 TDE= -4.397999 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038886 tlogG= -0.625695 logG= -0.664580 Density= 3.416950 ETOT(band)= -1.569400 trlgG= -2.240966 logG= -0.664580 TDE= -4.401662 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038875 tlogG= -0.625380 logG= -0.664255 Density= 3.416563 ETOT(band)= -1.569444 trlgG= -2.242077 logG= -0.664255 TDE= -4.402778 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039017 tlogG= -0.622118 logG= -0.661136 Density= 3.417602 ETOT(band)= -1.566012 trlgG= -2.235406 logG= -0.661136 TDE= -4.400086 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038932 tlogG= -0.625250 logG= -0.664182 Density= 3.416988 ETOT(band)= -1.568939 trlgG= -2.241505 logG= -0.664182 TDE= -4.402631 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039069 tlogG= -0.620313 logG= -0.659382 Density= 3.418323 ETOT(band)= -1.564244 trlgG= -2.230575 logG= -0.659382 TDE= -4.397605 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039095 tlogG= -0.617473 logG= -0.656567 Density= 3.417914 ETOT(band)= -1.562322 trlgG= -2.227517 logG= -0.656567 TDE= -4.397023 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039198 tlogG= -0.617556 logG= -0.656754 Density= 3.419058 ETOT(band)= -1.561412 trlgG= -2.226442 logG= -0.656754 TDE= -4.396708 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039058 tlogG= -0.620121 logG= -0.659179 Density= 3.418123 ETOT(band)= -1.564071 trlgG= -2.230401 logG= -0.659179 TDE= -4.397467 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039411 tlogG= -0.612896 logG= -0.652307 Density= 3.420006 ETOT(band)= -1.556824 trlgG= -2.220497 logG= -0.652307 TDE= -4.395993 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038833 tlogG= -0.623066 logG= -0.661899 Density= 3.416830 ETOT(band)= -1.567660 trlgG= -2.236394 logG= -0.661899 TDE= -4.399672 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038953 tlogG= -0.623154 logG= -0.662107 logGD-logG0= -0.038798 tlogG= -0.625841 logG= -0.664640 Density= 3.416400 ETOT(band)= -1.569997 trlgG= -2.241663 logG= -0.664640 TDE= -4.401845 Density= 3.417160 ETOT(band)= -1.567259 trlgG= -2.237313 logG= -0.662107 TDE= -4.400656 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038999 tlogG= -0.620123 logG= -0.659122 Density= 3.417539 ETOT(band)= -1.564710 trlgG= -2.231547 logG= -0.659122 TDE= -4.398188 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039170 tlogG= -0.620523 logG= -0.659693 Density= 3.419246 ETOT(band)= -1.563727 trlgG= -2.229795 logG= -0.659693 TDE= -4.397278 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039270 tlogG= -0.614082 logG= -0.653352 Density= 3.419572 ETOT(band)= -1.558329 trlgG= -2.220683 logG= -0.653352 TDE= -4.394775 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Sum of eigenvalues= -1021.37183148278 eV TrLogG= -1457.86681101792 eV Ratio to renormalize= 0.999597594654 rho-rho_expected= 0.066021043977 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 37) Finished k-point number 38 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 19) Finished k-point number 20 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 9) Finished k-point number 10 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 39) Finished k-point number 40 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800627118239725 0.802552518415686 0.802464307084505 0.800197841008256 0.803085349062923 0.802425616311439 0.800922118131220 0.802415807795693 0.802567711879793 0.800833744351913 0.802617791609014 0.802469768930570 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038911 tlogG= -0.623585 logG= -0.662496 Density= 3.417153 ETOT(band)= -1.567760 trlgG= -2.237321 logG= -0.662496 TDE= -4.400270 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039096 tlogG= -0.619928 logG= -0.659024 Density= 3.418216 ETOT(band)= -1.564013 trlgG= -2.230738 logG= -0.659024 TDE= -4.398037 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039077 tlogG= -0.620305 logG= -0.659382 Density= 3.418349 ETOT(band)= -1.564295 trlgG= -2.230625 logG= -0.659382 TDE= -4.397676 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038944 tlogG= -0.622368 logG= -0.661311 Density= 3.416857 ETOT(band)= -1.567070 trlgG= -2.236624 logG= -0.661311 TDE= -4.400512 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038798 tlogG= -0.627682 logG= -0.666480 Density= 3.416252 ETOT(band)= -1.571477 trlgG= -2.245203 logG= -0.666480 TDE= -4.403422 logGD-logG0= -0.039118 tlogG= -0.620319 logG= -0.659436 Density= 3.418684 ETOT(band)= -1.563971 trlgG= -2.230149 logG= -0.659436 TDE= -4.397422 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038945 tlogG= -0.620484 logG= -0.659429 Density= 3.417033 ETOT(band)= -1.565574 trlgG= -2.232221 logG= -0.659429 TDE= -4.398137 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039035 tlogG= -0.622434 logG= -0.661470 Density= 3.417906 ETOT(band)= -1.566198 trlgG= -2.235145 logG= -0.661470 TDE= -4.399742 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038954 tlogG= -0.620513 logG= -0.659467 Density= 3.417537 ETOT(band)= -1.565160 trlgG= -2.231611 logG= -0.659467 TDE= -4.397905 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.039102 tlogG= -0.617465 logG= -0.656567 Density= 3.417939 ETOT(band)= -1.562372 trlgG= -2.227573 logG= -0.656567 TDE= -4.397100 logGD-logG0= -0.038887 tlogG= -0.620982 logG= -0.659869 Density= 3.417329 ETOT(band)= -1.565815 trlgG= -2.232438 logG= -0.659869 TDE= -4.398159 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039187 tlogG= -0.614234 logG= -0.653421 Density= 3.418961 ETOT(band)= -1.559045 trlgG= -2.221377 logG= -0.653421 TDE= -4.394895 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038961 tlogG= -0.624871 logG= -0.663832 Density= 3.416770 ETOT(band)= -1.568883 trlgG= -2.241973 logG= -0.663832 TDE= -4.403268 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039347 tlogG= -0.613489 logG= -0.652836 Density= 3.419805 ETOT(band)= -1.557642 trlgG= -2.220989 logG= -0.652836 TDE= -4.395790 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038999 tlogG= -0.618249 logG= -0.657248 Density= 3.417917 ETOT(band)= -1.563140 trlgG= -2.227497 logG= -0.657248 TDE= -4.396324 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038893 tlogG= -0.625686 logG= -0.664579 Density= 3.416975 ETOT(band)= -1.569450 trlgG= -2.241014 logG= -0.664579 TDE= -4.401732 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038889 tlogG= -0.627126 logG= -0.666015 Density= 3.416511 ETOT(band)= -1.570752 trlgG= -2.245630 logG= -0.666015 TDE= -4.404528 logGD-logG0= -0.039136 tlogG= -0.616786 logG= -0.655922 Density= 3.418657 ETOT(band)= -1.561297 trlgG= -2.225268 logG= -0.655922 TDE= -4.396033 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038993 tlogG= -0.624768 logG= -0.663761 Density= 3.417080 ETOT(band)= -1.568477 trlgG= -2.241511 logG= -0.663761 TDE= -4.403134 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039418 tlogG= -0.612888 logG= -0.652306 Density= 3.420033 ETOT(band)= -1.556874 trlgG= -2.220554 logG= -0.652306 TDE= -4.396073 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039193 tlogG= -0.616274 logG= -0.655467 Density= 3.418766 ETOT(band)= -1.560711 trlgG= -2.225380 logG= -0.655467 TDE= -4.396690 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039059 tlogG= -0.619674 logG= -0.658733 Density= 3.417607 ETOT(band)= -1.564302 trlgG= -2.231196 logG= -0.658733 TDE= -4.398282 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038889 tlogG= -0.622736 logG= -0.661625 Density= 3.416850 ETOT(band)= -1.567420 trlgG= -2.236531 logG= -0.661625 TDE= -4.400099 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038882 tlogG= -0.625371 logG= -0.664254 Density= 3.416589 ETOT(band)= -1.569494 trlgG= -2.242127 logG= -0.664254 TDE= -4.402851 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038806 tlogG= -0.625833 logG= -0.664639 Density= 3.416425 ETOT(band)= -1.570047 trlgG= -2.241710 logG= -0.664639 TDE= -4.401914 logGD-logG0= -0.039273 tlogG= -0.613648 logG= -0.652921 Density= 3.419248 ETOT(band)= -1.558264 trlgG= -2.221564 logG= -0.652921 TDE= -4.395819 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039066 tlogG= -0.620113 logG= -0.659179 Density= 3.418148 ETOT(band)= -1.564122 trlgG= -2.230450 logG= -0.659179 TDE= -4.397538 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039207 tlogG= -0.617176 logG= -0.656383 Density= 3.418865 ETOT(band)= -1.561228 trlgG= -2.226592 logG= -0.656383 TDE= -4.397069 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=118 logGD-logG0= -0.039254 tlogG= -0.615758 logG= -0.655012 Density= 3.418906 ETOT(band)= -1.560102 trlgG= -2.225073 logG= -0.655012 TDE= -4.396954 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038940 tlogG= -0.625241 logG= -0.664181 Density= 3.417014 ETOT(band)= -1.568990 trlgG= -2.241556 logG= -0.664181 TDE= -4.402704 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039050 tlogG= -0.622716 logG= -0.661766 Density= 3.418222 ETOT(band)= -1.566260 trlgG= -2.234659 logG= -0.661766 TDE= -4.399221 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039177 tlogG= -0.620515 logG= -0.659692 Density= 3.419271 ETOT(band)= -1.563779 trlgG= -2.229842 logG= -0.659692 TDE= -4.397345 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039007 tlogG= -0.620114 logG= -0.659121 Density= 3.417565 ETOT(band)= -1.564760 trlgG= -2.231596 logG= -0.659121 TDE= -4.398259 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039113 tlogG= -0.619513 logG= -0.658626 Density= 3.418115 ETOT(band)= -1.563666 trlgG= -2.230525 logG= -0.658626 TDE= -4.398139 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039340 tlogG= -0.611245 logG= -0.650585 Density= 3.419918 ETOT(band)= -1.555830 trlgG= -2.216556 logG= -0.650585 TDE= -4.393702 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038985 tlogG= -0.626532 logG= -0.665518 Density= 3.416806 ETOT(band)= -1.569962 trlgG= -2.245272 logG= -0.665518 TDE= -4.404912 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038912 tlogG= -0.620739 logG= -0.659651 Density= 3.417176 ETOT(band)= -1.565704 trlgG= -2.232256 logG= -0.659651 TDE= -4.398068 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039209 tlogG= -0.617902 logG= -0.657111 Density= 3.419326 ETOT(band)= -1.561660 trlgG= -2.226080 logG= -0.657111 TDE= -4.396210 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038961 tlogG= -0.623146 logG= -0.662106 Density= 3.417186 ETOT(band)= -1.567309 trlgG= -2.237363 logG= -0.662106 TDE= -4.400727 logGD-logG0= -0.039581 tlogG= -0.609735 logG= -0.649316 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 Density= 3.420974 ETOT(band)= -1.553581 trlgG= -2.215642 logG= -0.649316 TDE= -4.394929 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039461 tlogG= -0.610527 logG= -0.649988 Density= 3.420435 ETOT(band)= -1.554755 trlgG= -2.216557 logG= -0.649988 TDE= -4.394727 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039013 tlogG= -0.622689 logG= -0.661702 Density= 3.417258 ETOT(band)= -1.566815 trlgG= -2.237274 logG= -0.661702 TDE= -4.401103 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.039360 tlogG= -0.613032 logG= -0.652392 Density= 3.419532 ETOT(band)= -1.557451 trlgG= -2.221050 logG= -0.652392 TDE= -4.396069 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039205 tlogG= -0.617548 logG= -0.656753 Density= 3.419084 ETOT(band)= -1.561463 trlgG= -2.226497 logG= -0.656753 TDE= -4.396784 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039025 tlogG= -0.622110 logG= -0.661135 Density= 3.417627 ETOT(band)= -1.566063 trlgG= -2.235457 logG= -0.661135 TDE= -4.400158 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038841 tlogG= -0.623058 logG= -0.661899 Density= 3.416855 ETOT(band)= -1.567711 trlgG= -2.236440 logG= -0.661899 TDE= -4.399739 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039052 tlogG= -0.617871 logG= -0.656923 Density= 3.417926 ETOT(band)= -1.562772 trlgG= -2.227687 logG= -0.656923 TDE= -4.396847 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039278 tlogG= -0.614074 logG= -0.653351 Density= 3.419599 ETOT(band)= -1.558379 trlgG= -2.220739 logG= -0.653351 TDE= -4.394853 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 Sum of eigenvalues= -1021.40464686212 eV TrLogG= -1457.91439479518 eV Ratio to renormalize= 0.999590070709 rho-rho_expected= 0.067255973863 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 35) Finished k-point number 36 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 32) Finished k-point number 33 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 37) Finished k-point number 38 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 44) Finished k-point number 45 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800612208686845 0.802537049909199 0.802449878482378 0.800182829156610 0.803069898239577 0.802411387213493 0.800907244564173 0.802400337188894 0.802553311000861 0.800818938284081 0.802602309014985 0.802455363841379 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038937 tlogG= -0.625243 logG= -0.664180 Density= 3.417003 ETOT(band)= -1.568961 trlgG= -2.241526 logG= -0.664180 TDE= -4.402665 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038795 tlogG= -0.627684 logG= -0.666479 Density= 3.416241 ETOT(band)= -1.571448 trlgG= -2.245173 logG= -0.666479 TDE= -4.403384 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038982 tlogG= -0.626535 logG= -0.665517 Density= 3.416796 ETOT(band)= -1.569933 trlgG= -2.245243 logG= -0.665517 TDE= -4.404874 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039032 tlogG= -0.622437 logG= -0.661469 Density= 3.417895 ETOT(band)= -1.566168 trlgG= -2.235115 logG= -0.661469 TDE= -4.399704 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038942 tlogG= -0.620486 logG= -0.659428 Density= 3.417022 ETOT(band)= -1.565545 trlgG= -2.232192 logG= -0.659428 TDE= -4.398100 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038890 tlogG= -0.625689 logG= -0.664579 Density= 3.416965 ETOT(band)= -1.569421 trlgG= -2.240985 logG= -0.664579 TDE= -4.401694 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.039056 tlogG= -0.619677 logG= -0.658733 Density= 3.417596 ETOT(band)= -1.564273 trlgG= -2.231167 logG= -0.658733 TDE= -4.398244 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039190 tlogG= -0.616277 logG= -0.655467 Density= 3.418755 ETOT(band)= -1.560682 trlgG= -2.225348 logG= -0.655467 TDE= -4.396649 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039093 tlogG= -0.619931 logG= -0.659024 Density= 3.418205 ETOT(band)= -1.563984 trlgG= -2.230708 logG= -0.659024 TDE= -4.397999 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039047 tlogG= -0.622719 logG= -0.661765 Density= 3.418212 ETOT(band)= -1.566231 trlgG= -2.234630 logG= -0.661765 TDE= -4.399184 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038884 tlogG= -0.620985 logG= -0.659868 Density= 3.417319 ETOT(band)= -1.565786 trlgG= -2.232410 logG= -0.659868 TDE= -4.398123 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039184 tlogG= -0.614237 logG= -0.653420 Density= 3.418950 ETOT(band)= -1.559016 trlgG= -2.221346 logG= -0.653420 TDE= -4.394855 logGD-logG0= -0.039074 tlogG= -0.620307 logG= -0.659381 Density= 3.418338 ETOT(band)= -1.564266 trlgG= -2.230596 logG= -0.659381 TDE= -4.397638 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039114 tlogG= -0.620321 logG= -0.659435 Density= 3.418673 ETOT(band)= -1.563942 trlgG= -2.230120 logG= -0.659435 TDE= -4.397385 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038908 tlogG= -0.623587 logG= -0.662495 Density= 3.417143 ETOT(band)= -1.567731 trlgG= -2.237292 logG= -0.662495 TDE= -4.400233 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038909 tlogG= -0.620741 logG= -0.659650 Density= 3.417165 ETOT(band)= -1.565674 trlgG= -2.232227 logG= -0.659650 TDE= -4.398031 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038957 tlogG= -0.624874 logG= -0.663832 Density= 3.416759 ETOT(band)= -1.568854 trlgG= -2.241943 logG= -0.663832 TDE= -4.403230 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039270 tlogG= -0.613650 logG= -0.652920 Density= 3.419236 ETOT(band)= -1.558235 trlgG= -2.221532 logG= -0.652920 TDE= -4.395778 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039251 tlogG= -0.615761 logG= -0.655012 Density= 3.418895 ETOT(band)= -1.560073 trlgG= -2.225041 logG= -0.655012 TDE= -4.396913 logGD-logG0= -0.038996 tlogG= -0.618251 logG= -0.657248 Density= 3.417906 ETOT(band)= -1.563111 trlgG= -2.227467 logG= -0.657248 TDE= -4.396286 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038951 tlogG= -0.620516 logG= -0.659467 Density= 3.417526 ETOT(band)= -1.565131 trlgG= -2.231581 logG= -0.659467 TDE= -4.397867 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039357 tlogG= -0.613035 logG= -0.652392 Density= 3.419521 ETOT(band)= -1.557422 trlgG= -2.221018 logG= -0.652392 TDE= -4.396028 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038886 tlogG= -0.627129 logG= -0.666015 Density= 3.416501 ETOT(band)= -1.570723 trlgG= -2.245601 logG= -0.666015 TDE= -4.404490 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039275 tlogG= -0.614076 logG= -0.653351 Density= 3.419587 ETOT(band)= -1.558350 trlgG= -2.220707 logG= -0.653351 TDE= -4.394813 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039110 tlogG= -0.619516 logG= -0.658625 Density= 3.418104 ETOT(band)= -1.563637 trlgG= -2.230494 logG= -0.658625 TDE= -4.398100 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038990 tlogG= -0.624771 logG= -0.663760 Density= 3.417069 ETOT(band)= -1.568448 trlgG= -2.241481 logG= -0.663760 TDE= -4.403096 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038941 tlogG= -0.622370 logG= -0.661311 Density= 3.416846 ETOT(band)= -1.567041 trlgG= -2.236594 logG= -0.661311 TDE= -4.400474 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039133 tlogG= -0.616788 logG= -0.655921 Density= 3.418646 ETOT(band)= -1.561268 trlgG= -2.225237 logG= -0.655921 TDE= -4.395994 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039415 tlogG= -0.612890 logG= -0.652305 Density= 3.420022 ETOT(band)= -1.556845 trlgG= -2.220521 logG= -0.652305 TDE= -4.396032 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039004 tlogG= -0.620117 logG= -0.659121 Density= 3.417554 ETOT(band)= -1.564731 trlgG= -2.231567 logG= -0.659121 TDE= -4.398221 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039344 tlogG= -0.613491 logG= -0.652835 Density= 3.419794 ETOT(band)= -1.557613 trlgG= -2.220957 logG= -0.652835 TDE= -4.395749 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039202 tlogG= -0.617550 logG= -0.656752 Density= 3.419073 ETOT(band)= -1.561433 trlgG= -2.226465 logG= -0.656752 TDE= -4.396744 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039174 tlogG= -0.620517 logG= -0.659691 Density= 3.419260 ETOT(band)= -1.563749 trlgG= -2.229814 logG= -0.659691 TDE= -4.397309 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038958 tlogG= -0.623148 logG= -0.662106 Density= 3.417175 ETOT(band)= -1.567280 trlgG= -2.237333 logG= -0.662106 TDE= -4.400689 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038886 tlogG= -0.622739 logG= -0.661625 Density= 3.416839 ETOT(band)= -1.567391 trlgG= -2.236501 logG= -0.661625 TDE= -4.400061 logGD-logG0= -0.039010 tlogG= -0.622692 logG= -0.661702 Density= 3.417248 ETOT(band)= -1.566786 trlgG= -2.237244 logG= -0.661702 TDE= -4.401065 logGD-logG0= -0.039049 tlogG= -0.617873 logG= -0.656923 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Density= 3.417915 ETOT(band)= -1.562743 trlgG= -2.227656 logG= -0.656923 TDE= -4.396807 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039204 tlogG= -0.617179 logG= -0.656382 Density= 3.418854 ETOT(band)= -1.561199 trlgG= -2.226561 logG= -0.656382 TDE= -4.397029 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.039205 tlogG= -0.617904 logG= -0.657110 Density= 3.419316 ETOT(band)= -1.561631 trlgG= -2.226049 logG= -0.657110 TDE= -4.396171 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039337 tlogG= -0.611247 logG= -0.650584 Density= 3.419907 ETOT(band)= -1.555801 trlgG= -2.216524 logG= -0.650584 TDE= -4.393661 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039099 tlogG= -0.617467 logG= -0.656566 Density= 3.417928 ETOT(band)= -1.562343 trlgG= -2.227541 logG= -0.656566 TDE= -4.397060 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039577 tlogG= -0.609738 logG= -0.649315 Density= 3.420962 ETOT(band)= -1.553552 trlgG= -2.215610 logG= -0.649315 TDE= -4.394888 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038879 tlogG= -0.625374 logG= -0.664253 Density= 3.416578 ETOT(band)= -1.569465 trlgG= -2.242097 logG= -0.664253 TDE= -4.402812 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039063 tlogG= -0.620115 logG= -0.659178 Density= 3.418138 ETOT(band)= -1.564093 trlgG= -2.230421 logG= -0.659178 TDE= -4.397501 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039458 tlogG= -0.610530 logG= -0.649987 Density= 3.420423 ETOT(band)= -1.554727 trlgG= -2.216525 logG= -0.649987 TDE= -4.394686 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038803 tlogG= -0.625835 logG= -0.664638 Density= 3.416414 ETOT(band)= -1.570018 trlgG= -2.241682 logG= -0.664638 TDE= -4.401877 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039022 tlogG= -0.622112 logG= -0.661134 Density= 3.417617 ETOT(band)= -1.566033 trlgG= -2.235427 logG= -0.661134 TDE= -4.400120 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038838 tlogG= -0.623060 logG= -0.661898 Density= 3.416845 ETOT(band)= -1.567682 trlgG= -2.236412 logG= -0.661898 TDE= -4.399703 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 Sum of eigenvalues= -1021.38571019913 eV TrLogG= -1457.88875563588 eV Ratio to renormalize= 0.999593252065 rho-rho_expected= 0.066733805212 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 41) Finished k-point number 42 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 36) Finished k-point number 37 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 46) Finished k-point number 47 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800613168287562 0.802542324294752 0.802449689081912 0.800183783023436 0.803074899519094 0.802411399138449 0.800908175378067 0.802405607108702 0.802553128760779 0.800819816480822 0.802607565577255 0.802455200893268 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038997 tlogG= -0.618249 logG= -0.657246 Density= 3.417908 ETOT(band)= -1.563114 trlgG= -2.227469 logG= -0.657246 TDE= -4.396291 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038958 tlogG= -0.624872 logG= -0.663830 Density= 3.416761 ETOT(band)= -1.568857 trlgG= -2.241944 logG= -0.663830 TDE= -4.403235 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039093 tlogG= -0.619929 logG= -0.659022 Density= 3.418208 ETOT(band)= -1.563987 trlgG= -2.230710 logG= -0.659022 TDE= -4.398005 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038942 tlogG= -0.620484 logG= -0.659426 Density= 3.417025 ETOT(band)= -1.565548 trlgG= -2.232193 logG= -0.659426 TDE= -4.398105 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038983 tlogG= -0.626533 logG= -0.665515 Density= 3.416798 ETOT(band)= -1.569936 trlgG= -2.245244 logG= -0.665515 TDE= -4.404879 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039134 tlogG= -0.616786 logG= -0.655920 Density= 3.418649 ETOT(band)= -1.561271 trlgG= -2.225239 logG= -0.655920 TDE= -4.396000 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039004 tlogG= -0.620114 logG= -0.659119 Density= 3.417556 ETOT(band)= -1.564734 trlgG= -2.231568 logG= -0.659119 TDE= -4.398227 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039458 tlogG= -0.610527 logG= -0.649986 Density= 3.420426 ETOT(band)= -1.554729 trlgG= -2.216528 logG= -0.649986 TDE= -4.394693 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039175 tlogG= -0.620515 logG= -0.659690 Density= 3.419263 ETOT(band)= -1.563752 trlgG= -2.229815 logG= -0.659690 TDE= -4.397314 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038796 tlogG= -0.627682 logG= -0.666477 Density= 3.416244 ETOT(band)= -1.571451 trlgG= -2.245174 logG= -0.666477 TDE= -4.403389 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039205 tlogG= -0.617176 logG= -0.656381 Density= 3.418856 ETOT(band)= -1.561202 trlgG= -2.226563 logG= -0.656381 TDE= -4.397035 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=118 logGD-logG0= -0.038887 tlogG= -0.627126 logG= -0.666013 Density= 3.416503 ETOT(band)= -1.570726 trlgG= -2.245602 logG= -0.666013 TDE= -4.404495 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038908 tlogG= -0.623585 logG= -0.662493 Density= 3.417145 ETOT(band)= -1.567734 trlgG= -2.237294 logG= -0.662493 TDE= -4.400238 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039110 tlogG= -0.619513 logG= -0.658623 Density= 3.418107 ETOT(band)= -1.563640 trlgG= -2.230496 logG= -0.658623 TDE= -4.398105 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039206 tlogG= -0.617902 logG= -0.657108 Density= 3.419318 ETOT(band)= -1.561634 trlgG= -2.226051 logG= -0.657108 TDE= -4.396177 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039184 tlogG= -0.614234 logG= -0.653419 Density= 3.418953 ETOT(band)= -1.559019 trlgG= -2.221348 logG= -0.653419 TDE= -4.394861 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039022 tlogG= -0.622110 logG= -0.661132 Density= 3.417619 ETOT(band)= -1.566037 trlgG= -2.235428 logG= -0.661132 TDE= -4.400126 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039358 tlogG= -0.613032 logG= -0.652390 Density= 3.419524 ETOT(band)= -1.557425 trlgG= -2.221020 logG= -0.652390 TDE= -4.396034 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039251 tlogG= -0.615759 logG= -0.655010 Density= 3.418897 ETOT(band)= -1.560076 trlgG= -2.225043 logG= -0.655010 TDE= -4.396919 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038937 tlogG= -0.625241 logG= -0.664178 Density= 3.417005 ETOT(band)= -1.568964 trlgG= -2.241527 logG= -0.664178 TDE= -4.402671 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038952 tlogG= -0.620513 logG= -0.659465 Density= 3.417529 ETOT(band)= -1.565134 trlgG= -2.231583 logG= -0.659465 TDE= -4.397873 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039047 tlogG= -0.622716 logG= -0.661763 Density= 3.418214 ETOT(band)= -1.566234 trlgG= -2.234631 logG= -0.661763 TDE= -4.399189 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038990 tlogG= -0.624768 logG= -0.663759 Density= 3.417072 ETOT(band)= -1.568451 trlgG= -2.241482 logG= -0.663759 TDE= -4.403101 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039271 tlogG= -0.613648 logG= -0.652918 Density= 3.419239 ETOT(band)= -1.558238 trlgG= -2.221534 logG= -0.652918 TDE= -4.395785 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039033 tlogG= -0.622435 logG= -0.661467 Density= 3.417898 ETOT(band)= -1.566171 trlgG= -2.235117 logG= -0.661467 TDE= -4.399710 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038941 tlogG= -0.622368 logG= -0.661309 Density= 3.416849 ETOT(band)= -1.567044 trlgG= -2.236595 logG= -0.661309 TDE= -4.400479 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039057 tlogG= -0.619674 logG= -0.658731 Density= 3.417598 ETOT(band)= -1.564276 trlgG= -2.231168 logG= -0.658731 TDE= -4.398250 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038803 tlogG= -0.625833 logG= -0.664636 Density= 3.416417 ETOT(band)= -1.570021 trlgG= -2.241683 logG= -0.664636 TDE= -4.401882 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039100 tlogG= -0.617465 logG= -0.656565 Density= 3.417931 ETOT(band)= -1.562346 trlgG= -2.227544 logG= -0.656565 TDE= -4.397066 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039416 tlogG= -0.612888 logG= -0.652304 Density= 3.420025 ETOT(band)= -1.556848 trlgG= -2.220524 logG= -0.652304 TDE= -4.396039 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039063 tlogG= -0.620113 logG= -0.659176 Density= 3.418140 ETOT(band)= -1.564096 trlgG= -2.230422 logG= -0.659176 TDE= -4.397506 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039075 tlogG= -0.620305 logG= -0.659379 Density= 3.418341 ETOT(band)= -1.564269 trlgG= -2.230597 logG= -0.659379 TDE= -4.397644 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038891 tlogG= -0.625686 logG= -0.664577 Density= 3.416967 ETOT(band)= -1.569424 trlgG= -2.240986 logG= -0.664577 TDE= -4.401700 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038880 tlogG= -0.625371 logG= -0.664251 Density= 3.416581 ETOT(band)= -1.569468 trlgG= -2.242098 logG= -0.664251 TDE= -4.402818 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039190 tlogG= -0.616275 logG= -0.655465 Density= 3.418757 ETOT(band)= -1.560685 trlgG= -2.225350 logG= -0.655465 TDE= -4.396656 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039011 tlogG= -0.622690 logG= -0.661700 Density= 3.417250 ETOT(band)= -1.566789 trlgG= -2.237246 logG= -0.661700 TDE= -4.401070 logGD-logG0= -0.038910 tlogG= -0.620739 logG= -0.659648 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 Density= 3.417168 ETOT(band)= -1.565678 trlgG= -2.232229 logG= -0.659648 TDE= -4.398036 logGD-logG0= -0.038838 tlogG= -0.623058 logG= -0.661896 Density= 3.416847 ETOT(band)= -1.567685 trlgG= -2.236413 logG= -0.661896 TDE= -4.399708 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039203 tlogG= -0.617548 logG= -0.656751 Density= 3.419076 ETOT(band)= -1.561436 trlgG= -2.226467 logG= -0.656751 TDE= -4.396750 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039115 tlogG= -0.620319 logG= -0.659434 Density= 3.418675 ETOT(band)= -1.563945 trlgG= -2.230121 logG= -0.659434 TDE= -4.397390 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039050 tlogG= -0.617871 logG= -0.656921 Density= 3.417917 ETOT(band)= -1.562746 trlgG= -2.227658 logG= -0.656921 TDE= -4.396813 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038885 tlogG= -0.620982 logG= -0.659867 Density= 3.417321 ETOT(band)= -1.565789 trlgG= -2.232411 logG= -0.659867 TDE= -4.398128 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039338 tlogG= -0.611245 logG= -0.650583 Density= 3.419910 ETOT(band)= -1.555804 trlgG= -2.216526 logG= -0.650583 TDE= -4.393667 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039344 tlogG= -0.613489 logG= -0.652833 Density= 3.419797 ETOT(band)= -1.557616 trlgG= -2.220959 logG= -0.652833 TDE= -4.395756 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039578 tlogG= -0.609736 logG= -0.649314 Density= 3.420965 ETOT(band)= -1.553555 trlgG= -2.215612 logG= -0.649314 TDE= -4.394895 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038958 tlogG= -0.623146 logG= -0.662104 Density= 3.417177 ETOT(band)= -1.567283 trlgG= -2.237334 logG= -0.662104 TDE= -4.400695 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038887 tlogG= -0.622736 logG= -0.661623 Density= 3.416842 ETOT(band)= -1.567394 trlgG= -2.236503 logG= -0.661623 TDE= -4.400066 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039275 tlogG= -0.614074 logG= -0.653349 Density= 3.419590 ETOT(band)= -1.558353 trlgG= -2.220709 logG= -0.653349 TDE= -4.394819 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1021.38768505114 eV TrLogG= -1457.89129374014 eV Ratio to renormalize= 0.999592483019 rho-rho_expected= 0.066860031548 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 35) Finished k-point number 36 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 24) Finished k-point number 25 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 21) Finished k-point number 22 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 20) Finished k-point number 21 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800617189046341 0.802546990873966 0.802453722566894 0.800187834963942 0.803079484265356 0.802415429093696 0.800912193122487 0.802410261138799 0.802557153537292 0.800823830426367 0.802612208760608 0.802459236607075 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038915 tlogG= -0.616780 logG= -0.655695 Density= 3.418529 ETOT(band)= -1.561392 trlgG= -2.225119 logG= -0.655695 TDE= -4.396006 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038722 tlogG= -0.620478 logG= -0.659200 Density= 3.416890 ETOT(band)= -1.565681 trlgG= -2.232084 logG= -0.659200 TDE= -4.398111 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038575 tlogG= -0.627676 logG= -0.666251 Density= 3.416104 ETOT(band)= -1.571587 trlgG= -2.245070 logG= -0.666251 TDE= -4.403395 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038830 tlogG= -0.617865 logG= -0.656695 Density= 3.417793 ETOT(band)= -1.562871 trlgG= -2.227542 logG= -0.656695 TDE= -4.396820 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039057 tlogG= -0.614068 logG= -0.653125 logGD-logG0= -0.039052 tlogG= -0.613642 logG= -0.652694 Density= 3.419128 ETOT(band)= -1.558354 trlgG= -2.221409 logG= -0.652694 TDE= -4.395792 Density= 3.419478 ETOT(band)= -1.558468 trlgG= -2.220585 logG= -0.653125 TDE= -4.394826 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038721 tlogG= -0.622362 logG= -0.661083 Density= 3.416715 ETOT(band)= -1.567177 trlgG= -2.236486 logG= -0.661083 TDE= -4.400485 logGD-logG0= -0.038732 tlogG= -0.620507 logG= -0.659239 Density= 3.417399 ETOT(band)= -1.565262 trlgG= -2.231470 logG= -0.659239 TDE= -4.397879 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038671 tlogG= -0.625680 logG= -0.664351 Density= 3.416832 ETOT(band)= -1.569556 trlgG= -2.240878 logG= -0.664351 TDE= -4.401706 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038874 tlogG= -0.619923 logG= -0.658797 Density= 3.418086 ETOT(band)= -1.564108 trlgG= -2.230592 logG= -0.658797 TDE= -4.398011 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038988 tlogG= -0.617896 logG= -0.656884 Density= 3.419203 ETOT(band)= -1.561749 trlgG= -2.225928 logG= -0.656884 TDE= -4.396183 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038738 tlogG= -0.624866 logG= -0.663604 Density= 3.416629 ETOT(band)= -1.568988 trlgG= -2.241834 logG= -0.663604 TDE= -4.403241 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038828 tlogG= -0.622710 logG= -0.661538 Density= 3.418089 ETOT(band)= -1.566357 trlgG= -2.234515 logG= -0.661538 TDE= -4.399195 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038664 tlogG= -0.620977 logG= -0.659640 Density= 3.417189 ETOT(band)= -1.565920 trlgG= -2.232300 logG= -0.659640 TDE= -4.398133 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038892 tlogG= -0.619507 logG= -0.658399 Density= 3.417986 ETOT(band)= -1.563761 trlgG= -2.230378 logG= -0.658399 TDE= -4.398112 logGD-logG0= -0.038813 tlogG= -0.622429 logG= -0.661242 Density= 3.417772 ETOT(band)= -1.566295 trlgG= -2.235002 logG= -0.661242 TDE= -4.399716 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038966 tlogG= -0.614229 logG= -0.653194 Density= 3.418836 ETOT(band)= -1.559138 trlgG= -2.221227 logG= -0.653194 TDE= -4.394868 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038845 tlogG= -0.620107 logG= -0.658952 Density= 3.418018 ETOT(band)= -1.564217 trlgG= -2.230304 logG= -0.658952 TDE= -4.397512 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038777 tlogG= -0.618243 logG= -0.657020 Density= 3.417782 ETOT(band)= -1.563240 trlgG= -2.227354 logG= -0.657020 TDE= -4.396298 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038764 tlogG= -0.626527 logG= -0.665290 Density= 3.416668 ETOT(band)= -1.570065 trlgG= -2.245132 logG= -0.665290 TDE= -4.404885 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038855 tlogG= -0.620299 logG= -0.659154 Density= 3.418217 ETOT(band)= -1.564391 trlgG= -2.230480 logG= -0.659154 TDE= -4.397650 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039033 tlogG= -0.615753 logG= -0.654786 Density= 3.418785 ETOT(band)= -1.560192 trlgG= -2.224919 logG= -0.654786 TDE= -4.396926 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038618 tlogG= -0.623052 logG= -0.661670 Density= 3.416711 ETOT(band)= -1.567818 trlgG= -2.236305 logG= -0.661670 TDE= -4.399714 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038972 tlogG= -0.616269 logG= -0.655241 Density= 3.418641 ETOT(band)= -1.560804 trlgG= -2.225229 logG= -0.655241 TDE= -4.396663 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038688 tlogG= -0.623579 logG= -0.662267 Density= 3.417012 ETOT(band)= -1.567865 trlgG= -2.237184 logG= -0.662267 TDE= -4.400244 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038660 tlogG= -0.625366 logG= -0.664025 Density= 3.416445 ETOT(band)= -1.569601 trlgG= -2.241991 logG= -0.664025 TDE= -4.402824 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038718 tlogG= -0.625235 logG= -0.663953 Density= 3.416873 ETOT(band)= -1.569093 trlgG= -2.241417 logG= -0.663953 TDE= -4.402677 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038987 tlogG= -0.617170 logG= -0.656157 Density= 3.418742 ETOT(band)= -1.561318 trlgG= -2.226440 logG= -0.656157 TDE= -4.397041 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038956 tlogG= -0.620509 logG= -0.659465 Density= 3.419147 ETOT(band)= -1.563867 trlgG= -2.229692 logG= -0.659465 TDE= -4.397319 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038896 tlogG= -0.620313 logG= -0.659209 Density= 3.418556 ETOT(band)= -1.564062 trlgG= -2.230001 logG= -0.659209 TDE= -4.397396 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039362 tlogG= -0.609730 logG= -0.649091 Density= 3.420874 ETOT(band)= -1.553657 trlgG= -2.215472 logG= -0.649091 TDE= -4.394901 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038785 tlogG= -0.620109 logG= -0.658893 Density= 3.417428 ETOT(band)= -1.564861 trlgG= -2.231454 logG= -0.658893 TDE= -4.398233 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039127 tlogG= -0.613483 logG= -0.652610 Density= 3.419689 ETOT(band)= -1.557728 trlgG= -2.220831 logG= -0.652610 TDE= -4.395763 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039140 tlogG= -0.613026 logG= -0.652166 Density= 3.419417 ETOT(band)= -1.557537 trlgG= -2.220891 logG= -0.652166 TDE= -4.396041 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038667 tlogG= -0.627120 logG= -0.665787 Density= 3.416368 ETOT(band)= -1.570859 trlgG= -2.245494 logG= -0.665787 TDE= -4.404502 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038837 tlogG= -0.619669 logG= -0.658506 Density= 3.417472 ETOT(band)= -1.564403 trlgG= -2.231054 logG= -0.658506 TDE= -4.398256 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039199 tlogG= -0.612882 logG= -0.652081 Density= 3.419923 ETOT(band)= -1.556956 trlgG= -2.220392 logG= -0.652081 TDE= -4.396046 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038689 tlogG= -0.620733 logG= -0.659422 Density= 3.417034 ETOT(band)= -1.565809 trlgG= -2.232118 logG= -0.659422 TDE= -4.398042 logGD-logG0= -0.039241 tlogG= -0.610521 logG= -0.649763 Density= 3.420325 ETOT(band)= -1.554838 trlgG= -2.216396 logG= -0.649763 TDE= -4.394700 logGD-logG0= -0.039120 tlogG= -0.611239 logG= -0.650359 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 Density= 3.419800 ETOT(band)= -1.555918 trlgG= -2.216401 logG= -0.650359 TDE= -4.393674 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038666 tlogG= -0.622730 logG= -0.661397 Density= 3.416707 ETOT(band)= -1.567527 trlgG= -2.236394 logG= -0.661397 TDE= -4.400073 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038791 tlogG= -0.622684 logG= -0.661475 Density= 3.417122 ETOT(band)= -1.566916 trlgG= -2.237133 logG= -0.661475 TDE= -4.401076 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038880 tlogG= -0.617459 logG= -0.656339 Density= 3.417807 ETOT(band)= -1.562471 trlgG= -2.227428 logG= -0.656339 TDE= -4.397073 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038771 tlogG= -0.624763 logG= -0.663533 Density= 3.416943 ETOT(band)= -1.568579 trlgG= -2.241370 logG= -0.663533 TDE= -4.403107 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038803 tlogG= -0.622104 logG= -0.660908 Density= 3.417494 ETOT(band)= -1.566161 trlgG= -2.235313 logG= -0.660908 TDE= -4.400132 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038985 tlogG= -0.617542 logG= -0.656527 Density= 3.418961 ETOT(band)= -1.561552 trlgG= -2.226345 logG= -0.656527 TDE= -4.396757 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038739 tlogG= -0.623140 logG= -0.661878 Density= 3.417047 ETOT(band)= -1.567413 trlgG= -2.237223 logG= -0.661878 TDE= -4.400701 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038583 tlogG= -0.625827 logG= -0.664410 Density= 3.416278 ETOT(band)= -1.570157 trlgG= -2.241577 logG= -0.664410 TDE= -4.401888 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1021.46831668906 eV TrLogG= -1457.74850299263 eV Ratio to renormalize= 0.999628521699 rho-rho_expected= 0.060945081091 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 20) Finished k-point number 21 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 44) Finished k-point number 45 1 with #bands= 107 2) Finished k-point number 3 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 24) Finished k-point number 25 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800617910260841 0.802547490997203 0.802454802206190 0.800188565570988 0.803080102416472 0.802416381894224 0.800912910507528 0.802410771721048 0.802558222535633 0.800824531582934 0.802612732947555 0.802460300092385 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038576 tlogG= -0.627680 logG= -0.666255 Density= 3.416104 ETOT(band)= -1.571589 trlgG= -2.245076 logG= -0.666255 TDE= -4.403398 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038764 tlogG= -0.626531 logG= -0.665294 Density= 3.416669 ETOT(band)= -1.570067 trlgG= -2.245138 logG= -0.665294 TDE= -4.404888 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038739 tlogG= -0.623144 logG= -0.661882 Density= 3.417047 ETOT(band)= -1.567415 trlgG= -2.237229 logG= -0.661882 TDE= -4.400703 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038771 tlogG= -0.624766 logG= -0.663538 Density= 3.416944 ETOT(band)= -1.568581 trlgG= -2.241376 logG= -0.663538 TDE= -4.403109 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038721 tlogG= -0.622366 logG= -0.661087 Density= 3.416716 ETOT(band)= -1.567178 trlgG= -2.236492 logG= -0.661087 TDE= -4.400488 logGD-logG0= -0.039053 tlogG= -0.613646 logG= -0.652698 Density= 3.419128 ETOT(band)= -1.558355 trlgG= -2.221415 logG= -0.652698 TDE= -4.395794 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038618 tlogG= -0.623056 logG= -0.661674 Density= 3.416712 ETOT(band)= -1.567820 trlgG= -2.236311 logG= -0.661674 TDE= -4.399716 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038671 tlogG= -0.625684 logG= -0.664355 Density= 3.416833 ETOT(band)= -1.569558 trlgG= -2.240883 logG= -0.664355 TDE= -4.401708 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038856 tlogG= -0.620303 logG= -0.659158 Density= 3.418218 ETOT(band)= -1.564393 trlgG= -2.230486 logG= -0.659158 TDE= -4.397652 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039034 tlogG= -0.615757 logG= -0.654790 Density= 3.418785 ETOT(band)= -1.560194 trlgG= -2.224925 logG= -0.654790 TDE= -4.396929 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038689 tlogG= -0.623583 logG= -0.662271 Density= 3.417013 ETOT(band)= -1.567867 trlgG= -2.237190 logG= -0.662271 TDE= -4.400246 logGD-logG0= -0.038972 tlogG= -0.616273 logG= -0.655245 Density= 3.418642 ETOT(band)= -1.560806 trlgG= -2.225235 logG= -0.655245 TDE= -4.396665 logGD-logG0= -0.038897 tlogG= -0.620317 logG= -0.659213 Density= 3.418557 ETOT(band)= -1.564064 trlgG= -2.230007 logG= -0.659213 TDE= -4.397398 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038828 tlogG= -0.622714 logG= -0.661542 Density= 3.418090 ETOT(band)= -1.566359 trlgG= -2.234521 logG= -0.661542 TDE= -4.399197 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039140 tlogG= -0.613030 logG= -0.652170 Density= 3.419418 ETOT(band)= -1.557539 trlgG= -2.220897 logG= -0.652170 TDE= -4.396043 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038732 tlogG= -0.620511 logG= -0.659243 Density= 3.417400 ETOT(band)= -1.565264 trlgG= -2.231476 logG= -0.659243 TDE= -4.397881 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038804 tlogG= -0.622108 logG= -0.660912 Density= 3.417494 ETOT(band)= -1.566163 trlgG= -2.235319 logG= -0.660912 TDE= -4.400134 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038814 tlogG= -0.622433 logG= -0.661246 Density= 3.417773 ETOT(band)= -1.566297 trlgG= -2.235008 logG= -0.661246 TDE= -4.399718 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038739 tlogG= -0.624870 logG= -0.663608 Density= 3.416630 ETOT(band)= -1.568990 trlgG= -2.241840 logG= -0.663608 TDE= -4.403243 logGD-logG0= -0.038667 tlogG= -0.627124 logG= -0.665792 Density= 3.416369 ETOT(band)= -1.570861 trlgG= -2.245500 logG= -0.665792 TDE= -4.404504 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038875 tlogG= -0.619927 logG= -0.658801 Density= 3.418086 ETOT(band)= -1.564110 trlgG= -2.230598 logG= -0.658801 TDE= -4.398013 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038664 tlogG= -0.620980 logG= -0.659644 Density= 3.417189 ETOT(band)= -1.565922 trlgG= -2.232306 logG= -0.659644 TDE= -4.398135 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038915 tlogG= -0.616784 logG= -0.655699 Density= 3.418530 ETOT(band)= -1.561394 trlgG= -2.225125 logG= -0.655699 TDE= -4.396009 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038660 tlogG= -0.625369 logG= -0.664029 Density= 3.416445 ETOT(band)= -1.569603 trlgG= -2.241997 logG= -0.664029 TDE= -4.402826 logGD-logG0= -0.039121 tlogG= -0.611243 logG= -0.650363 Density= 3.419800 ETOT(band)= -1.555920 trlgG= -2.216407 logG= -0.650363 TDE= -4.393677 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039362 tlogG= -0.609733 logG= -0.649095 Density= 3.420875 ETOT(band)= -1.553658 trlgG= -2.215478 logG= -0.649095 TDE= -4.394904 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038892 tlogG= -0.619511 logG= -0.658403 Density= 3.417987 ETOT(band)= -1.563763 trlgG= -2.230384 logG= -0.658403 TDE= -4.398114 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038966 tlogG= -0.614232 logG= -0.653198 Density= 3.418837 ETOT(band)= -1.559140 trlgG= -2.221233 logG= -0.653198 TDE= -4.394871 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038718 tlogG= -0.625239 logG= -0.663957 Density= 3.416874 ETOT(band)= -1.569095 trlgG= -2.241423 logG= -0.663957 TDE= -4.402679 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038777 tlogG= -0.618247 logG= -0.657024 Density= 3.417783 ETOT(band)= -1.563242 trlgG= -2.227360 logG= -0.657024 TDE= -4.396300 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038785 tlogG= -0.620112 logG= -0.658897 Density= 3.417429 ETOT(band)= -1.564863 trlgG= -2.231460 logG= -0.658897 TDE= -4.398235 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038722 tlogG= -0.620482 logG= -0.659204 Density= 3.416891 ETOT(band)= -1.565682 trlgG= -2.232090 logG= -0.659204 TDE= -4.398113 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038667 tlogG= -0.622734 logG= -0.661401 Density= 3.416707 ETOT(band)= -1.567529 trlgG= -2.236400 logG= -0.661401 TDE= -4.400075 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.039199 tlogG= -0.612886 logG= -0.652085 Density= 3.419923 ETOT(band)= -1.556958 trlgG= -2.220398 logG= -0.652085 TDE= -4.396048 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038956 tlogG= -0.620513 logG= -0.659469 Density= 3.419147 ETOT(band)= -1.563869 trlgG= -2.229698 logG= -0.659469 TDE= -4.397322 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038689 tlogG= -0.620737 logG= -0.659426 Density= 3.417035 ETOT(band)= -1.565811 trlgG= -2.232124 logG= -0.659426 TDE= -4.398045 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038845 tlogG= -0.620111 logG= -0.658956 Density= 3.418019 ETOT(band)= -1.564219 trlgG= -2.230310 logG= -0.658956 TDE= -4.397514 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038792 tlogG= -0.622688 logG= -0.661479 Density= 3.417123 ETOT(band)= -1.566918 trlgG= -2.237139 logG= -0.661479 TDE= -4.401079 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038583 tlogG= -0.625831 logG= -0.664414 Density= 3.416278 ETOT(band)= -1.570159 trlgG= -2.241583 logG= -0.664414 TDE= -4.401890 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039058 tlogG= -0.614072 logG= -0.653129 Density= 3.419478 ETOT(band)= -1.558470 trlgG= -2.220591 logG= -0.653129 TDE= -4.394828 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038985 tlogG= -0.617546 logG= -0.656531 Density= 3.418961 ETOT(band)= -1.561554 trlgG= -2.226351 logG= -0.656531 TDE= -4.396759 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038881 tlogG= -0.617463 logG= -0.656343 Density= 3.417808 ETOT(band)= -1.562473 trlgG= -2.227434 logG= -0.656343 TDE= -4.397075 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039242 tlogG= -0.610525 logG= -0.649767 Density= 3.420325 ETOT(band)= -1.554840 trlgG= -2.216402 logG= -0.649767 TDE= -4.394702 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038837 tlogG= -0.619672 logG= -0.658510 Density= 3.417473 ETOT(band)= -1.564405 trlgG= -2.231059 logG= -0.658510 TDE= -4.398258 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038988 tlogG= -0.617900 logG= -0.656888 Density= 3.419204 ETOT(band)= -1.561751 trlgG= -2.225934 logG= -0.656888 TDE= -4.396186 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038987 tlogG= -0.617174 logG= -0.656161 Density= 3.418742 ETOT(band)= -1.561320 trlgG= -2.226446 logG= -0.656161 TDE= -4.397044 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038830 tlogG= -0.617869 logG= -0.656699 Density= 3.417793 ETOT(band)= -1.562873 trlgG= -2.227548 logG= -0.656699 TDE= -4.396822 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039127 tlogG= -0.613487 logG= -0.652614 Density= 3.419690 ETOT(band)= -1.557730 trlgG= -2.220838 logG= -0.652614 TDE= -4.395765 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1021.46955022015 eV TrLogG= -1457.75267924973 eV Ratio to renormalize= 0.999628352212 rho-rho_expected= 0.060972897739 nargs= 1 argi=dmft2.def 30) Finished k-point number 31 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 1) Finished k-point number 2 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 107 10) Finished k-point number 11 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 24) Finished k-point number 25 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 45) Finished k-point number 46 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800617575687950 0.802548022080171 0.802453481878472 0.800188231061398 0.803080421307926 0.802415252692644 0.800912575489960 0.802411287310396 0.802556914308048 0.800824196875447 0.802613242283484 0.802458997010321 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039052 tlogG= -0.613643 logG= -0.652695 Density= 3.419129 ETOT(band)= -1.558356 trlgG= -2.221413 logG= -0.652695 TDE= -4.395795 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038722 tlogG= -0.620479 logG= -0.659201 Density= 3.416891 ETOT(band)= -1.565683 trlgG= -2.232088 logG= -0.659201 TDE= -4.398114 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038875 tlogG= -0.619923 logG= -0.658798 Density= 3.418087 ETOT(band)= -1.564111 trlgG= -2.230596 logG= -0.658798 TDE= -4.398014 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038739 tlogG= -0.624866 logG= -0.663605 Density= 3.416630 ETOT(band)= -1.568991 trlgG= -2.241838 logG= -0.663605 TDE= -4.403245 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038576 tlogG= -0.627677 logG= -0.666252 Density= 3.416105 ETOT(band)= -1.571590 trlgG= -2.245074 logG= -0.666252 TDE= -4.403399 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038987 tlogG= -0.617171 logG= -0.656158 Density= 3.418743 ETOT(band)= -1.561321 trlgG= -2.226444 logG= -0.656158 TDE= -4.397045 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038814 tlogG= -0.622429 logG= -0.661243 Density= 3.417773 ETOT(band)= -1.566298 trlgG= -2.235006 logG= -0.661243 TDE= -4.399719 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038764 tlogG= -0.626527 logG= -0.665291 Density= 3.416669 ETOT(band)= -1.570068 trlgG= -2.245136 logG= -0.665291 TDE= -4.404889 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038856 tlogG= -0.620299 logG= -0.659155 Density= 3.418218 ETOT(band)= -1.564394 trlgG= -2.230483 logG= -0.659155 TDE= -4.397653 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038966 tlogG= -0.614229 logG= -0.653195 Density= 3.418837 ETOT(band)= -1.559141 trlgG= -2.221230 logG= -0.653195 TDE= -4.394872 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038732 tlogG= -0.620508 logG= -0.659240 Density= 3.417400 ETOT(band)= -1.565265 trlgG= -2.231474 logG= -0.659240 TDE= -4.397882 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038688 tlogG= -0.623580 logG= -0.662268 Density= 3.417013 ETOT(band)= -1.567868 trlgG= -2.237187 logG= -0.662268 TDE= -4.400248 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038972 tlogG= -0.616269 logG= -0.655241 Density= 3.418642 ETOT(band)= -1.560807 trlgG= -2.225232 logG= -0.655241 TDE= -4.396666 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038671 tlogG= -0.625681 logG= -0.664352 logGD-logG0= -0.038721 tlogG= -0.622363 logG= -0.661084 Density= 3.416716 ETOT(band)= -1.567179 trlgG= -2.236490 logG= -0.661084 TDE= -4.400489 Density= 3.416833 ETOT(band)= -1.569558 trlgG= -2.240881 logG= -0.664352 TDE= -4.401709 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038915 tlogG= -0.616781 logG= -0.655696 Density= 3.418530 ETOT(band)= -1.561395 trlgG= -2.225123 logG= -0.655696 TDE= -4.396010 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038792 tlogG= -0.622684 logG= -0.661476 Density= 3.417123 ETOT(band)= -1.566919 trlgG= -2.237136 logG= -0.661476 TDE= -4.401080 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039034 tlogG= -0.615753 logG= -0.654787 Density= 3.418786 ETOT(band)= -1.560195 trlgG= -2.224923 logG= -0.654787 TDE= -4.396930 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038828 tlogG= -0.622711 logG= -0.661539 Density= 3.418090 ETOT(band)= -1.566359 trlgG= -2.234518 logG= -0.661539 TDE= -4.399198 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038830 tlogG= -0.617866 logG= -0.656696 Density= 3.417793 ETOT(band)= -1.562874 trlgG= -2.227546 logG= -0.656696 TDE= -4.396824 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038667 tlogG= -0.622731 logG= -0.661398 Density= 3.416708 ETOT(band)= -1.567530 trlgG= -2.236398 logG= -0.661398 TDE= -4.400076 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038739 tlogG= -0.623140 logG= -0.661879 Density= 3.417047 ETOT(band)= -1.567415 trlgG= -2.237227 logG= -0.661879 TDE= -4.400704 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038785 tlogG= -0.620109 logG= -0.658894 Density= 3.417429 ETOT(band)= -1.564864 trlgG= -2.231458 logG= -0.658894 TDE= -4.398236 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038985 tlogG= -0.617543 logG= -0.656527 Density= 3.418962 ETOT(band)= -1.561555 trlgG= -2.226349 logG= -0.656527 TDE= -4.396761 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038660 tlogG= -0.625366 logG= -0.664026 Density= 3.416446 ETOT(band)= -1.569604 trlgG= -2.241994 logG= -0.664026 TDE= -4.402827 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038667 tlogG= -0.627121 logG= -0.665788 Density= 3.416369 ETOT(band)= -1.570862 trlgG= -2.245498 logG= -0.665788 TDE= -4.404505 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038664 tlogG= -0.620977 logG= -0.659641 Density= 3.417189 ETOT(band)= -1.565923 trlgG= -2.232303 logG= -0.659641 TDE= -4.398137 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038771 tlogG= -0.624763 logG= -0.663534 Density= 3.416944 ETOT(band)= -1.568582 trlgG= -2.241374 logG= -0.663534 TDE= -4.403111 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039241 tlogG= -0.610522 logG= -0.649764 Density= 3.420326 ETOT(band)= -1.554841 trlgG= -2.216399 logG= -0.649764 TDE= -4.394703 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038892 tlogG= -0.619508 logG= -0.658400 Density= 3.417987 ETOT(band)= -1.563764 trlgG= -2.230381 logG= -0.658400 TDE= -4.398115 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.039199 tlogG= -0.612882 logG= -0.652081 Density= 3.419924 ETOT(band)= -1.556959 trlgG= -2.220396 logG= -0.652081 TDE= -4.396049 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.039127 tlogG= -0.613484 logG= -0.652611 Density= 3.419690 ETOT(band)= -1.557731 trlgG= -2.220835 logG= -0.652611 TDE= -4.395767 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038988 tlogG= -0.617897 logG= -0.656885 Density= 3.419204 ETOT(band)= -1.561752 trlgG= -2.225932 logG= -0.656885 TDE= -4.396187 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038777 tlogG= -0.618244 logG= -0.657021 Density= 3.417783 ETOT(band)= -1.563243 trlgG= -2.227358 logG= -0.657021 TDE= -4.396301 logGD-logG0= -0.038837 tlogG= -0.619669 logG= -0.658507 Density= 3.417473 ETOT(band)= -1.564406 trlgG= -2.231057 logG= -0.658507 TDE= -4.398259 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039121 tlogG= -0.611240 logG= -0.650360 Density= 3.419801 ETOT(band)= -1.555921 trlgG= -2.216405 logG= -0.650360 TDE= -4.393678 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038689 tlogG= -0.620734 logG= -0.659423 Density= 3.417035 ETOT(band)= -1.565812 trlgG= -2.232122 logG= -0.659423 TDE= -4.398046 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038718 tlogG= -0.625236 logG= -0.663954 Density= 3.416874 ETOT(band)= -1.569096 trlgG= -2.241421 logG= -0.663954 TDE= -4.402680 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038845 tlogG= -0.620108 logG= -0.658953 Density= 3.418019 ETOT(band)= -1.564220 trlgG= -2.230308 logG= -0.658953 TDE= -4.397515 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038880 tlogG= -0.617460 logG= -0.656340 Density= 3.417808 ETOT(band)= -1.562474 trlgG= -2.227431 logG= -0.656340 TDE= -4.397077 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039140 tlogG= -0.613027 logG= -0.652167 Density= 3.419418 ETOT(band)= -1.557540 trlgG= -2.220895 logG= -0.652167 TDE= -4.396045 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038583 tlogG= -0.625828 logG= -0.664411 Density= 3.416279 ETOT(band)= -1.570159 trlgG= -2.241581 logG= -0.664411 TDE= -4.401891 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038897 tlogG= -0.620314 logG= -0.659210 Density= 3.418557 ETOT(band)= -1.564065 trlgG= -2.230005 logG= -0.659210 TDE= -4.397399 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038956 tlogG= -0.620510 logG= -0.659466 Density= 3.419147 ETOT(band)= -1.563870 trlgG= -2.229696 logG= -0.659466 TDE= -4.397323 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038618 tlogG= -0.623053 logG= -0.661671 Density= 3.416712 ETOT(band)= -1.567821 trlgG= -2.236308 logG= -0.661671 TDE= -4.399717 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039058 tlogG= -0.614069 logG= -0.653126 Density= 3.419479 ETOT(band)= -1.558470 trlgG= -2.220589 logG= -0.653126 TDE= -4.394830 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038804 tlogG= -0.622105 logG= -0.660908 Density= 3.417495 ETOT(band)= -1.566164 trlgG= -2.235317 logG= -0.660908 TDE= -4.400135 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039362 tlogG= -0.609730 logG= -0.649092 Density= 3.420875 ETOT(band)= -1.553659 trlgG= -2.215476 logG= -0.649092 TDE= -4.394905 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 Sum of eigenvalues= -1021.47007230455 eV TrLogG= -1457.75138550463 eV Ratio to renormalize= 0.999628242888 rho-rho_expected= 0.060990840196 nargs= 1 argi=dmft2.def 11) Finished k-point number 12 1 with #bands= 107 34) Finished k-point number 35 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 44) Finished k-point number 45 1 with #bands= 107 12) Finished k-point number 13 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800617310213060 0.802547772139174 0.802453255816204 0.800187963434253 0.803080177072936 0.802415025675422 0.800912310018492 0.802411038328998 0.802556688665533 0.800823932270401 0.802612993104012 0.802458771055660 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038722 tlogG= -0.620479 logG= -0.659201 Density= 3.416891 ETOT(band)= -1.565683 trlgG= -2.232087 logG= -0.659201 TDE= -4.398113 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038576 tlogG= -0.627677 logG= -0.666252 Density= 3.416105 ETOT(band)= -1.571589 trlgG= -2.245073 logG= -0.666252 TDE= -4.403398 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038875 tlogG= -0.619923 logG= -0.658798 Density= 3.418087 ETOT(band)= -1.564110 trlgG= -2.230595 logG= -0.658798 TDE= -4.398013 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038987 tlogG= -0.617171 logG= -0.656158 Density= 3.418743 ETOT(band)= -1.561320 trlgG= -2.226443 logG= -0.656158 TDE= -4.397044 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038721 tlogG= -0.622363 logG= -0.661084 Density= 3.416716 ETOT(band)= -1.567178 trlgG= -2.236489 logG= -0.661084 TDE= -4.400488 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038732 tlogG= -0.620508 logG= -0.659240 Density= 3.417400 ETOT(band)= -1.565264 trlgG= -2.231473 logG= -0.659240 TDE= -4.397881 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038671 tlogG= -0.625681 logG= -0.664352 Density= 3.416833 ETOT(band)= -1.569558 trlgG= -2.240880 logG= -0.664352 TDE= -4.401708 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038837 tlogG= -0.619669 logG= -0.658507 Density= 3.417473 ETOT(band)= -1.564405 trlgG= -2.231056 logG= -0.658507 TDE= -4.398258 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038972 tlogG= -0.616269 logG= -0.655241 Density= 3.418642 ETOT(band)= -1.560806 trlgG= -2.225232 logG= -0.655241 TDE= -4.396665 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038915 tlogG= -0.616781 logG= -0.655696 Density= 3.418530 ETOT(band)= -1.561394 trlgG= -2.225122 logG= -0.655696 TDE= -4.396009 logGD-logG0= -0.038764 tlogG= -0.626527 logG= -0.665291 Density= 3.416669 ETOT(band)= -1.570067 trlgG= -2.245135 logG= -0.665291 TDE= -4.404888 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038583 tlogG= -0.625828 logG= -0.664411 Density= 3.416279 ETOT(band)= -1.570159 trlgG= -2.241580 logG= -0.664411 TDE= -4.401890 logGD-logG0= -0.038688 tlogG= -0.623580 logG= -0.662268 Density= 3.417013 ETOT(band)= -1.567867 trlgG= -2.237187 logG= -0.662268 TDE= -4.400247 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038791 tlogG= -0.622684 logG= -0.661476 Density= 3.417123 ETOT(band)= -1.566918 trlgG= -2.237135 logG= -0.661476 TDE= -4.401079 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038667 tlogG= -0.627121 logG= -0.665788 Density= 3.416369 ETOT(band)= -1.570861 trlgG= -2.245497 logG= -0.665788 TDE= -4.404504 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038828 tlogG= -0.622711 logG= -0.661539 Density= 3.418090 ETOT(band)= -1.566359 trlgG= -2.234518 logG= -0.661539 TDE= -4.399197 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038880 tlogG= -0.617460 logG= -0.656340 Density= 3.417808 ETOT(band)= -1.562473 trlgG= -2.227431 logG= -0.656340 TDE= -4.397076 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038845 tlogG= -0.620108 logG= -0.658953 Density= 3.418019 ETOT(band)= -1.564219 trlgG= -2.230307 logG= -0.658953 TDE= -4.397514 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038738 tlogG= -0.624866 logG= -0.663605 Density= 3.416630 ETOT(band)= -1.568990 trlgG= -2.241837 logG= -0.663605 TDE= -4.403244 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038966 tlogG= -0.614229 logG= -0.653195 Density= 3.418837 ETOT(band)= -1.559140 trlgG= -2.221230 logG= -0.653195 TDE= -4.394871 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038689 tlogG= -0.620734 logG= -0.659423 Density= 3.417035 ETOT(band)= -1.565811 trlgG= -2.232121 logG= -0.659423 TDE= -4.398045 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038814 tlogG= -0.622429 logG= -0.661243 Density= 3.417773 ETOT(band)= -1.566297 trlgG= -2.235005 logG= -0.661243 TDE= -4.399718 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038667 tlogG= -0.622731 logG= -0.661398 Density= 3.416708 ETOT(band)= -1.567529 trlgG= -2.236397 logG= -0.661398 TDE= -4.400075 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.039052 tlogG= -0.613643 logG= -0.652695 Density= 3.419129 ETOT(band)= -1.558356 trlgG= -2.221412 logG= -0.652695 TDE= -4.395794 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039120 tlogG= -0.611240 logG= -0.650360 Density= 3.419800 ETOT(band)= -1.555920 trlgG= -2.216404 logG= -0.650360 TDE= -4.393677 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038777 tlogG= -0.618244 logG= -0.657021 Density= 3.417783 ETOT(band)= -1.563242 trlgG= -2.227357 logG= -0.657021 TDE= -4.396300 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039058 tlogG= -0.614069 logG= -0.653126 Density= 3.419479 ETOT(band)= -1.558470 trlgG= -2.220588 logG= -0.653126 TDE= -4.394829 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038785 tlogG= -0.620109 logG= -0.658894 Density= 3.417429 ETOT(band)= -1.564863 trlgG= -2.231457 logG= -0.658894 TDE= -4.398235 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039199 tlogG= -0.612883 logG= -0.652081 Density= 3.419923 ETOT(band)= -1.556958 trlgG= -2.220395 logG= -0.652081 TDE= -4.396048 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038985 tlogG= -0.617543 logG= -0.656527 Density= 3.418962 ETOT(band)= -1.561554 trlgG= -2.226348 logG= -0.656527 TDE= -4.396760 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039362 tlogG= -0.609730 logG= -0.649092 Density= 3.420875 ETOT(band)= -1.553658 trlgG= -2.215475 logG= -0.649092 TDE= -4.394904 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038856 tlogG= -0.620299 logG= -0.659155 Density= 3.418218 ETOT(band)= -1.564393 trlgG= -2.230483 logG= -0.659155 TDE= -4.397652 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038897 tlogG= -0.620314 logG= -0.659210 Density= 3.418557 ETOT(band)= -1.564064 trlgG= -2.230004 logG= -0.659210 TDE= -4.397399 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038664 tlogG= -0.620977 logG= -0.659641 Density= 3.417189 ETOT(band)= -1.565922 trlgG= -2.232303 logG= -0.659641 TDE= -4.398136 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038771 tlogG= -0.624763 logG= -0.663534 Density= 3.416944 ETOT(band)= -1.568581 trlgG= -2.241373 logG= -0.663534 TDE= -4.403110 logGD-logG0= -0.038892 tlogG= -0.619508 logG= -0.658400 Density= 3.417987 ETOT(band)= -1.563763 trlgG= -2.230380 logG= -0.658400 TDE= -4.398114 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038660 tlogG= -0.625366 logG= -0.664026 Density= 3.416445 ETOT(band)= -1.569603 trlgG= -2.241994 logG= -0.664026 TDE= -4.402826 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038618 tlogG= -0.623053 logG= -0.661671 Density= 3.416712 ETOT(band)= -1.567820 trlgG= -2.236308 logG= -0.661671 TDE= -4.399716 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038739 tlogG= -0.623140 logG= -0.661879 Density= 3.417047 ETOT(band)= -1.567415 trlgG= -2.237226 logG= -0.661879 TDE= -4.400703 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039140 tlogG= -0.613027 logG= -0.652167 Density= 3.419418 ETOT(band)= -1.557539 trlgG= -2.220894 logG= -0.652167 TDE= -4.396044 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039127 tlogG= -0.613484 logG= -0.652611 Density= 3.419690 ETOT(band)= -1.557730 trlgG= -2.220834 logG= -0.652611 TDE= -4.395766 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038804 tlogG= -0.622105 logG= -0.660908 Density= 3.417494 ETOT(band)= -1.566163 trlgG= -2.235316 logG= -0.660908 TDE= -4.400134 logGD-logG0= -0.038830 tlogG= -0.617866 logG= -0.656696 Density= 3.417793 ETOT(band)= -1.562873 trlgG= -2.227545 logG= -0.656696 TDE= -4.396823 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038956 tlogG= -0.620510 logG= -0.659466 Density= 3.419147 ETOT(band)= -1.563869 trlgG= -2.229695 logG= -0.659466 TDE= -4.397322 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039034 tlogG= -0.615753 logG= -0.654787 Density= 3.418785 ETOT(band)= -1.560194 trlgG= -2.224922 logG= -0.654787 TDE= -4.396929 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039241 tlogG= -0.610522 logG= -0.649763 Density= 3.420326 ETOT(band)= -1.554840 trlgG= -2.216399 logG= -0.649763 TDE= -4.394702 logGD-logG0= -0.038718 tlogG= -0.625236 logG= -0.663954 Density= 3.416874 ETOT(band)= -1.569095 trlgG= -2.241420 logG= -0.663954 TDE= -4.402680 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038988 tlogG= -0.617897 logG= -0.656885 Density= 3.419204 ETOT(band)= -1.561751 trlgG= -2.225931 logG= -0.656885 TDE= -4.396186 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1021.46957558553 eV TrLogG= -1457.75072262979 eV Ratio to renormalize= 0.999628311796 rho-rho_expected= 0.060979530808 nargs= 1 argi=dmft2.def 13) Finished k-point number 14 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 23) Finished k-point number 24 1 with #bands= 107 47) Finished k-point number 48 1 with #bands= 104 14) Finished k-point number 15 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 19) Finished k-point number 20 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 43) Finished k-point number 44 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800617150552728 0.802547721259480 0.802453375934895 0.800187803080523 0.803080112224185 0.802415160478170 0.800912151328742 0.802410984589274 0.802556810976709 0.800823774737981 0.802612939028385 0.802458893399366 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038732 tlogG= -0.620508 logG= -0.659240 Density= 3.417400 ETOT(band)= -1.565264 trlgG= -2.231472 logG= -0.659240 TDE= -4.397881 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038791 tlogG= -0.622684 logG= -0.661475 Density= 3.417123 ETOT(band)= -1.566918 trlgG= -2.237135 logG= -0.661475 TDE= -4.401078 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038671 tlogG= -0.625680 logG= -0.664351 Density= 3.416833 ETOT(band)= -1.569557 trlgG= -2.240880 logG= -0.664351 TDE= -4.401708 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038738 tlogG= -0.624866 logG= -0.663605 Density= 3.416630 ETOT(band)= -1.568990 trlgG= -2.241836 logG= -0.663605 TDE= -4.403243 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038828 tlogG= -0.622711 logG= -0.661539 Density= 3.418090 ETOT(band)= -1.566358 trlgG= -2.234517 logG= -0.661539 TDE= -4.399197 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038956 tlogG= -0.620510 logG= -0.659465 Density= 3.419147 ETOT(band)= -1.563868 trlgG= -2.229694 logG= -0.659465 TDE= -4.397321 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038966 tlogG= -0.614229 logG= -0.653195 Density= 3.418837 ETOT(band)= -1.559140 trlgG= -2.221229 logG= -0.653195 TDE= -4.394870 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038575 tlogG= -0.627676 logG= -0.666252 Density= 3.416104 ETOT(band)= -1.571589 trlgG= -2.245072 logG= -0.666252 TDE= -4.403397 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.039241 tlogG= -0.610522 logG= -0.649763 Density= 3.420325 ETOT(band)= -1.554840 trlgG= -2.216398 logG= -0.649763 TDE= -4.394702 logGD-logG0= -0.038972 tlogG= -0.616269 logG= -0.655241 Density= 3.418642 ETOT(band)= -1.560805 trlgG= -2.225231 logG= -0.655241 TDE= -4.396665 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038814 tlogG= -0.622429 logG= -0.661243 Density= 3.417773 ETOT(band)= -1.566297 trlgG= -2.235004 logG= -0.661243 TDE= -4.399718 logGD-logG0= -0.038664 tlogG= -0.620977 logG= -0.659641 Density= 3.417189 ETOT(band)= -1.565922 trlgG= -2.232302 logG= -0.659641 TDE= -4.398135 logGD-logG0= -0.038688 tlogG= -0.623579 logG= -0.662268 Density= 3.417013 ETOT(band)= -1.567866 trlgG= -2.237186 logG= -0.662268 TDE= -4.400246 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038804 tlogG= -0.622104 logG= -0.660908 Density= 3.417494 ETOT(band)= -1.566163 trlgG= -2.235316 logG= -0.660908 TDE= -4.400134 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038915 tlogG= -0.616781 logG= -0.655695 Density= 3.418530 ETOT(band)= -1.561394 trlgG= -2.225122 logG= -0.655695 TDE= -4.396009 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038856 tlogG= -0.620299 logG= -0.659155 Density= 3.418218 ETOT(band)= -1.564392 trlgG= -2.230482 logG= -0.659155 TDE= -4.397652 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038722 tlogG= -0.620479 logG= -0.659201 Density= 3.416891 ETOT(band)= -1.565682 trlgG= -2.232086 logG= -0.659201 TDE= -4.398113 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038721 tlogG= -0.622362 logG= -0.661084 Density= 3.416716 ETOT(band)= -1.567178 trlgG= -2.236489 logG= -0.661084 TDE= -4.400487 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038845 tlogG= -0.620108 logG= -0.658952 Density= 3.418019 ETOT(band)= -1.564219 trlgG= -2.230307 logG= -0.658952 TDE= -4.397514 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039052 tlogG= -0.613642 logG= -0.652695 Density= 3.419128 ETOT(band)= -1.558355 trlgG= -2.221411 logG= -0.652695 TDE= -4.395794 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039362 tlogG= -0.609730 logG= -0.649092 logGD-logG0= -0.038764 tlogG= -0.626527 logG= -0.665291 Density= 3.416669 ETOT(band)= -1.570067 trlgG= -2.245135 logG= -0.665291 TDE= -4.404888 Density= 3.420875 ETOT(band)= -1.553658 trlgG= -2.215474 logG= -0.649092 TDE= -4.394904 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038777 tlogG= -0.618244 logG= -0.657021 Density= 3.417783 ETOT(band)= -1.563242 trlgG= -2.227356 logG= -0.657021 TDE= -4.396300 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038987 tlogG= -0.617171 logG= -0.656157 Density= 3.418742 ETOT(band)= -1.561320 trlgG= -2.226443 logG= -0.656157 TDE= -4.397044 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038771 tlogG= -0.624763 logG= -0.663534 Density= 3.416944 ETOT(band)= -1.568580 trlgG= -2.241372 logG= -0.663534 TDE= -4.403109 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038837 tlogG= -0.619669 logG= -0.658506 Density= 3.417473 ETOT(band)= -1.564405 trlgG= -2.231056 logG= -0.658506 TDE= -4.398258 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038583 tlogG= -0.625827 logG= -0.664410 Density= 3.416278 ETOT(band)= -1.570158 trlgG= -2.241579 logG= -0.664410 TDE= -4.401890 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038667 tlogG= -0.627121 logG= -0.665788 Density= 3.416368 ETOT(band)= -1.570861 trlgG= -2.245496 logG= -0.665788 TDE= -4.404504 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038896 tlogG= -0.620313 logG= -0.659210 Density= 3.418557 ETOT(band)= -1.564064 trlgG= -2.230003 logG= -0.659210 TDE= -4.397398 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039199 tlogG= -0.612882 logG= -0.652081 Density= 3.419923 ETOT(band)= -1.556958 trlgG= -2.220394 logG= -0.652081 TDE= -4.396048 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038718 tlogG= -0.625235 logG= -0.663953 Density= 3.416874 ETOT(band)= -1.569095 trlgG= -2.241419 logG= -0.663953 TDE= -4.402679 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039127 tlogG= -0.613483 logG= -0.652610 Density= 3.419690 ETOT(band)= -1.557730 trlgG= -2.220834 logG= -0.652610 TDE= -4.395765 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039033 tlogG= -0.615753 logG= -0.654787 Density= 3.418785 ETOT(band)= -1.560194 trlgG= -2.224921 logG= -0.654787 TDE= -4.396929 logGD-logG0= -0.038667 tlogG= -0.622731 logG= -0.661397 Density= 3.416707 ETOT(band)= -1.567529 trlgG= -2.236396 logG= -0.661397 TDE= -4.400075 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038689 tlogG= -0.620733 logG= -0.659422 Density= 3.417035 ETOT(band)= -1.565811 trlgG= -2.232120 logG= -0.659422 TDE= -4.398044 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038785 tlogG= -0.620109 logG= -0.658894 Density= 3.417429 ETOT(band)= -1.564863 trlgG= -2.231456 logG= -0.658894 TDE= -4.398235 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038988 tlogG= -0.617897 logG= -0.656884 Density= 3.419204 ETOT(band)= -1.561751 trlgG= -2.225930 logG= -0.656884 TDE= -4.396186 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038875 tlogG= -0.619923 logG= -0.658798 Density= 3.418086 ETOT(band)= -1.564110 trlgG= -2.230595 logG= -0.658798 TDE= -4.398013 logGD-logG0= -0.038618 tlogG= -0.623053 logG= -0.661670 Density= 3.416712 ETOT(band)= -1.567820 trlgG= -2.236307 logG= -0.661670 TDE= -4.399716 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038739 tlogG= -0.623140 logG= -0.661879 Density= 3.417047 ETOT(band)= -1.567414 trlgG= -2.237225 logG= -0.661879 TDE= -4.400703 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039120 tlogG= -0.611239 logG= -0.650360 Density= 3.419800 ETOT(band)= -1.555920 trlgG= -2.216403 logG= -0.650360 TDE= -4.393676 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038985 tlogG= -0.617542 logG= -0.656527 Density= 3.418961 ETOT(band)= -1.561554 trlgG= -2.226347 logG= -0.656527 TDE= -4.396759 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038880 tlogG= -0.617459 logG= -0.656340 Density= 3.417808 ETOT(band)= -1.562473 trlgG= -2.227430 logG= -0.656340 TDE= -4.397075 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039058 tlogG= -0.614068 logG= -0.653126 Density= 3.419479 ETOT(band)= -1.558469 trlgG= -2.220587 logG= -0.653126 TDE= -4.394828 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039140 tlogG= -0.613027 logG= -0.652167 Density= 3.419418 ETOT(band)= -1.557539 trlgG= -2.220893 logG= -0.652167 TDE= -4.396043 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038830 tlogG= -0.617866 logG= -0.656696 Density= 3.417793 ETOT(band)= -1.562873 trlgG= -2.227545 logG= -0.656696 TDE= -4.396822 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038660 tlogG= -0.625366 logG= -0.664026 Density= 3.416445 ETOT(band)= -1.569603 trlgG= -2.241993 logG= -0.664026 TDE= -4.402826 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038892 tlogG= -0.619508 logG= -0.658399 Density= 3.417987 ETOT(band)= -1.563763 trlgG= -2.230380 logG= -0.658399 TDE= -4.398114 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 Sum of eigenvalues= -1021.46936248062 eV TrLogG= -1457.75020450422 eV Ratio to renormalize= 0.999628348253 rho-rho_expected= 0.060973547426 nargs= 1 argi=dmft2.def 39) Finished k-point number 40 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 34) Finished k-point number 35 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 32) Finished k-point number 33 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 17) Finished k-point number 18 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 2) Finished k-point number 3 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800617013977895 0.802547577538735 0.802453179530780 0.800187665565592 0.803079956947099 0.802414977994541 0.800912014898280 0.802410840253707 0.802556616005633 0.800823640835422 0.802612792732792 0.802458698894992 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038855 tlogG= -0.620299 logG= -0.659154 Density= 3.418218 ETOT(band)= -1.564392 trlgG= -2.230481 logG= -0.659154 TDE= -4.397651 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038722 tlogG= -0.620478 logG= -0.659200 Density= 3.416891 ETOT(band)= -1.565682 trlgG= -2.232085 logG= -0.659200 TDE= -4.398112 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039033 tlogG= -0.615753 logG= -0.654786 Density= 3.418785 ETOT(band)= -1.560194 trlgG= -2.224921 logG= -0.654786 TDE= -4.396928 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038688 tlogG= -0.623579 logG= -0.662267 Density= 3.417013 ETOT(band)= -1.567866 trlgG= -2.237185 logG= -0.662267 TDE= -4.400246 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038732 tlogG= -0.620507 logG= -0.659239 Density= 3.417400 ETOT(band)= -1.565263 trlgG= -2.231471 logG= -0.659239 TDE= -4.397880 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038764 tlogG= -0.626527 logG= -0.665290 Density= 3.416669 ETOT(band)= -1.570067 trlgG= -2.245134 logG= -0.665290 TDE= -4.404887 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038837 tlogG= -0.619669 logG= -0.658506 Density= 3.417473 ETOT(band)= -1.564404 trlgG= -2.231055 logG= -0.658506 TDE= -4.398257 logGD-logG0= -0.038972 tlogG= -0.616269 logG= -0.655241 Density= 3.418642 ETOT(band)= -1.560805 trlgG= -2.225230 logG= -0.655241 TDE= -4.396664 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038988 tlogG= -0.617896 logG= -0.656884 Density= 3.419204 ETOT(band)= -1.561750 trlgG= -2.225929 logG= -0.656884 TDE= -4.396185 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038813 tlogG= -0.622429 logG= -0.661242 Density= 3.417773 ETOT(band)= -1.566296 trlgG= -2.235003 logG= -0.661242 TDE= -4.399717 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039052 tlogG= -0.613642 logG= -0.652694 Density= 3.419128 ETOT(band)= -1.558355 trlgG= -2.221410 logG= -0.652694 TDE= -4.395793 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038575 tlogG= -0.627676 logG= -0.666251 Density= 3.416104 ETOT(band)= -1.571588 trlgG= -2.245071 logG= -0.666251 TDE= -4.403397 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038721 tlogG= -0.622362 logG= -0.661083 Density= 3.416715 ETOT(band)= -1.567178 trlgG= -2.236488 logG= -0.661083 TDE= -4.400487 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038966 tlogG= -0.614229 logG= -0.653194 Density= 3.418837 ETOT(band)= -1.559139 trlgG= -2.221228 logG= -0.653194 TDE= -4.394870 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038738 tlogG= -0.624866 logG= -0.663604 Density= 3.416630 ETOT(band)= -1.568989 trlgG= -2.241835 logG= -0.663604 TDE= -4.403243 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038671 tlogG= -0.625680 logG= -0.664351 Density= 3.416833 ETOT(band)= -1.569557 trlgG= -2.240879 logG= -0.664351 TDE= -4.401707 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038666 tlogG= -0.622730 logG= -0.661397 Density= 3.416707 ETOT(band)= -1.567529 trlgG= -2.236395 logG= -0.661397 TDE= -4.400074 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.039199 tlogG= -0.612882 logG= -0.652081 Density= 3.419923 ETOT(band)= -1.556957 trlgG= -2.220393 logG= -0.652081 TDE= -4.396047 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038785 tlogG= -0.620109 logG= -0.658894 Density= 3.417429 ETOT(band)= -1.564863 trlgG= -2.231455 logG= -0.658894 TDE= -4.398234 logGD-logG0= -0.038892 tlogG= -0.619507 logG= -0.658399 Density= 3.417987 ETOT(band)= -1.563763 trlgG= -2.230379 logG= -0.658399 TDE= -4.398113 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038915 tlogG= -0.616780 logG= -0.655695 Density= 3.418530 ETOT(band)= -1.561393 trlgG= -2.225121 logG= -0.655695 TDE= -4.396008 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038874 tlogG= -0.619923 logG= -0.658797 Density= 3.418086 ETOT(band)= -1.564110 trlgG= -2.230594 logG= -0.658797 TDE= -4.398012 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038718 tlogG= -0.625235 logG= -0.663953 Density= 3.416874 ETOT(band)= -1.569095 trlgG= -2.241418 logG= -0.663953 TDE= -4.402678 logGD-logG0= -0.039057 tlogG= -0.614068 logG= -0.653125 Density= 3.419478 ETOT(band)= -1.558469 trlgG= -2.220586 logG= -0.653125 TDE= -4.394828 logGD-logG0= -0.038618 tlogG= -0.623052 logG= -0.661670 Density= 3.416711 ETOT(band)= -1.567820 trlgG= -2.236306 logG= -0.661670 TDE= -4.399715 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038777 tlogG= -0.618243 logG= -0.657021 Density= 3.417783 ETOT(band)= -1.563241 trlgG= -2.227355 logG= -0.657021 TDE= -4.396299 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038828 tlogG= -0.622710 logG= -0.661538 Density= 3.418090 ETOT(band)= -1.566358 trlgG= -2.234516 logG= -0.661538 TDE= -4.399196 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038689 tlogG= -0.620733 logG= -0.659422 Density= 3.417035 ETOT(band)= -1.565811 trlgG= -2.232120 logG= -0.659422 TDE= -4.398044 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038804 tlogG= -0.622104 logG= -0.660908 Density= 3.417494 ETOT(band)= -1.566162 trlgG= -2.235315 logG= -0.660908 TDE= -4.400133 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038583 tlogG= -0.625827 logG= -0.664410 Density= 3.416278 ETOT(band)= -1.570158 trlgG= -2.241579 logG= -0.664410 TDE= -4.401889 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038956 tlogG= -0.620509 logG= -0.659465 Density= 3.419147 ETOT(band)= -1.563868 trlgG= -2.229693 logG= -0.659465 TDE= -4.397321 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039362 tlogG= -0.609730 logG= -0.649091 Density= 3.420874 ETOT(band)= -1.553658 trlgG= -2.215473 logG= -0.649091 TDE= -4.394903 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038664 tlogG= -0.620977 logG= -0.659640 Density= 3.417189 ETOT(band)= -1.565921 trlgG= -2.232301 logG= -0.659640 TDE= -4.398135 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038845 tlogG= -0.620107 logG= -0.658952 Density= 3.418019 ETOT(band)= -1.564218 trlgG= -2.230306 logG= -0.658952 TDE= -4.397513 logGD-logG0= -0.038987 tlogG= -0.617170 logG= -0.656157 Density= 3.418742 ETOT(band)= -1.561319 trlgG= -2.226442 logG= -0.656157 TDE= -4.397043 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039120 tlogG= -0.611239 logG= -0.650359 Density= 3.419800 ETOT(band)= -1.555919 trlgG= -2.216402 logG= -0.650359 TDE= -4.393676 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039241 tlogG= -0.610521 logG= -0.649763 Density= 3.420325 ETOT(band)= -1.554839 trlgG= -2.216397 logG= -0.649763 TDE= -4.394701 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038667 tlogG= -0.627120 logG= -0.665787 Density= 3.416368 ETOT(band)= -1.570860 trlgG= -2.245495 logG= -0.665787 TDE= -4.404503 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038771 tlogG= -0.624762 logG= -0.663534 Density= 3.416944 ETOT(band)= -1.568580 trlgG= -2.241371 logG= -0.663534 TDE= -4.403109 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038739 tlogG= -0.623140 logG= -0.661879 Density= 3.417047 ETOT(band)= -1.567414 trlgG= -2.237225 logG= -0.661879 TDE= -4.400702 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038660 tlogG= -0.625366 logG= -0.664025 Density= 3.416445 ETOT(band)= -1.569603 trlgG= -2.241992 logG= -0.664025 TDE= -4.402825 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038791 tlogG= -0.622684 logG= -0.661475 Density= 3.417123 ETOT(band)= -1.566917 trlgG= -2.237134 logG= -0.661475 TDE= -4.401078 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039140 tlogG= -0.613026 logG= -0.652166 Density= 3.419418 ETOT(band)= -1.557538 trlgG= -2.220893 logG= -0.652166 TDE= -4.396043 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038830 tlogG= -0.617865 logG= -0.656696 Density= 3.417793 ETOT(band)= -1.562873 trlgG= -2.227544 logG= -0.656696 TDE= -4.396822 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038985 tlogG= -0.617542 logG= -0.656527 Density= 3.418961 ETOT(band)= -1.561553 trlgG= -2.226346 logG= -0.656527 TDE= -4.396759 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038896 tlogG= -0.620313 logG= -0.659209 Density= 3.418557 ETOT(band)= -1.564064 trlgG= -2.230002 logG= -0.659209 TDE= -4.397398 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038880 tlogG= -0.617459 logG= -0.656339 Density= 3.417807 ETOT(band)= -1.562472 trlgG= -2.227429 logG= -0.656339 TDE= -4.397075 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039127 tlogG= -0.613483 logG= -0.652610 Density= 3.419690 ETOT(band)= -1.557729 trlgG= -2.220833 logG= -0.652610 TDE= -4.395765 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1021.46906535747 eV TrLogG= -1457.74959154416 eV Ratio to renormalize= 0.999628390933 rho-rho_expected= 0.060966542774 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 35) Finished k-point number 36 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 37) Finished k-point number 38 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 9) Finished k-point number 10 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 12) Finished k-point number 13 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800613793572106 0.802544234357531 0.802449554669664 0.800184424588287 0.803076477405127 0.802411551458335 0.800908791076406 0.802407495129218 0.802553019559584 0.800820451627787 0.802609424653980 0.802455102884884 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038914 tlogG= -0.616779 logG= -0.655693 Density= 3.418526 ETOT(band)= -1.561386 trlgG= -2.225111 logG= -0.655693 TDE= -4.395998 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038776 tlogG= -0.618242 logG= -0.657019 Density= 3.417780 ETOT(band)= -1.563234 trlgG= -2.227346 logG= -0.657019 TDE= -4.396289 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038813 tlogG= -0.622428 logG= -0.661240 Density= 3.417770 ETOT(band)= -1.566289 trlgG= -2.234994 logG= -0.661240 TDE= -4.399707 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038663 tlogG= -0.620975 logG= -0.659638 Density= 3.417186 ETOT(band)= -1.565914 trlgG= -2.232292 logG= -0.659638 TDE= -4.398125 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038827 tlogG= -0.622709 logG= -0.661536 Density= 3.418087 ETOT(band)= -1.566350 trlgG= -2.234507 logG= -0.661536 TDE= -4.399187 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038855 tlogG= -0.620298 logG= -0.659152 Density= 3.418215 ETOT(band)= -1.564385 trlgG= -2.230472 logG= -0.659152 TDE= -4.397642 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038896 tlogG= -0.620312 logG= -0.659207 Density= 3.418554 ETOT(band)= -1.564056 trlgG= -2.229993 logG= -0.659207 TDE= -4.397388 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038874 tlogG= -0.619922 logG= -0.658795 Density= 3.418083 ETOT(band)= -1.564102 trlgG= -2.230584 logG= -0.658795 TDE= -4.398002 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038986 tlogG= -0.617169 logG= -0.656155 Density= 3.418739 ETOT(band)= -1.561312 trlgG= -2.226432 logG= -0.656155 TDE= -4.397033 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038971 tlogG= -0.616268 logG= -0.655239 Density= 3.418639 ETOT(band)= -1.560798 trlgG= -2.225220 logG= -0.655239 TDE= -4.396654 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038670 tlogG= -0.625679 logG= -0.664349 Density= 3.416830 ETOT(band)= -1.569549 trlgG= -2.240870 logG= -0.664349 TDE= -4.401697 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.039051 tlogG= -0.613641 logG= -0.652692 Density= 3.419125 ETOT(band)= -1.558348 trlgG= -2.221400 logG= -0.652692 TDE= -4.395783 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038763 tlogG= -0.626526 logG= -0.665288 Density= 3.416666 ETOT(band)= -1.570059 trlgG= -2.245124 logG= -0.665288 TDE= -4.404877 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038666 tlogG= -0.627119 logG= -0.665786 logGD-logG0= -0.038731 tlogG= -0.620506 logG= -0.659238 Density= 3.417397 ETOT(band)= -1.565256 trlgG= -2.231462 logG= -0.659238 TDE= -4.397870 Density= 3.416365 ETOT(band)= -1.570853 trlgG= -2.245486 logG= -0.665786 TDE= -4.404493 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039057 tlogG= -0.614067 logG= -0.653124 Density= 3.419475 ETOT(band)= -1.558462 trlgG= -2.220576 logG= -0.653124 TDE= -4.394817 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038720 tlogG= -0.622361 logG= -0.661081 Density= 3.416712 ETOT(band)= -1.567170 trlgG= -2.236478 logG= -0.661081 TDE= -4.400477 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038659 tlogG= -0.625365 logG= -0.664023 Density= 3.416442 ETOT(band)= -1.569595 trlgG= -2.241983 logG= -0.664023 TDE= -4.402816 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038666 tlogG= -0.622729 logG= -0.661395 Density= 3.416704 ETOT(band)= -1.567521 trlgG= -2.236386 logG= -0.661395 TDE= -4.400064 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038965 tlogG= -0.614228 logG= -0.653193 Density= 3.418834 ETOT(band)= -1.559132 trlgG= -2.221218 logG= -0.653193 TDE= -4.394859 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039361 tlogG= -0.609729 logG= -0.649090 Density= 3.420871 ETOT(band)= -1.553651 trlgG= -2.215464 logG= -0.649090 TDE= -4.394892 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038721 tlogG= -0.620477 logG= -0.659198 Density= 3.416888 ETOT(band)= -1.565675 trlgG= -2.232076 logG= -0.659198 TDE= -4.398103 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038803 tlogG= -0.622103 logG= -0.660906 Density= 3.417491 ETOT(band)= -1.566155 trlgG= -2.235305 logG= -0.660906 TDE= -4.400123 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038737 tlogG= -0.624865 logG= -0.663602 Density= 3.416627 ETOT(band)= -1.568982 trlgG= -2.241826 logG= -0.663602 TDE= -4.403233 logGD-logG0= -0.038582 tlogG= -0.625826 logG= -0.664408 Density= 3.416275 ETOT(band)= -1.570151 trlgG= -2.241570 logG= -0.664408 TDE= -4.401880 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038687 tlogG= -0.623578 logG= -0.662265 Density= 3.417010 ETOT(band)= -1.567859 trlgG= -2.237176 logG= -0.662265 TDE= -4.400236 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039198 tlogG= -0.612881 logG= -0.652079 Density= 3.419920 ETOT(band)= -1.556950 trlgG= -2.220383 logG= -0.652079 TDE= -4.396037 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038575 tlogG= -0.627675 logG= -0.666249 Density= 3.416101 ETOT(band)= -1.571581 trlgG= -2.245062 logG= -0.666249 TDE= -4.403387 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.039139 tlogG= -0.613025 logG= -0.652164 Density= 3.419414 ETOT(band)= -1.557531 trlgG= -2.220883 logG= -0.652164 TDE= -4.396032 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038829 tlogG= -0.617864 logG= -0.656694 Density= 3.417790 ETOT(band)= -1.562865 trlgG= -2.227534 logG= -0.656694 TDE= -4.396811 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038717 tlogG= -0.625234 logG= -0.663951 Density= 3.416871 ETOT(band)= -1.569087 trlgG= -2.241409 logG= -0.663951 TDE= -4.402669 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038790 tlogG= -0.622683 logG= -0.661473 Density= 3.417120 ETOT(band)= -1.566910 trlgG= -2.237125 logG= -0.661473 TDE= -4.401068 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038738 tlogG= -0.623139 logG= -0.661877 Density= 3.417044 ETOT(band)= -1.567407 trlgG= -2.237215 logG= -0.661877 TDE= -4.400693 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038984 tlogG= -0.617541 logG= -0.656525 Density= 3.418958 ETOT(band)= -1.561546 trlgG= -2.226336 logG= -0.656525 TDE= -4.396748 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038688 tlogG= -0.620732 logG= -0.659420 Density= 3.417032 ETOT(band)= -1.565803 trlgG= -2.232111 logG= -0.659420 TDE= -4.398034 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038844 tlogG= -0.620106 logG= -0.658950 Density= 3.418016 ETOT(band)= -1.564211 trlgG= -2.230296 logG= -0.658950 TDE= -4.397504 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038891 tlogG= -0.619506 logG= -0.658397 Density= 3.417984 ETOT(band)= -1.563755 trlgG= -2.230369 logG= -0.658397 TDE= -4.398103 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038987 tlogG= -0.617895 logG= -0.656882 Density= 3.419201 ETOT(band)= -1.561743 trlgG= -2.225920 logG= -0.656882 TDE= -4.396175 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039119 tlogG= -0.611238 logG= -0.650357 Density= 3.419797 ETOT(band)= -1.555912 trlgG= -2.216392 logG= -0.650357 TDE= -4.393665 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038784 tlogG= -0.620108 logG= -0.658892 Density= 3.417426 ETOT(band)= -1.564855 trlgG= -2.231446 logG= -0.658892 TDE= -4.398224 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039240 tlogG= -0.610520 logG= -0.649761 Density= 3.420322 ETOT(band)= -1.554832 trlgG= -2.216387 logG= -0.649761 TDE= -4.394691 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039032 tlogG= -0.615752 logG= -0.654784 Density= 3.418782 ETOT(band)= -1.560186 trlgG= -2.224910 logG= -0.654784 TDE= -4.396917 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038836 tlogG= -0.619668 logG= -0.658504 Density= 3.417470 ETOT(band)= -1.564397 trlgG= -2.231046 logG= -0.658504 TDE= -4.398248 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038617 tlogG= -0.623051 logG= -0.661668 Density= 3.416708 ETOT(band)= -1.567812 trlgG= -2.236297 logG= -0.661668 TDE= -4.399706 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039126 tlogG= -0.613482 logG= -0.652608 Density= 3.419687 ETOT(band)= -1.557722 trlgG= -2.220823 logG= -0.652608 TDE= -4.395754 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038955 tlogG= -0.620508 logG= -0.659463 Density= 3.419144 ETOT(band)= -1.563861 trlgG= -2.229684 logG= -0.659463 TDE= -4.397312 logGD-logG0= -0.038770 tlogG= -0.624761 logG= -0.663532 Density= 3.416941 ETOT(band)= -1.568573 trlgG= -2.241362 logG= -0.663532 TDE= -4.403099 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038879 tlogG= -0.617458 logG= -0.656337 Density= 3.417804 ETOT(band)= -1.562465 trlgG= -2.227419 logG= -0.656337 TDE= -4.397064 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 Sum of eigenvalues= -1021.46432151417 eV TrLogG= -1457.74175384309 eV Ratio to renormalize= 0.999629284456 rho-rho_expected= 0.060819896098 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 35) Finished k-point number 36 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 36) Finished k-point number 37 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 44) Finished k-point number 45 1 with #bands= 107 21) Finished k-point number 22 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800610699103938 0.802540730427464 0.802446368704859 0.800181301053464 0.803072931995376 0.802408470697268 0.800905695800976 0.802403994742227 0.802549851909613 0.800817382644792 0.802605911910703 0.802451935084216 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038775 tlogG= -0.618243 logG= -0.657018 Density= 3.417777 ETOT(band)= -1.563230 trlgG= -2.227340 logG= -0.657018 TDE= -4.396283 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038762 tlogG= -0.626526 logG= -0.665288 Density= 3.416663 ETOT(band)= -1.570055 trlgG= -2.245119 logG= -0.665288 TDE= -4.404870 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038890 tlogG= -0.619506 logG= -0.658396 Density= 3.417981 ETOT(band)= -1.563751 trlgG= -2.230364 logG= -0.658396 TDE= -4.398096 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038854 tlogG= -0.620298 logG= -0.659152 Density= 3.418213 ETOT(band)= -1.564380 trlgG= -2.230467 logG= -0.659152 TDE= -4.397635 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038720 tlogG= -0.620477 logG= -0.659198 Density= 3.416885 ETOT(band)= -1.565670 trlgG= -2.232071 logG= -0.659198 TDE= -4.398096 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038669 tlogG= -0.625679 logG= -0.664349 Density= 3.416828 ETOT(band)= -1.569545 trlgG= -2.240865 logG= -0.664349 TDE= -4.401691 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038719 tlogG= -0.622361 logG= -0.661081 Density= 3.416710 ETOT(band)= -1.567166 trlgG= -2.236473 logG= -0.661081 TDE= -4.400470 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038769 tlogG= -0.624762 logG= -0.663531 Density= 3.416938 ETOT(band)= -1.568568 trlgG= -2.241357 logG= -0.663531 TDE= -4.403092 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039051 tlogG= -0.613641 logG= -0.652692 Density= 3.419123 ETOT(band)= -1.558343 trlgG= -2.221395 logG= -0.652692 TDE= -4.395775 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038913 tlogG= -0.616779 logG= -0.655693 Density= 3.418524 ETOT(band)= -1.561381 trlgG= -2.225106 logG= -0.655693 TDE= -4.395991 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039360 tlogG= -0.609729 logG= -0.649089 Density= 3.420869 ETOT(band)= -1.553646 trlgG= -2.215458 logG= -0.649089 TDE= -4.394885 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038970 tlogG= -0.616268 logG= -0.655238 Density= 3.418636 ETOT(band)= -1.560793 trlgG= -2.225214 logG= -0.655238 TDE= -4.396646 logGD-logG0= -0.038828 tlogG= -0.617864 logG= -0.656693 Density= 3.417788 ETOT(band)= -1.562861 trlgG= -2.227528 logG= -0.656693 TDE= -4.396804 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038826 tlogG= -0.622709 logG= -0.661536 Density= 3.418084 ETOT(band)= -1.566346 trlgG= -2.234502 logG= -0.661536 TDE= -4.399180 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038737 tlogG= -0.624865 logG= -0.663602 Density= 3.416624 ETOT(band)= -1.568977 trlgG= -2.241821 logG= -0.663602 TDE= -4.403226 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038873 tlogG= -0.619922 logG= -0.658795 Density= 3.418081 ETOT(band)= -1.564098 trlgG= -2.230579 logG= -0.658795 TDE= -4.397996 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039125 tlogG= -0.613482 logG= -0.652607 Density= 3.419684 ETOT(band)= -1.557717 trlgG= -2.220817 logG= -0.652607 TDE= -4.395747 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038662 tlogG= -0.620976 logG= -0.659638 Density= 3.417184 ETOT(band)= -1.565909 trlgG= -2.232288 logG= -0.659638 TDE= -4.398119 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.038964 tlogG= -0.614228 logG= -0.653192 Density= 3.418831 ETOT(band)= -1.559127 trlgG= -2.221213 logG= -0.653192 TDE= -4.394852 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038574 tlogG= -0.627675 logG= -0.666249 Density= 3.416099 ETOT(band)= -1.571576 trlgG= -2.245057 logG= -0.666249 TDE= -4.403380 logGD-logG0= -0.038836 tlogG= -0.619668 logG= -0.658503 Density= 3.417467 ETOT(band)= -1.564392 trlgG= -2.231041 logG= -0.658503 TDE= -4.398241 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038687 tlogG= -0.620732 logG= -0.659419 Density= 3.417029 ETOT(band)= -1.565799 trlgG= -2.232106 logG= -0.659419 TDE= -4.398028 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038895 tlogG= -0.620312 logG= -0.659207 Density= 3.418551 ETOT(band)= -1.564052 trlgG= -2.229988 logG= -0.659207 TDE= -4.397382 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038802 tlogG= -0.622103 logG= -0.660905 Density= 3.417489 ETOT(band)= -1.566150 trlgG= -2.235300 logG= -0.660905 TDE= -4.400117 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038716 tlogG= -0.625234 logG= -0.663950 Density= 3.416868 ETOT(band)= -1.569083 trlgG= -2.241404 logG= -0.663950 TDE= -4.402662 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038783 tlogG= -0.620108 logG= -0.658891 Density= 3.417424 ETOT(band)= -1.564851 trlgG= -2.231441 logG= -0.658891 TDE= -4.398218 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038616 tlogG= -0.623051 logG= -0.661667 Density= 3.416706 ETOT(band)= -1.567808 trlgG= -2.236293 logG= -0.661667 TDE= -4.399700 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038812 tlogG= -0.622428 logG= -0.661240 Density= 3.417767 ETOT(band)= -1.566284 trlgG= -2.234989 logG= -0.661240 TDE= -4.399701 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039119 tlogG= -0.611238 logG= -0.650357 Density= 3.419794 ETOT(band)= -1.555908 trlgG= -2.216386 logG= -0.650357 TDE= -4.393658 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038985 tlogG= -0.617169 logG= -0.656154 Density= 3.418737 ETOT(band)= -1.561307 trlgG= -2.226426 logG= -0.656154 TDE= -4.397026 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038687 tlogG= -0.623578 logG= -0.662265 Density= 3.417007 ETOT(band)= -1.567854 trlgG= -2.237171 logG= -0.662265 TDE= -4.400230 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038730 tlogG= -0.620507 logG= -0.659237 Density= 3.417394 ETOT(band)= -1.565251 trlgG= -2.231457 logG= -0.659237 TDE= -4.397864 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038666 tlogG= -0.627119 logG= -0.665785 Density= 3.416363 ETOT(band)= -1.570849 trlgG= -2.245481 logG= -0.665785 TDE= -4.404487 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038790 tlogG= -0.622683 logG= -0.661473 Density= 3.417117 ETOT(band)= -1.566906 trlgG= -2.237119 logG= -0.661473 TDE= -4.401061 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039240 tlogG= -0.610521 logG= -0.649760 Density= 3.420320 ETOT(band)= -1.554828 trlgG= -2.216381 logG= -0.649760 TDE= -4.394683 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039056 tlogG= -0.614067 logG= -0.653123 Density= 3.419473 ETOT(band)= -1.558457 trlgG= -2.220571 logG= -0.653123 TDE= -4.394810 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038986 tlogG= -0.617895 logG= -0.656881 Density= 3.419198 ETOT(band)= -1.561738 trlgG= -2.225915 logG= -0.656881 TDE= -4.396168 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038658 tlogG= -0.625365 logG= -0.664023 Density= 3.416440 ETOT(band)= -1.569591 trlgG= -2.241977 logG= -0.664023 TDE= -4.402809 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038879 tlogG= -0.617458 logG= -0.656337 Density= 3.417802 ETOT(band)= -1.562461 trlgG= -2.227413 logG= -0.656337 TDE= -4.397057 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038843 tlogG= -0.620106 logG= -0.658949 Density= 3.418013 ETOT(band)= -1.564206 trlgG= -2.230291 logG= -0.658949 TDE= -4.397497 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039197 tlogG= -0.612881 logG= -0.652078 Density= 3.419917 ETOT(band)= -1.556946 trlgG= -2.220378 logG= -0.652078 TDE= -4.396029 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038983 tlogG= -0.617541 logG= -0.656524 Density= 3.418956 ETOT(band)= -1.561541 trlgG= -2.226331 logG= -0.656524 TDE= -4.396741 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038737 tlogG= -0.623139 logG= -0.661876 Density= 3.417042 ETOT(band)= -1.567402 trlgG= -2.237210 logG= -0.661876 TDE= -4.400686 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038954 tlogG= -0.620508 logG= -0.659463 Density= 3.419142 ETOT(band)= -1.563856 trlgG= -2.229679 logG= -0.659463 TDE= -4.397305 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038665 tlogG= -0.622729 logG= -0.661394 Density= 3.416702 ETOT(band)= -1.567517 trlgG= -2.236381 logG= -0.661394 TDE= -4.400058 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039138 tlogG= -0.613026 logG= -0.652164 Density= 3.419412 ETOT(band)= -1.557527 trlgG= -2.220877 logG= -0.652164 TDE= -4.396025 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038581 tlogG= -0.625826 logG= -0.664407 Density= 3.416273 ETOT(band)= -1.570146 trlgG= -2.241565 logG= -0.664407 TDE= -4.401874 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039032 tlogG= -0.615752 logG= -0.654784 Density= 3.418780 ETOT(band)= -1.560182 trlgG= -2.224905 logG= -0.654784 TDE= -4.396910 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 Sum of eigenvalues= -1021.46130695216 eV TrLogG= -1457.73699913864 eV Ratio to renormalize= 0.999629978575 rho-rho_expected= 0.060705976157 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 33) Finished k-point number 34 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 2) Finished k-point number 3 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 1) Finished k-point number 2 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 20) Finished k-point number 21 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800616021151801 0.802546490043351 0.802451845676274 0.800186671042061 0.803078739424419 0.802413791688257 0.800911019745272 0.802409744606389 0.802555300722966 0.800822671558328 0.802611677077030 0.802457386861054 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038721 tlogG= -0.620476 logG= -0.659197 Density= 3.416889 ETOT(band)= -1.565678 trlgG= -2.232078 logG= -0.659197 TDE= -4.398107 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038718 tlogG= -0.625232 logG= -0.663950 Density= 3.416872 ETOT(band)= -1.569091 trlgG= -2.241411 logG= -0.663950 TDE= -4.402673 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038984 tlogG= -0.617539 logG= -0.656524 Density= 3.418960 ETOT(band)= -1.561549 trlgG= -2.226339 logG= -0.656524 TDE= -4.396753 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038777 tlogG= -0.618241 logG= -0.657017 Density= 3.417781 ETOT(band)= -1.563238 trlgG= -2.227348 logG= -0.657017 TDE= -4.396294 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038763 tlogG= -0.626524 logG= -0.665287 Density= 3.416667 ETOT(band)= -1.570063 trlgG= -2.245127 logG= -0.665287 TDE= -4.404882 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038971 tlogG= -0.616266 logG= -0.655238 Density= 3.418640 ETOT(band)= -1.560801 trlgG= -2.225223 logG= -0.655238 TDE= -4.396659 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038732 tlogG= -0.620505 logG= -0.659236 Density= 3.417398 ETOT(band)= -1.565259 trlgG= -2.231465 logG= -0.659236 TDE= -4.397875 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038896 tlogG= -0.620310 logG= -0.659206 Density= 3.418555 ETOT(band)= -1.564060 trlgG= -2.229995 logG= -0.659206 TDE= -4.397393 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038965 tlogG= -0.614226 logG= -0.653191 Density= 3.418835 ETOT(band)= -1.559135 trlgG= -2.221221 logG= -0.653191 TDE= -4.394864 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038688 tlogG= -0.623577 logG= -0.662264 Density= 3.417011 ETOT(band)= -1.567862 trlgG= -2.237178 logG= -0.662264 TDE= -4.400241 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038721 tlogG= -0.622359 logG= -0.661080 Density= 3.416714 ETOT(band)= -1.567174 trlgG= -2.236481 logG= -0.661080 TDE= -4.400482 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039120 tlogG= -0.611236 logG= -0.650356 Density= 3.419799 ETOT(band)= -1.555915 trlgG= -2.216395 logG= -0.650356 TDE= -4.393670 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038663 tlogG= -0.620974 logG= -0.659637 Density= 3.417188 ETOT(band)= -1.565917 trlgG= -2.232294 logG= -0.659637 TDE= -4.398130 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038914 tlogG= -0.616778 logG= -0.655692 Density= 3.418528 ETOT(band)= -1.561389 trlgG= -2.225114 logG= -0.655692 TDE= -4.396003 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038784 tlogG= -0.620106 logG= -0.658890 Density= 3.417428 ETOT(band)= -1.564859 trlgG= -2.231448 logG= -0.658890 TDE= -4.398229 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039057 tlogG= -0.614065 logG= -0.653122 Density= 3.419477 ETOT(band)= -1.558465 trlgG= -2.220579 logG= -0.653122 TDE= -4.394822 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038827 tlogG= -0.622708 logG= -0.661535 Density= 3.418088 ETOT(band)= -1.566354 trlgG= -2.234509 logG= -0.661535 TDE= -4.399191 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038670 tlogG= -0.625677 logG= -0.664348 Density= 3.416831 ETOT(band)= -1.569553 trlgG= -2.240872 logG= -0.664348 TDE= -4.401702 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038738 tlogG= -0.624863 logG= -0.663601 Density= 3.416628 ETOT(band)= -1.568985 trlgG= -2.241828 logG= -0.663601 TDE= -4.403237 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038874 tlogG= -0.619920 logG= -0.658794 Density= 3.418085 ETOT(band)= -1.564106 trlgG= -2.230587 logG= -0.658794 TDE= -4.398007 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038813 tlogG= -0.622426 logG= -0.661239 Density= 3.417771 ETOT(band)= -1.566292 trlgG= -2.234996 logG= -0.661239 TDE= -4.399712 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039052 tlogG= -0.613639 logG= -0.652691 Density= 3.419127 ETOT(band)= -1.558351 trlgG= -2.221403 logG= -0.652691 TDE= -4.395788 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038575 tlogG= -0.627673 logG= -0.666248 Density= 3.416103 ETOT(band)= -1.571584 trlgG= -2.245064 logG= -0.666248 TDE= -4.403392 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038791 tlogG= -0.622681 logG= -0.661472 Density= 3.417121 ETOT(band)= -1.566913 trlgG= -2.237127 logG= -0.661472 TDE= -4.401073 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039198 tlogG= -0.612879 logG= -0.652078 Density= 3.419922 ETOT(band)= -1.556954 trlgG= -2.220386 logG= -0.652078 TDE= -4.396042 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038880 tlogG= -0.617456 logG= -0.656336 Density= 3.417806 ETOT(band)= -1.562468 trlgG= -2.227422 logG= -0.656336 TDE= -4.397069 logGD-logG0= -0.038659 tlogG= -0.625363 logG= -0.664022 Density= 3.416444 ETOT(band)= -1.569599 trlgG= -2.241985 logG= -0.664022 TDE= -4.402820 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038738 tlogG= -0.623137 logG= -0.661875 Density= 3.417046 ETOT(band)= -1.567410 trlgG= -2.237217 logG= -0.661875 TDE= -4.400697 logGD-logG0= -0.039140 tlogG= -0.613024 logG= -0.652163 Density= 3.419416 ETOT(band)= -1.557535 trlgG= -2.220885 logG= -0.652163 TDE= -4.396037 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038666 tlogG= -0.622728 logG= -0.661394 Density= 3.416706 ETOT(band)= -1.567525 trlgG= -2.236388 logG= -0.661394 TDE= -4.400069 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038689 tlogG= -0.620730 logG= -0.659419 Density= 3.417033 ETOT(band)= -1.565807 trlgG= -2.232113 logG= -0.659419 TDE= -4.398039 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039033 tlogG= -0.615750 logG= -0.654783 Density= 3.418784 ETOT(band)= -1.560190 trlgG= -2.224913 logG= -0.654783 TDE= -4.396922 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038667 tlogG= -0.627118 logG= -0.665784 Density= 3.416367 ETOT(band)= -1.570856 trlgG= -2.245488 logG= -0.665784 TDE= -4.404498 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038855 tlogG= -0.620296 logG= -0.659151 Density= 3.418217 ETOT(band)= -1.564388 trlgG= -2.230474 logG= -0.659151 TDE= -4.397646 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038617 tlogG= -0.623050 logG= -0.661667 Density= 3.416710 ETOT(band)= -1.567816 trlgG= -2.236299 logG= -0.661667 TDE= -4.399710 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038771 tlogG= -0.624760 logG= -0.663530 Density= 3.416942 ETOT(band)= -1.568576 trlgG= -2.241364 logG= -0.663530 TDE= -4.403103 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038803 tlogG= -0.622101 logG= -0.660905 Density= 3.417493 ETOT(band)= -1.566158 trlgG= -2.235308 logG= -0.660905 TDE= -4.400128 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038891 tlogG= -0.619505 logG= -0.658396 Density= 3.417985 ETOT(band)= -1.563759 trlgG= -2.230372 logG= -0.658396 TDE= -4.398108 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.039126 tlogG= -0.613480 logG= -0.652607 Density= 3.419688 ETOT(band)= -1.557725 trlgG= -2.220825 logG= -0.652607 TDE= -4.395759 logGD-logG0= -0.038583 tlogG= -0.625824 logG= -0.664407 Density= 3.416277 ETOT(band)= -1.570154 trlgG= -2.241572 logG= -0.664407 TDE= -4.401884 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038986 tlogG= -0.617168 logG= -0.656154 Density= 3.418741 ETOT(band)= -1.561315 trlgG= -2.226434 logG= -0.656154 TDE= -4.397038 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038837 tlogG= -0.619666 logG= -0.658503 Density= 3.417471 ETOT(band)= -1.564400 trlgG= -2.231048 logG= -0.658503 TDE= -4.398252 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038987 tlogG= -0.617894 logG= -0.656881 Density= 3.419202 ETOT(band)= -1.561746 trlgG= -2.225922 logG= -0.656881 TDE= -4.396180 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038844 tlogG= -0.620105 logG= -0.658949 Density= 3.418017 ETOT(band)= -1.564214 trlgG= -2.230299 logG= -0.658949 TDE= -4.397508 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039241 tlogG= -0.610519 logG= -0.649760 Density= 3.420324 ETOT(band)= -1.554835 trlgG= -2.216390 logG= -0.649760 TDE= -4.394696 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039361 tlogG= -0.609727 logG= -0.649088 Density= 3.420873 ETOT(band)= -1.553654 trlgG= -2.215466 logG= -0.649088 TDE= -4.394897 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038955 tlogG= -0.620507 logG= -0.659462 Density= 3.419146 ETOT(band)= -1.563864 trlgG= -2.229686 logG= -0.659462 TDE= -4.397316 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038830 tlogG= -0.617863 logG= -0.656692 Density= 3.417792 ETOT(band)= -1.562869 trlgG= -2.227537 logG= -0.656692 TDE= -4.396816 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 Sum of eigenvalues= -1021.46646890541 eV TrLogG= -1457.74417255762 eV Ratio to renormalize= 0.999628796060 rho-rho_expected= 0.060900052497 nargs= 1 argi=dmft2.def 4) Finished k-point number 5 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 10) Finished k-point number 11 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 21) Finished k-point number 22 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 34) Finished k-point number 35 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 47) Finished k-point number 48 1 with #bands= 104 18) Finished k-point number 19 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800668727216866 0.802602987001903 0.802507542987434 0.800239671115746 0.803135661333213 0.802468366370091 0.800963648279058 0.802466171610534 0.802610853637843 0.800875072614515 0.802668151416892 0.802512983973163 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039210 tlogG= -0.612863 logG= -0.652073 Density= 3.419963 ETOT(band)= -1.557027 trlgG= -2.220466 logG= -0.652073 TDE= -4.396160 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038849 tlogG= -0.619650 logG= -0.658499 Density= 3.417511 ETOT(band)= -1.564475 trlgG= -2.231118 logG= -0.658499 TDE= -4.398359 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=119 logGD-logG0= -0.038775 tlogG= -0.626507 logG= -0.665282 Density= 3.416707 ETOT(band)= -1.570136 trlgG= -2.245197 logG= -0.665282 TDE= -4.404990 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038743 tlogG= -0.620489 logG= -0.659233 Density= 3.417437 ETOT(band)= -1.565334 trlgG= -2.231534 logG= -0.659233 TDE= -4.397980 logGD-logG0= -0.038886 tlogG= -0.619904 logG= -0.658790 Density= 3.418124 ETOT(band)= -1.564181 trlgG= -2.230659 logG= -0.658790 TDE= -4.398116 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038788 tlogG= -0.618226 logG= -0.657014 Density= 3.417820 ETOT(band)= -1.563313 trlgG= -2.227423 logG= -0.657014 TDE= -4.396405 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038750 tlogG= -0.624847 logG= -0.663596 Density= 3.416668 ETOT(band)= -1.569059 trlgG= -2.241900 logG= -0.663596 TDE= -4.403346 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038587 tlogG= -0.627657 logG= -0.666244 Density= 3.416142 ETOT(band)= -1.571659 trlgG= -2.245135 logG= -0.666244 TDE= -4.403499 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038825 tlogG= -0.622411 logG= -0.661235 Density= 3.417810 ETOT(band)= -1.566368 trlgG= -2.235069 logG= -0.661235 TDE= -4.399820 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038729 tlogG= -0.625216 logG= -0.663945 Density= 3.416911 ETOT(band)= -1.569165 trlgG= -2.241483 logG= -0.663945 TDE= -4.402782 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038983 tlogG= -0.616250 logG= -0.655234 Density= 3.418680 ETOT(band)= -1.560875 trlgG= -2.225304 logG= -0.655234 TDE= -4.396777 logGD-logG0= -0.038892 tlogG= -0.617441 logG= -0.656332 Density= 3.417846 ETOT(band)= -1.562543 trlgG= -2.227500 logG= -0.656332 TDE= -4.397185 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039138 tlogG= -0.613465 logG= -0.652603 Density= 3.419729 ETOT(band)= -1.557799 trlgG= -2.220907 logG= -0.652603 TDE= -4.395878 logGD-logG0= -0.038682 tlogG= -0.625662 logG= -0.664344 Density= 3.416870 ETOT(band)= -1.569628 trlgG= -2.240941 logG= -0.664344 TDE= -4.401807 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038839 tlogG= -0.622692 logG= -0.661531 Density= 3.418126 ETOT(band)= -1.566430 trlgG= -2.234577 logG= -0.661531 TDE= -4.399294 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038998 tlogG= -0.617152 logG= -0.656150 Density= 3.418781 ETOT(band)= -1.561390 trlgG= -2.226512 logG= -0.656150 TDE= -4.397152 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038679 tlogG= -0.627101 logG= -0.665780 Density= 3.416406 ETOT(band)= -1.570930 trlgG= -2.245559 logG= -0.665780 TDE= -4.404606 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039064 tlogG= -0.613623 logG= -0.652687 Density= 3.419167 ETOT(band)= -1.558425 trlgG= -2.221484 logG= -0.652687 TDE= -4.395907 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038733 tlogG= -0.620460 logG= -0.659193 Density= 3.416928 ETOT(band)= -1.565753 trlgG= -2.232147 logG= -0.659193 TDE= -4.398212 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038732 tlogG= -0.622344 logG= -0.661076 Density= 3.416753 ETOT(band)= -1.567249 trlgG= -2.236553 logG= -0.661076 TDE= -4.400590 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038815 tlogG= -0.622086 logG= -0.660900 Density= 3.417532 ETOT(band)= -1.566233 trlgG= -2.235380 logG= -0.660900 TDE= -4.400237 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038671 tlogG= -0.625347 logG= -0.664018 Density= 3.416483 ETOT(band)= -1.569673 trlgG= -2.242057 logG= -0.664018 TDE= -4.402929 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038977 tlogG= -0.614210 logG= -0.653188 Density= 3.418876 ETOT(band)= -1.559210 trlgG= -2.221299 logG= -0.653188 TDE= -4.394980 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038675 tlogG= -0.620959 logG= -0.659634 Density= 3.417226 ETOT(band)= -1.565993 trlgG= -2.232360 logG= -0.659634 TDE= -4.398230 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038867 tlogG= -0.620281 logG= -0.659148 Density= 3.418255 ETOT(band)= -1.564463 trlgG= -2.230545 logG= -0.659148 TDE= -4.397753 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038796 tlogG= -0.620090 logG= -0.658887 Density= 3.417467 ETOT(band)= -1.564933 trlgG= -2.231518 logG= -0.658887 TDE= -4.398335 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038700 tlogG= -0.623561 logG= -0.662260 Density= 3.417050 ETOT(band)= -1.567937 trlgG= -2.237246 logG= -0.662260 TDE= -4.400345 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038856 tlogG= -0.620089 logG= -0.658945 Density= 3.418056 ETOT(band)= -1.564290 trlgG= -2.230369 logG= -0.658945 TDE= -4.397615 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038926 tlogG= -0.616762 logG= -0.655688 Density= 3.418568 ETOT(band)= -1.561464 trlgG= -2.225191 logG= -0.655688 TDE= -4.396117 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039132 tlogG= -0.611220 logG= -0.650352 Density= 3.419840 ETOT(band)= -1.555989 trlgG= -2.216475 logG= -0.650352 TDE= -4.393788 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038594 tlogG= -0.625808 logG= -0.664403 Density= 3.416316 ETOT(band)= -1.570229 trlgG= -2.241640 logG= -0.664403 TDE= -4.401989 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038678 tlogG= -0.622712 logG= -0.661390 Density= 3.416745 ETOT(band)= -1.567599 trlgG= -2.236460 logG= -0.661390 TDE= -4.400177 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038782 tlogG= -0.624743 logG= -0.663526 Density= 3.416982 ETOT(band)= -1.568650 trlgG= -2.241435 logG= -0.663526 TDE= -4.403212 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039045 tlogG= -0.615734 logG= -0.654779 Density= 3.418824 ETOT(band)= -1.560263 trlgG= -2.224994 logG= -0.654779 TDE= -4.397041 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039152 tlogG= -0.613008 logG= -0.652159 Density= 3.419457 ETOT(band)= -1.557608 trlgG= -2.220966 logG= -0.652159 TDE= -4.396156 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038750 tlogG= -0.623121 logG= -0.661871 Density= 3.417085 ETOT(band)= -1.567485 trlgG= -2.237288 logG= -0.661871 TDE= -4.400805 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038999 tlogG= -0.617879 logG= -0.656877 Density= 3.419241 ETOT(band)= -1.561822 trlgG= -2.225997 logG= -0.656877 TDE= -4.396290 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038996 tlogG= -0.617524 logG= -0.656520 Density= 3.418999 ETOT(band)= -1.561625 trlgG= -2.226417 logG= -0.656520 TDE= -4.396867 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038841 tlogG= -0.617847 logG= -0.656689 Density= 3.417831 ETOT(band)= -1.562944 trlgG= -2.227615 logG= -0.656689 TDE= -4.396931 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038903 tlogG= -0.619489 logG= -0.658392 Density= 3.418025 ETOT(band)= -1.563833 trlgG= -2.230446 logG= -0.658392 TDE= -4.398219 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038803 tlogG= -0.622665 logG= -0.661468 Density= 3.417161 ETOT(band)= -1.566988 trlgG= -2.237198 logG= -0.661468 TDE= -4.401181 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039253 tlogG= -0.610503 logG= -0.649756 Density= 3.420366 ETOT(band)= -1.554908 trlgG= -2.216470 logG= -0.649756 TDE= -4.394814 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039373 tlogG= -0.609711 logG= -0.649084 Density= 3.420915 ETOT(band)= -1.553726 trlgG= -2.215545 logG= -0.649084 TDE= -4.395016 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038629 tlogG= -0.623034 logG= -0.661663 Density= 3.416749 ETOT(band)= -1.567891 trlgG= -2.236365 logG= -0.661663 TDE= -4.399811 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039069 tlogG= -0.614050 logG= -0.653119 Density= 3.419517 ETOT(band)= -1.558539 trlgG= -2.220658 logG= -0.653119 TDE= -4.394938 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038700 tlogG= -0.620715 logG= -0.659415 Density= 3.417072 ETOT(band)= -1.565882 trlgG= -2.232182 logG= -0.659415 TDE= -4.398143 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038967 tlogG= -0.620492 logG= -0.659459 Density= 3.419183 ETOT(band)= -1.563941 trlgG= -2.229753 logG= -0.659459 TDE= -4.397417 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038908 tlogG= -0.620295 logG= -0.659203 Density= 3.418594 ETOT(band)= -1.564136 trlgG= -2.230065 logG= -0.659203 TDE= -4.397497 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 Sum of eigenvalues= -1021.51520201485 eV TrLogG= -1457.81343551317 eV Ratio to renormalize= 0.999617273242 rho-rho_expected= 0.062791220122 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 36) Finished k-point number 37 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 33) Finished k-point number 34 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 11) Finished k-point number 12 1 with #bands= 107 25) Finished k-point number 26 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 107 39) Finished k-point number 40 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800668469850104 0.802600040334415 0.802506139500751 0.800239427993028 0.803132761782605 0.802466950512090 0.800963396823107 0.802463231470334 0.802609464488344 0.800874837436238 0.802665208701703 0.802511580458730 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039311 tlogG= -0.613626 logG= -0.652937 Density= 3.419354 ETOT(band)= -1.558238 trlgG= -2.221576 logG= -0.652937 TDE= -4.395903 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039399 tlogG= -0.613010 logG= -0.652409 Density= 3.419641 ETOT(band)= -1.557422 trlgG= -2.221059 logG= -0.652409 TDE= -4.396152 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039072 tlogG= -0.622413 logG= -0.661485 Density= 3.417996 ETOT(band)= -1.566184 trlgG= -2.235161 logG= -0.661485 TDE= -4.399817 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039114 tlogG= -0.620283 logG= -0.659397 Density= 3.418440 ETOT(band)= -1.564280 trlgG= -2.230639 logG= -0.659397 TDE= -4.397750 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038999 tlogG= -0.624849 logG= -0.663848 Density= 3.416861 ETOT(band)= -1.568869 trlgG= -2.241988 logG= -0.663848 TDE= -4.403342 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039385 tlogG= -0.613467 logG= -0.652852 Density= 3.419912 ETOT(band)= -1.557615 trlgG= -2.221000 logG= -0.652852 TDE= -4.395874 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038948 tlogG= -0.623563 logG= -0.662511 Density= 3.417243 ETOT(band)= -1.567748 trlgG= -2.237334 logG= -0.662511 TDE= -4.400341 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038983 tlogG= -0.620463 logG= -0.659445 Density= 3.417123 ETOT(band)= -1.565561 trlgG= -2.232235 logG= -0.659445 TDE= -4.398209 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039499 tlogG= -0.610505 logG= -0.650004 Density= 3.420550 ETOT(band)= -1.554721 trlgG= -2.216562 logG= -0.650004 TDE= -4.394811 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038925 tlogG= -0.620961 logG= -0.659886 Density= 3.417421 ETOT(band)= -1.565802 trlgG= -2.232447 logG= -0.659886 TDE= -4.398227 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038836 tlogG= -0.627659 logG= -0.666495 Density= 3.416340 ETOT(band)= -1.571465 trlgG= -2.245219 logG= -0.666495 TDE= -4.403496 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039154 tlogG= -0.620298 logG= -0.659452 Density= 3.418775 ETOT(band)= -1.563956 trlgG= -2.230160 logG= -0.659452 TDE= -4.397494 logGD-logG0= -0.039225 tlogG= -0.614213 logG= -0.653438 Density= 3.419064 ETOT(band)= -1.559021 trlgG= -2.221390 logG= -0.653438 TDE= -4.394976 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039037 tlogG= -0.618228 logG= -0.657265 Density= 3.418012 ETOT(band)= -1.563123 trlgG= -2.227512 logG= -0.657265 TDE= -4.396401 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039231 tlogG= -0.616253 logG= -0.655483 Density= 3.418866 ETOT(band)= -1.560689 trlgG= -2.225396 logG= -0.655483 TDE= -4.396773 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039292 tlogG= -0.615737 logG= -0.655029 Density= 3.419009 ETOT(band)= -1.560078 trlgG= -2.225087 logG= -0.655029 TDE= -4.397037 logGD-logG0= -0.038931 tlogG= -0.625664 logG= -0.664595 Density= 3.417063 ETOT(band)= -1.569439 trlgG= -2.241028 logG= -0.664595 TDE= -4.401803 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039024 tlogG= -0.626510 logG= -0.665534 Density= 3.416900 ETOT(band)= -1.569946 trlgG= -2.245285 logG= -0.665534 TDE= -4.404986 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039173 tlogG= -0.616765 logG= -0.655938 Density= 3.418755 ETOT(band)= -1.561278 trlgG= -2.225282 logG= -0.655938 TDE= -4.396113 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039086 tlogG= -0.622695 logG= -0.661781 Density= 3.418310 ETOT(band)= -1.566248 trlgG= -2.234671 logG= -0.661781 TDE= -4.399291 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038982 tlogG= -0.622346 logG= -0.661328 Density= 3.416947 ETOT(band)= -1.567058 trlgG= -2.236641 logG= -0.661328 TDE= -4.400587 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039031 tlogG= -0.624746 logG= -0.663777 Density= 3.417173 ETOT(band)= -1.568462 trlgG= -2.241525 logG= -0.663777 TDE= -4.403208 logGD-logG0= -0.039140 tlogG= -0.617443 logG= -0.656584 Density= 3.418036 ETOT(band)= -1.562354 trlgG= -2.227591 logG= -0.656584 TDE= -4.397181 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039620 tlogG= -0.609713 logG= -0.649333 Density= 3.421096 ETOT(band)= -1.553542 trlgG= -2.215641 logG= -0.649333 TDE= -4.395012 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039133 tlogG= -0.619907 logG= -0.659040 Density= 3.418310 ETOT(band)= -1.563996 trlgG= -2.230751 logG= -0.659040 TDE= -4.398112 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038992 tlogG= -0.620492 logG= -0.659484 Density= 3.417629 ETOT(band)= -1.565145 trlgG= -2.231623 logG= -0.659484 TDE= -4.397977 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038844 tlogG= -0.625811 logG= -0.664654 Density= 3.416513 ETOT(band)= -1.570036 trlgG= -2.241724 logG= -0.664654 TDE= -4.401985 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039315 tlogG= -0.614052 logG= -0.653368 Density= 3.419701 ETOT(band)= -1.558354 trlgG= -2.220751 logG= -0.653368 TDE= -4.394934 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039245 tlogG= -0.617881 logG= -0.657126 Density= 3.419421 ETOT(band)= -1.561642 trlgG= -2.226093 logG= -0.657126 TDE= -4.396286 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038920 tlogG= -0.625349 logG= -0.664270 Density= 3.416678 ETOT(band)= -1.569481 trlgG= -2.242143 logG= -0.664270 TDE= -4.402925 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038927 tlogG= -0.622715 logG= -0.661642 Density= 3.416940 ETOT(band)= -1.567408 trlgG= -2.236547 logG= -0.661642 TDE= -4.400173 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039245 tlogG= -0.617155 logG= -0.656399 Density= 3.418965 ETOT(band)= -1.561206 trlgG= -2.226606 logG= -0.656399 TDE= -4.397148 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039045 tlogG= -0.620093 logG= -0.659138 Density= 3.417658 ETOT(band)= -1.564744 trlgG= -2.231607 logG= -0.659138 TDE= -4.398331 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038928 tlogG= -0.627104 logG= -0.666031 Density= 3.416602 ETOT(band)= -1.570739 trlgG= -2.245645 logG= -0.666031 TDE= -4.404603 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039097 tlogG= -0.619653 logG= -0.658750 Density= 3.417701 ETOT(band)= -1.564286 trlgG= -2.231208 logG= -0.658750 TDE= -4.398356 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038879 tlogG= -0.623037 logG= -0.661915 Density= 3.416945 ETOT(band)= -1.567699 trlgG= -2.236451 logG= -0.661915 TDE= -4.399808 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039242 tlogG= -0.617527 logG= -0.656769 Density= 3.419181 ETOT(band)= -1.561443 trlgG= -2.226512 logG= -0.656769 TDE= -4.396863 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039150 tlogG= -0.619491 logG= -0.658642 Density= 3.418212 ETOT(band)= -1.563647 trlgG= -2.230537 logG= -0.658642 TDE= -4.398215 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.039378 tlogG= -0.611223 logG= -0.650601 Density= 3.420027 ETOT(band)= -1.555800 trlgG= -2.216565 logG= -0.650601 TDE= -4.393784 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039103 tlogG= -0.620092 logG= -0.659195 Density= 3.418241 ETOT(band)= -1.564106 trlgG= -2.230462 logG= -0.659195 TDE= -4.397611 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038950 tlogG= -0.620718 logG= -0.659668 Density= 3.417267 ETOT(band)= -1.565691 trlgG= -2.232269 logG= -0.659668 TDE= -4.398140 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039213 tlogG= -0.620494 logG= -0.659708 Density= 3.419360 ETOT(band)= -1.563764 trlgG= -2.229852 logG= -0.659708 TDE= -4.397414 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038998 tlogG= -0.623124 logG= -0.662122 Density= 3.417276 ETOT(band)= -1.567296 trlgG= -2.237377 logG= -0.662122 TDE= -4.400801 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039062 tlogG= -0.622088 logG= -0.661150 Density= 3.417720 ETOT(band)= -1.566047 trlgG= -2.235471 logG= -0.661150 TDE= -4.400233 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039051 tlogG= -0.622667 logG= -0.661718 Density= 3.417352 ETOT(band)= -1.566799 trlgG= -2.237288 logG= -0.661718 TDE= -4.401177 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038978 tlogG= -0.625219 logG= -0.664196 Density= 3.417103 ETOT(band)= -1.568977 trlgG= -2.241572 logG= -0.664196 TDE= -4.402778 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039457 tlogG= -0.612866 logG= -0.652322 Density= 3.420145 ETOT(band)= -1.556843 trlgG= -2.220561 logG= -0.652322 TDE= -4.396156 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.039090 tlogG= -0.617850 logG= -0.656940 Density= 3.418022 ETOT(band)= -1.562754 trlgG= -2.227705 logG= -0.656940 TDE= -4.396927 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 Sum of eigenvalues= -1021.39292559269 eV TrLogG= -1457.97453940326 eV Ratio to renormalize= 0.999562056013 rho-rho_expected= 0.071854282067 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 10) Finished k-point number 11 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 41) Finished k-point number 42 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 2) Finished k-point number 3 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 24) Finished k-point number 25 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800634143671990 0.802564515934866 0.802470727110106 0.800204916610113 0.803097154950954 0.802432028906269 0.800929123398739 0.802427782127133 0.802574102487341 0.800840663738881 0.802629748106826 0.802476197397125 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038923 tlogG= -0.625675 logG= -0.664598 Density= 3.417038 ETOT(band)= -1.569393 trlgG= -2.240987 logG= -0.664598 TDE= -4.401738 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=118 logGD-logG0= -0.038985 tlogG= -0.620503 logG= -0.659487 Density= 3.417605 ETOT(band)= -1.565099 trlgG= -2.231581 logG= -0.659487 TDE= -4.397911 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038970 tlogG= -0.625230 logG= -0.664200 Density= 3.417079 ETOT(band)= -1.568931 trlgG= -2.241528 logG= -0.664200 TDE= -4.402711 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039065 tlogG= -0.622424 logG= -0.661489 Density= 3.417971 ETOT(band)= -1.566137 trlgG= -2.235118 logG= -0.661489 TDE= -4.399749 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038975 tlogG= -0.620474 logG= -0.659449 Density= 3.417098 ETOT(band)= -1.565515 trlgG= -2.232194 logG= -0.659449 TDE= -4.398143 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039143 tlogG= -0.619502 logG= -0.658645 Density= 3.418187 ETOT(band)= -1.563602 trlgG= -2.230493 logG= -0.658645 TDE= -4.398146 logGD-logG0= -0.038991 tlogG= -0.624861 logG= -0.663852 Density= 3.416836 ETOT(band)= -1.568823 trlgG= -2.241945 logG= -0.663852 TDE= -4.403275 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038917 tlogG= -0.620972 logG= -0.659889 Density= 3.417397 ETOT(band)= -1.565755 trlgG= -2.232408 logG= -0.659889 TDE= -4.398164 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.039030 tlogG= -0.618239 logG= -0.657268 Density= 3.417987 ETOT(band)= -1.563077 trlgG= -2.227467 logG= -0.657268 TDE= -4.396332 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038828 tlogG= -0.627671 logG= -0.666499 Density= 3.416315 ETOT(band)= -1.571420 trlgG= -2.245177 logG= -0.666499 TDE= -4.403429 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039285 tlogG= -0.615748 logG= -0.655032 Density= 3.418984 ETOT(band)= -1.560032 trlgG= -2.225038 logG= -0.655032 TDE= -4.396963 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039223 tlogG= -0.616264 logG= -0.655487 Density= 3.418841 ETOT(band)= -1.560643 trlgG= -2.225347 logG= -0.655487 TDE= -4.396700 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038943 tlogG= -0.620728 logG= -0.659671 Density= 3.417242 ETOT(band)= -1.565644 trlgG= -2.232228 logG= -0.659671 TDE= -4.398075 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039016 tlogG= -0.626522 logG= -0.665538 Density= 3.416875 ETOT(band)= -1.569900 trlgG= -2.245243 logG= -0.665538 TDE= -4.404919 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038941 tlogG= -0.623574 logG= -0.662515 Density= 3.417218 ETOT(band)= -1.567702 trlgG= -2.237294 logG= -0.662515 TDE= -4.400277 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039095 tlogG= -0.620103 logG= -0.659198 Density= 3.418217 ETOT(band)= -1.564059 trlgG= -2.230419 logG= -0.659198 TDE= -4.397545 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039125 tlogG= -0.619918 logG= -0.659043 Density= 3.418285 ETOT(band)= -1.563950 trlgG= -2.230708 logG= -0.659043 TDE= -4.398045 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039106 tlogG= -0.620294 logG= -0.659401 Density= 3.418416 ETOT(band)= -1.564233 trlgG= -2.230596 logG= -0.659401 TDE= -4.397683 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039055 tlogG= -0.622099 logG= -0.661154 Density= 3.417695 ETOT(band)= -1.566001 trlgG= -2.235428 logG= -0.661154 TDE= -4.400166 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039391 tlogG= -0.613021 logG= -0.652413 Density= 3.419615 ETOT(band)= -1.557377 trlgG= -2.221011 logG= -0.652413 TDE= -4.396078 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039023 tlogG= -0.624758 logG= -0.663781 Density= 3.417148 ETOT(band)= -1.568416 trlgG= -2.241482 logG= -0.663781 TDE= -4.403141 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039166 tlogG= -0.616776 logG= -0.655941 Density= 3.418729 ETOT(band)= -1.561231 trlgG= -2.225236 logG= -0.655941 TDE= -4.396042 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039217 tlogG= -0.614224 logG= -0.653441 Density= 3.419038 ETOT(band)= -1.558975 trlgG= -2.221342 logG= -0.653441 TDE= -4.394904 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039237 tlogG= -0.617166 logG= -0.656403 Density= 3.418939 ETOT(band)= -1.561160 trlgG= -2.226559 logG= -0.656403 TDE= -4.397077 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039304 tlogG= -0.613637 logG= -0.652941 Density= 3.419328 ETOT(band)= -1.558192 trlgG= -2.221527 logG= -0.652941 TDE= -4.395829 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039079 tlogG= -0.622706 logG= -0.661785 Density= 3.418286 ETOT(band)= -1.566201 trlgG= -2.234631 logG= -0.661785 TDE= -4.399227 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039044 tlogG= -0.622679 logG= -0.661722 Density= 3.417327 ETOT(band)= -1.566753 trlgG= -2.237245 logG= -0.661722 TDE= -4.401110 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.039449 tlogG= -0.612877 logG= -0.652326 Density= 3.420119 ETOT(band)= -1.556797 trlgG= -2.220512 logG= -0.652326 TDE= -4.396083 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038974 tlogG= -0.622357 logG= -0.661332 Density= 3.416922 ETOT(band)= -1.567011 trlgG= -2.236597 logG= -0.661332 TDE= -4.400519 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039371 tlogG= -0.611234 logG= -0.650605 Density= 3.420001 ETOT(band)= -1.555755 trlgG= -2.216517 logG= -0.650605 TDE= -4.393711 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038913 tlogG= -0.625361 logG= -0.664274 Density= 3.416654 ETOT(band)= -1.569436 trlgG= -2.242100 logG= -0.664274 TDE= -4.402858 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039308 tlogG= -0.614063 logG= -0.653371 Density= 3.419676 ETOT(band)= -1.558308 trlgG= -2.220703 logG= -0.653371 TDE= -4.394862 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039238 tlogG= -0.617892 logG= -0.657129 Density= 3.419396 ETOT(band)= -1.561595 trlgG= -2.226048 logG= -0.657129 TDE= -4.396218 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038920 tlogG= -0.627115 logG= -0.666035 Density= 3.416577 ETOT(band)= -1.570693 trlgG= -2.245603 logG= -0.666035 TDE= -4.404535 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039147 tlogG= -0.620308 logG= -0.659455 Density= 3.418751 ETOT(band)= -1.563909 trlgG= -2.230119 logG= -0.659455 TDE= -4.397429 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039206 tlogG= -0.620505 logG= -0.659711 Density= 3.419337 ETOT(band)= -1.563717 trlgG= -2.229812 logG= -0.659711 TDE= -4.397351 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039090 tlogG= -0.619664 logG= -0.658753 Density= 3.417676 ETOT(band)= -1.564240 trlgG= -2.231166 logG= -0.658753 TDE= -4.398289 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039377 tlogG= -0.613478 logG= -0.652855 Density= 3.419886 ETOT(band)= -1.557569 trlgG= -2.220951 logG= -0.652855 TDE= -4.395800 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038920 tlogG= -0.622726 logG= -0.661645 Density= 3.416915 ETOT(band)= -1.567362 trlgG= -2.236504 logG= -0.661645 TDE= -4.400106 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038991 tlogG= -0.623135 logG= -0.662126 Density= 3.417252 ETOT(band)= -1.567250 trlgG= -2.237335 logG= -0.662126 TDE= -4.400734 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039037 tlogG= -0.620104 logG= -0.659141 Density= 3.417633 ETOT(band)= -1.564698 trlgG= -2.231566 logG= -0.659141 TDE= -4.398266 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039133 tlogG= -0.617454 logG= -0.656587 Density= 3.418011 ETOT(band)= -1.562308 trlgG= -2.227543 logG= -0.656587 TDE= -4.397109 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039492 tlogG= -0.610517 logG= -0.650008 Density= 3.420523 ETOT(band)= -1.554676 trlgG= -2.216514 logG= -0.650008 TDE= -4.394737 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038871 tlogG= -0.623048 logG= -0.661919 Density= 3.416920 ETOT(band)= -1.567652 trlgG= -2.236412 logG= -0.661919 TDE= -4.399745 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039083 tlogG= -0.617861 logG= -0.656943 Density= 3.417997 ETOT(band)= -1.562708 trlgG= -2.227657 logG= -0.656943 TDE= -4.396856 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039612 tlogG= -0.609725 logG= -0.649337 Density= 3.421069 ETOT(band)= -1.553497 trlgG= -2.215593 logG= -0.649337 TDE= -4.394938 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038836 tlogG= -0.625822 logG= -0.664658 Density= 3.416489 ETOT(band)= -1.569990 trlgG= -2.241684 logG= -0.664658 TDE= -4.401920 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039235 tlogG= -0.617537 logG= -0.656772 Density= 3.419156 ETOT(band)= -1.561396 trlgG= -2.226465 logG= -0.656772 TDE= -4.396793 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 Sum of eigenvalues= -1021.36281359963 eV TrLogG= -1457.93224107327 eV Ratio to renormalize= 0.999569348015 rho-rho_expected= 0.070657354298 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 20) Finished k-point number 21 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 10) Finished k-point number 11 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 28) Finished k-point number 29 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800635122384962 0.802565173971405 0.802471495021302 0.800205901974936 0.803097838174226 0.802432766192939 0.800930101888786 0.802428444750517 0.802574868640689 0.800841639490066 0.802630406679455 0.802476965162166 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038974 tlogG= -0.622357 logG= -0.661332 Density= 3.416923 ETOT(band)= -1.567012 trlgG= -2.236598 logG= -0.661332 TDE= -4.400520 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038943 tlogG= -0.620728 logG= -0.659671 Density= 3.417243 ETOT(band)= -1.565645 trlgG= -2.232229 logG= -0.659671 TDE= -4.398076 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039392 tlogG= -0.613021 logG= -0.652413 Density= 3.419616 ETOT(band)= -1.557377 trlgG= -2.221012 logG= -0.652413 TDE= -4.396079 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039079 tlogG= -0.622706 logG= -0.661785 Density= 3.418287 ETOT(band)= -1.566202 trlgG= -2.234631 logG= -0.661785 TDE= -4.399228 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039126 tlogG= -0.619918 logG= -0.659044 Density= 3.418286 ETOT(band)= -1.563950 trlgG= -2.230709 logG= -0.659044 TDE= -4.398046 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038985 tlogG= -0.620503 logG= -0.659488 Density= 3.417606 ETOT(band)= -1.565099 trlgG= -2.231582 logG= -0.659488 TDE= -4.397912 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038976 tlogG= -0.620474 logG= -0.659449 Density= 3.417099 ETOT(band)= -1.565515 trlgG= -2.232194 logG= -0.659449 TDE= -4.398144 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038920 tlogG= -0.622726 logG= -0.661646 Density= 3.416916 ETOT(band)= -1.567362 trlgG= -2.236505 logG= -0.661646 TDE= -4.400107 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038918 tlogG= -0.620972 logG= -0.659890 Density= 3.417397 ETOT(band)= -1.565756 trlgG= -2.232409 logG= -0.659890 TDE= -4.398165 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.038941 tlogG= -0.623574 logG= -0.662515 Density= 3.417219 ETOT(band)= -1.567702 trlgG= -2.237294 logG= -0.662515 TDE= -4.400278 logGD-logG0= -0.038991 tlogG= -0.624861 logG= -0.663852 Density= 3.416837 ETOT(band)= -1.568824 trlgG= -2.241946 logG= -0.663852 TDE= -4.403276 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038920 tlogG= -0.627115 logG= -0.666036 Density= 3.416578 ETOT(band)= -1.570693 trlgG= -2.245604 logG= -0.666036 TDE= -4.404537 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039223 tlogG= -0.616264 logG= -0.655487 Density= 3.418842 ETOT(band)= -1.560644 trlgG= -2.225348 logG= -0.655487 TDE= -4.396701 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038923 tlogG= -0.625675 logG= -0.664599 Density= 3.417039 ETOT(band)= -1.569393 trlgG= -2.240988 logG= -0.664599 TDE= -4.401739 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=118 logGD-logG0= -0.039107 tlogG= -0.620294 logG= -0.659401 Density= 3.418416 ETOT(band)= -1.564234 trlgG= -2.230596 logG= -0.659401 TDE= -4.397684 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038829 tlogG= -0.627671 logG= -0.666500 Density= 3.416316 ETOT(band)= -1.571420 trlgG= -2.245178 logG= -0.666500 TDE= -4.403430 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039090 tlogG= -0.619664 logG= -0.658754 Density= 3.417677 ETOT(band)= -1.564240 trlgG= -2.231167 logG= -0.658754 TDE= -4.398290 logGD-logG0= -0.039449 tlogG= -0.612877 logG= -0.652326 Density= 3.420119 ETOT(band)= -1.556798 trlgG= -2.220513 logG= -0.652326 TDE= -4.396084 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039304 tlogG= -0.613637 logG= -0.652941 Density= 3.419329 ETOT(band)= -1.558193 trlgG= -2.221528 logG= -0.652941 TDE= -4.395830 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039371 tlogG= -0.611234 logG= -0.650605 Density= 3.420002 ETOT(band)= -1.555756 trlgG= -2.216518 logG= -0.650605 TDE= -4.393712 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039237 tlogG= -0.617166 logG= -0.656403 Density= 3.418940 ETOT(band)= -1.561160 trlgG= -2.226560 logG= -0.656403 TDE= -4.397078 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039217 tlogG= -0.614224 logG= -0.653441 Density= 3.419039 ETOT(band)= -1.558976 trlgG= -2.221343 logG= -0.653441 TDE= -4.394905 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039612 tlogG= -0.609725 logG= -0.649337 Density= 3.421070 ETOT(band)= -1.553497 trlgG= -2.215594 logG= -0.649337 TDE= -4.394940 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039377 tlogG= -0.613478 logG= -0.652856 Density= 3.419887 ETOT(band)= -1.557570 trlgG= -2.220952 logG= -0.652856 TDE= -4.395801 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039016 tlogG= -0.626522 logG= -0.665538 Density= 3.416876 ETOT(band)= -1.569901 trlgG= -2.245244 logG= -0.665538 TDE= -4.404920 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039492 tlogG= -0.610517 logG= -0.650008 Density= 3.420524 ETOT(band)= -1.554677 trlgG= -2.216515 logG= -0.650008 TDE= -4.394738 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039235 tlogG= -0.617538 logG= -0.656773 Density= 3.419157 ETOT(band)= -1.561397 trlgG= -2.226465 logG= -0.656773 TDE= -4.396794 logGD-logG0= -0.039030 tlogG= -0.618239 logG= -0.657269 Density= 3.417988 ETOT(band)= -1.563077 trlgG= -2.227468 logG= -0.657269 TDE= -4.396333 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039143 tlogG= -0.619502 logG= -0.658646 Density= 3.418187 ETOT(band)= -1.563602 trlgG= -2.230494 logG= -0.658646 TDE= -4.398147 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039096 tlogG= -0.620103 logG= -0.659198 Density= 3.418217 ETOT(band)= -1.564060 trlgG= -2.230420 logG= -0.659198 TDE= -4.397546 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039206 tlogG= -0.620505 logG= -0.659711 Density= 3.419337 ETOT(band)= -1.563718 trlgG= -2.229813 logG= -0.659711 TDE= -4.397352 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039055 tlogG= -0.622099 logG= -0.661154 Density= 3.417696 ETOT(band)= -1.566002 trlgG= -2.235428 logG= -0.661154 TDE= -4.400167 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039038 tlogG= -0.620104 logG= -0.659141 Density= 3.417634 ETOT(band)= -1.564699 trlgG= -2.231566 logG= -0.659141 TDE= -4.398267 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039044 tlogG= -0.622679 logG= -0.661723 Density= 3.417327 ETOT(band)= -1.566754 trlgG= -2.237246 logG= -0.661723 TDE= -4.401111 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.039065 tlogG= -0.622424 logG= -0.661489 Density= 3.417972 ETOT(band)= -1.566138 trlgG= -2.235118 logG= -0.661489 TDE= -4.399751 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038970 tlogG= -0.625230 logG= -0.664200 Density= 3.417079 ETOT(band)= -1.568931 trlgG= -2.241529 logG= -0.664200 TDE= -4.402712 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039023 tlogG= -0.624758 logG= -0.663781 Density= 3.417149 ETOT(band)= -1.568416 trlgG= -2.241483 logG= -0.663781 TDE= -4.403142 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039285 tlogG= -0.615748 logG= -0.655033 Density= 3.418984 ETOT(band)= -1.560033 trlgG= -2.225039 logG= -0.655033 TDE= -4.396965 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039133 tlogG= -0.617454 logG= -0.656587 Density= 3.418011 ETOT(band)= -1.562308 trlgG= -2.227544 logG= -0.656587 TDE= -4.397110 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039308 tlogG= -0.614063 logG= -0.653371 Density= 3.419677 ETOT(band)= -1.558309 trlgG= -2.220704 logG= -0.653371 TDE= -4.394863 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039166 tlogG= -0.616776 logG= -0.655942 Density= 3.418730 ETOT(band)= -1.561232 trlgG= -2.225237 logG= -0.655942 TDE= -4.396043 logGD-logG0= -0.038836 tlogG= -0.625822 logG= -0.664659 Density= 3.416489 ETOT(band)= -1.569990 trlgG= -2.241685 logG= -0.664659 TDE= -4.401921 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039147 tlogG= -0.620308 logG= -0.659455 Density= 3.418751 ETOT(band)= -1.563909 trlgG= -2.230119 logG= -0.659455 TDE= -4.397430 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038991 tlogG= -0.623135 logG= -0.662126 Density= 3.417252 ETOT(band)= -1.567250 trlgG= -2.237335 logG= -0.662126 TDE= -4.400735 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039238 tlogG= -0.617892 logG= -0.657130 Density= 3.419397 ETOT(band)= -1.561596 trlgG= -2.226049 logG= -0.657130 TDE= -4.396219 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038913 tlogG= -0.625361 logG= -0.664274 Density= 3.416654 ETOT(band)= -1.569436 trlgG= -2.242101 logG= -0.664274 TDE= -4.402859 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039083 tlogG= -0.617861 logG= -0.656944 Density= 3.417998 ETOT(band)= -1.562709 trlgG= -2.227658 logG= -0.656944 TDE= -4.396857 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038871 tlogG= -0.623048 logG= -0.661919 Density= 3.416921 ETOT(band)= -1.567653 trlgG= -2.236413 logG= -0.661919 TDE= -4.399746 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 Sum of eigenvalues= -1021.36314466087 eV TrLogG= -1457.93314487701 eV Ratio to renormalize= 0.999569149336 rho-rho_expected= 0.070689965642 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 11) Finished k-point number 12 1 with #bands= 107 43) Finished k-point number 44 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 35) Finished k-point number 36 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800628756055822 0.802557479011891 0.802463940642205 0.800199510026302 0.803090140595453 0.802425305687377 0.800923746264670 0.802420767351649 0.802567338221143 0.800835308952585 0.802622726221915 0.802469420753974 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038775 tlogG= -0.620478 logG= -0.659254 Density= 3.416681 ETOT(band)= -1.565872 trlgG= -2.232330 logG= -0.659254 TDE= -4.398130 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038741 tlogG= -0.623579 logG= -0.662320 Density= 3.416799 ETOT(band)= -1.568061 trlgG= -2.237432 logG= -0.662320 TDE= -4.400263 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038880 tlogG= -0.622710 logG= -0.661590 Density= 3.417867 ETOT(band)= -1.566560 trlgG= -2.234769 logG= -0.661590 TDE= -4.399213 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038629 tlogG= -0.627676 logG= -0.666304 Density= 3.415895 ETOT(band)= -1.571780 trlgG= -2.245315 logG= -0.666304 TDE= -4.403415 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.038830 tlogG= -0.618243 logG= -0.657073 Density= 3.417570 ETOT(band)= -1.563434 trlgG= -2.227603 logG= -0.657073 TDE= -4.396318 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038817 tlogG= -0.626527 logG= -0.665344 Density= 3.416462 ETOT(band)= -1.570255 trlgG= -2.245376 logG= -0.665344 TDE= -4.404905 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039039 tlogG= -0.617896 logG= -0.656935 Density= 3.418978 ETOT(band)= -1.561953 trlgG= -2.226186 logG= -0.656935 TDE= -4.396204 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039018 tlogG= -0.614229 logG= -0.653246 Density= 3.418621 ETOT(band)= -1.559332 trlgG= -2.221478 logG= -0.653246 TDE= -4.394889 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038926 tlogG= -0.619923 logG= -0.658849 Density= 3.417869 ETOT(band)= -1.564305 trlgG= -2.230843 logG= -0.658849 TDE= -4.398030 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039104 tlogG= -0.613642 logG= -0.652746 Density= 3.418915 ETOT(band)= -1.558545 trlgG= -2.221659 logG= -0.652746 TDE= -4.395814 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038771 tlogG= -0.625235 logG= -0.664006 Density= 3.416662 ETOT(band)= -1.569288 trlgG= -2.241664 logG= -0.664006 TDE= -4.402697 logGD-logG0= -0.039293 tlogG= -0.610521 logG= -0.649814 Density= 3.420111 ETOT(band)= -1.555029 trlgG= -2.216646 logG= -0.649814 TDE= -4.394722 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038792 tlogG= -0.624866 logG= -0.663657 Density= 3.416422 ETOT(band)= -1.569178 trlgG= -2.242078 logG= -0.663657 TDE= -4.403261 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038723 tlogG= -0.625680 logG= -0.664404 Density= 3.416618 ETOT(band)= -1.569752 trlgG= -2.241126 logG= -0.664404 TDE= -4.401724 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039007 tlogG= -0.620509 logG= -0.659516 Density= 3.418918 ETOT(band)= -1.564075 trlgG= -2.229951 logG= -0.659516 TDE= -4.397338 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038713 tlogG= -0.625366 logG= -0.664079 Density= 3.416237 ETOT(band)= -1.569793 trlgG= -2.242236 logG= -0.664079 TDE= -4.402844 logGD-logG0= -0.038785 tlogG= -0.620507 logG= -0.659292 Density= 3.417187 ETOT(band)= -1.565456 trlgG= -2.231718 logG= -0.659292 TDE= -4.397898 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038717 tlogG= -0.620977 logG= -0.659694 Density= 3.416977 ETOT(band)= -1.566114 trlgG= -2.232546 logG= -0.659694 TDE= -4.398151 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038775 tlogG= -0.622362 logG= -0.661137 Density= 3.416507 ETOT(band)= -1.567367 trlgG= -2.236732 logG= -0.661137 TDE= -4.400505 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038907 tlogG= -0.620299 logG= -0.659206 Density= 3.417997 ETOT(band)= -1.564591 trlgG= -2.230733 logG= -0.659206 TDE= -4.397669 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038856 tlogG= -0.622104 logG= -0.660960 Density= 3.417281 ETOT(band)= -1.566356 trlgG= -2.235562 logG= -0.660960 TDE= -4.400152 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038824 tlogG= -0.624762 logG= -0.663586 Density= 3.416734 ETOT(band)= -1.568770 trlgG= -2.241615 logG= -0.663586 TDE= -4.403127 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038890 tlogG= -0.619669 logG= -0.658559 Density= 3.417263 ETOT(band)= -1.564594 trlgG= -2.231299 logG= -0.658559 TDE= -4.398275 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038865 tlogG= -0.622429 logG= -0.661294 Density= 3.417554 ETOT(band)= -1.566494 trlgG= -2.235254 logG= -0.661294 TDE= -4.399735 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039250 tlogG= -0.612882 logG= -0.652132 Density= 3.419710 ETOT(band)= -1.557148 trlgG= -2.220642 logG= -0.652132 TDE= -4.396068 logGD-logG0= -0.039024 tlogG= -0.616269 logG= -0.655292 Density= 3.418427 ETOT(band)= -1.560998 trlgG= -2.225480 logG= -0.655292 TDE= -4.396685 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038720 tlogG= -0.627120 logG= -0.665841 Density= 3.416161 ETOT(band)= -1.571050 trlgG= -2.245739 logG= -0.665841 TDE= -4.404521 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038671 tlogG= -0.623052 logG= -0.661723 Density= 3.416501 ETOT(band)= -1.568011 trlgG= -2.236550 logG= -0.661723 TDE= -4.399732 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038967 tlogG= -0.616780 logG= -0.655747 Density= 3.418312 ETOT(band)= -1.561588 trlgG= -2.225372 logG= -0.655747 TDE= -4.396027 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038896 tlogG= -0.620107 logG= -0.659004 Density= 3.417802 ETOT(band)= -1.564414 trlgG= -2.230554 logG= -0.659004 TDE= -4.397531 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038720 tlogG= -0.622730 logG= -0.661450 Density= 3.416498 ETOT(band)= -1.567719 trlgG= -2.236640 logG= -0.661450 TDE= -4.400092 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038944 tlogG= -0.619507 logG= -0.658451 Density= 3.417774 ETOT(band)= -1.563955 trlgG= -2.230626 logG= -0.658451 TDE= -4.398132 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039036 tlogG= -0.617542 logG= -0.656578 Density= 3.418740 ETOT(band)= -1.561752 trlgG= -2.226599 logG= -0.656578 TDE= -4.396778 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039085 tlogG= -0.615753 logG= -0.654838 Density= 3.418573 ETOT(band)= -1.560384 trlgG= -2.225168 logG= -0.654838 TDE= -4.396948 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038838 tlogG= -0.620109 logG= -0.658946 Density= 3.417217 ETOT(band)= -1.565054 trlgG= -2.231701 logG= -0.658946 TDE= -4.398252 logGD-logG0= -0.038791 tlogG= -0.623140 logG= -0.661931 Density= 3.416835 ETOT(band)= -1.567606 trlgG= -2.237470 logG= -0.661931 TDE= -4.400720 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038743 tlogG= -0.620733 logG= -0.659476 Density= 3.416824 ETOT(band)= -1.566002 trlgG= -2.232365 logG= -0.659476 TDE= -4.398061 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039109 tlogG= -0.614068 logG= -0.653177 Density= 3.419257 ETOT(band)= -1.558666 trlgG= -2.220840 logG= -0.653177 TDE= -4.394847 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039192 tlogG= -0.613026 logG= -0.652218 Density= 3.419207 ETOT(band)= -1.557727 trlgG= -2.221139 logG= -0.652218 TDE= -4.396063 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039172 tlogG= -0.611239 logG= -0.650410 Density= 3.419583 ETOT(band)= -1.556112 trlgG= -2.216653 logG= -0.650410 TDE= -4.393696 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039413 tlogG= -0.609729 logG= -0.649143 Density= 3.420663 ETOT(band)= -1.553845 trlgG= -2.215720 logG= -0.649143 TDE= -4.394923 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038636 tlogG= -0.625827 logG= -0.664463 Density= 3.416069 ETOT(band)= -1.570350 trlgG= -2.241822 logG= -0.664463 TDE= -4.401907 logGD-logG0= -0.039178 tlogG= -0.613483 logG= -0.652661 Density= 3.419472 ETOT(band)= -1.557923 trlgG= -2.221084 logG= -0.652661 TDE= -4.395785 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038844 tlogG= -0.622684 logG= -0.661528 Density= 3.416913 ETOT(band)= -1.567108 trlgG= -2.237378 logG= -0.661528 TDE= -4.401096 logGD-logG0= -0.039038 tlogG= -0.617170 logG= -0.656208 Density= 3.418527 ETOT(band)= -1.561513 trlgG= -2.226691 logG= -0.656208 TDE= -4.397062 logGD-logG0= -0.038883 tlogG= -0.617865 logG= -0.656748 Density= 3.417581 ETOT(band)= -1.563063 trlgG= -2.227791 logG= -0.656748 TDE= -4.396841 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038933 tlogG= -0.617459 logG= -0.656392 Density= 3.417597 ETOT(band)= -1.562662 trlgG= -2.227675 logG= -0.656392 TDE= -4.397094 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038948 tlogG= -0.620313 logG= -0.659261 Density= 3.418334 ETOT(band)= -1.564265 trlgG= -2.230255 logG= -0.659261 TDE= -4.397415 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 Sum of eigenvalues= -1021.59524868892 eV TrLogG= -1457.79578920346 eV Ratio to renormalize= 0.999690946165 rho-rho_expected= 0.050700498050 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 20) Finished k-point number 21 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 18) Finished k-point number 19 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 4) Finished k-point number 5 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 41) Finished k-point number 42 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 25) Finished k-point number 26 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800619779648195 0.802549689892111 0.802455890999767 0.800190461195734 0.803082189540693 0.802417529790920 0.800914781330744 0.802412962640710 0.802559315325383 0.800826385416877 0.802614924625912 0.802461393935056 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039022 tlogG= -0.616270 logG= -0.655292 Density= 3.418421 ETOT(band)= -1.560991 trlgG= -2.225471 logG= -0.655292 TDE= -4.396671 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038924 tlogG= -0.619924 logG= -0.658848 Density= 3.417863 ETOT(band)= -1.564298 trlgG= -2.230835 logG= -0.658848 TDE= -4.398018 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038888 tlogG= -0.619670 logG= -0.658558 Density= 3.417257 ETOT(band)= -1.564587 trlgG= -2.231292 logG= -0.658558 TDE= -4.398263 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038828 tlogG= -0.618245 logG= -0.657073 Density= 3.417563 ETOT(band)= -1.563427 trlgG= -2.227595 logG= -0.657073 TDE= -4.396305 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038863 tlogG= -0.622430 logG= -0.661294 Density= 3.417548 ETOT(band)= -1.566487 trlgG= -2.235246 logG= -0.661294 TDE= -4.399723 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038773 tlogG= -0.622363 logG= -0.661136 Density= 3.416501 ETOT(band)= -1.567361 trlgG= -2.236724 logG= -0.661136 TDE= -4.400493 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038878 tlogG= -0.622712 logG= -0.661589 Density= 3.417861 ETOT(band)= -1.566553 trlgG= -2.234762 logG= -0.661589 TDE= -4.399202 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038942 tlogG= -0.619509 logG= -0.658450 Density= 3.417768 ETOT(band)= -1.563948 trlgG= -2.230618 logG= -0.658450 TDE= -4.398120 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038773 tlogG= -0.620480 logG= -0.659253 Density= 3.416675 ETOT(band)= -1.565865 trlgG= -2.232323 logG= -0.659253 TDE= -4.398118 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038741 tlogG= -0.620734 logG= -0.659475 Density= 3.416818 ETOT(band)= -1.565995 trlgG= -2.232358 logG= -0.659475 TDE= -4.398050 logGD-logG0= -0.039102 tlogG= -0.613643 logG= -0.652746 Density= 3.418909 ETOT(band)= -1.558538 trlgG= -2.221650 logG= -0.652746 TDE= -4.395800 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038905 tlogG= -0.620300 logG= -0.659205 Density= 3.417991 ETOT(band)= -1.564584 trlgG= -2.230726 logG= -0.659205 TDE= -4.397657 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038627 tlogG= -0.627677 logG= -0.666304 Density= 3.415889 ETOT(band)= -1.571773 trlgG= -2.245308 logG= -0.666304 TDE= -4.403403 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038715 tlogG= -0.620978 logG= -0.659693 Density= 3.416971 ETOT(band)= -1.566107 trlgG= -2.232540 logG= -0.659693 TDE= -4.398140 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039176 tlogG= -0.613484 logG= -0.652661 Density= 3.419466 ETOT(band)= -1.557916 trlgG= -2.221075 logG= -0.652661 TDE= -4.395771 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038965 tlogG= -0.616782 logG= -0.655746 Density= 3.418306 ETOT(band)= -1.561581 trlgG= -2.225363 logG= -0.655746 TDE= -4.396014 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038842 tlogG= -0.622685 logG= -0.661527 Density= 3.416907 ETOT(band)= -1.567101 trlgG= -2.237371 logG= -0.661527 TDE= -4.401084 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.039248 tlogG= -0.612883 logG= -0.652131 Density= 3.419703 ETOT(band)= -1.557141 trlgG= -2.220633 logG= -0.652131 TDE= -4.396054 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039411 tlogG= -0.609731 logG= -0.649142 Density= 3.420656 ETOT(band)= -1.553839 trlgG= -2.215711 logG= -0.649142 TDE= -4.394910 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038711 tlogG= -0.625367 logG= -0.664078 Density= 3.416231 ETOT(band)= -1.569786 trlgG= -2.242228 logG= -0.664078 TDE= -4.402832 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038739 tlogG= -0.623581 logG= -0.662319 Density= 3.416793 ETOT(band)= -1.568053 trlgG= -2.237425 logG= -0.662319 TDE= -4.400251 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038721 tlogG= -0.625682 logG= -0.664403 Density= 3.416612 ETOT(band)= -1.569745 trlgG= -2.241119 logG= -0.664403 TDE= -4.401713 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038790 tlogG= -0.624867 logG= -0.663657 Density= 3.416416 ETOT(band)= -1.569171 trlgG= -2.242071 logG= -0.663657 TDE= -4.403249 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038783 tlogG= -0.620509 logG= -0.659292 Density= 3.417181 ETOT(band)= -1.565449 trlgG= -2.231711 logG= -0.659292 TDE= -4.397886 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038718 tlogG= -0.622732 logG= -0.661450 Density= 3.416492 ETOT(band)= -1.567713 trlgG= -2.236633 logG= -0.661450 TDE= -4.400080 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038815 tlogG= -0.626528 logG= -0.665343 Density= 3.416456 ETOT(band)= -1.570248 trlgG= -2.245368 logG= -0.665343 TDE= -4.404893 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038634 tlogG= -0.625828 logG= -0.664463 Density= 3.416063 ETOT(band)= -1.570343 trlgG= -2.241815 logG= -0.664463 TDE= -4.401895 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038881 tlogG= -0.617867 logG= -0.656748 Density= 3.417575 ETOT(band)= -1.563057 trlgG= -2.227782 logG= -0.656748 TDE= -4.396828 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038822 tlogG= -0.624764 logG= -0.663586 Density= 3.416728 ETOT(band)= -1.568764 trlgG= -2.241608 logG= -0.663586 TDE= -4.403115 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039037 tlogG= -0.617898 logG= -0.656934 Density= 3.418972 ETOT(band)= -1.561946 trlgG= -2.226178 logG= -0.656934 TDE= -4.396191 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038836 tlogG= -0.620110 logG= -0.658946 Density= 3.417211 ETOT(band)= -1.565047 trlgG= -2.231694 logG= -0.658946 TDE= -4.398240 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038789 tlogG= -0.623141 logG= -0.661931 Density= 3.416829 ETOT(band)= -1.567599 trlgG= -2.237463 logG= -0.661931 TDE= -4.400708 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039083 tlogG= -0.615754 logG= -0.654837 Density= 3.418567 ETOT(band)= -1.560377 trlgG= -2.225159 logG= -0.654837 TDE= -4.396935 logGD-logG0= -0.039107 tlogG= -0.614069 logG= -0.653176 Density= 3.419251 ETOT(band)= -1.558659 trlgG= -2.220831 logG= -0.653176 TDE= -4.394834 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038769 tlogG= -0.625236 logG= -0.664005 Density= 3.416656 ETOT(band)= -1.569281 trlgG= -2.241657 logG= -0.664005 TDE= -4.402685 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039036 tlogG= -0.617172 logG= -0.656208 Density= 3.418521 ETOT(band)= -1.561506 trlgG= -2.226682 logG= -0.656208 TDE= -4.397049 logGD-logG0= -0.039016 tlogG= -0.614230 logG= -0.653246 Density= 3.418615 ETOT(band)= -1.559325 trlgG= -2.221469 logG= -0.653246 TDE= -4.394876 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039291 tlogG= -0.610523 logG= -0.649813 Density= 3.420104 ETOT(band)= -1.555023 trlgG= -2.216637 logG= -0.649813 TDE= -4.394708 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039170 tlogG= -0.611240 logG= -0.650410 Density= 3.419576 ETOT(band)= -1.556106 trlgG= -2.216644 logG= -0.650410 TDE= -4.393682 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039190 tlogG= -0.613028 logG= -0.652218 Density= 3.419200 ETOT(band)= -1.557720 trlgG= -2.221130 logG= -0.652218 TDE= -4.396049 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038931 tlogG= -0.617460 logG= -0.656392 Density= 3.417591 ETOT(band)= -1.562655 trlgG= -2.227667 logG= -0.656392 TDE= -4.397081 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038718 tlogG= -0.627122 logG= -0.665840 Density= 3.416154 ETOT(band)= -1.571044 trlgG= -2.245731 logG= -0.665840 TDE= -4.404509 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039034 tlogG= -0.617543 logG= -0.656577 Density= 3.418734 ETOT(band)= -1.561745 trlgG= -2.226591 logG= -0.656577 TDE= -4.396765 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038854 tlogG= -0.622105 logG= -0.660959 Density= 3.417274 ETOT(band)= -1.566349 trlgG= -2.235554 logG= -0.660959 TDE= -4.400139 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038894 tlogG= -0.620109 logG= -0.659003 Density= 3.417796 ETOT(band)= -1.564407 trlgG= -2.230547 logG= -0.659003 TDE= -4.397519 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039005 tlogG= -0.620511 logG= -0.659516 Density= 3.418912 ETOT(band)= -1.564068 trlgG= -2.229944 logG= -0.659516 TDE= -4.397327 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038946 tlogG= -0.620314 logG= -0.659260 Density= 3.418328 ETOT(band)= -1.564258 trlgG= -2.230248 logG= -0.659260 TDE= -4.397403 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038669 tlogG= -0.623054 logG= -0.661723 Density= 3.416495 ETOT(band)= -1.568004 trlgG= -2.236544 logG= -0.661723 TDE= -4.399721 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 Sum of eigenvalues= -1021.59071037479 eV TrLogG= -1457.78734415932 eV Ratio to renormalize= 0.999692744587 rho-rho_expected= 0.050405374989 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 9) Finished k-point number 10 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 107 11) Finished k-point number 12 1 with #bands= 107 2) Finished k-point number 3 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 15) Finished k-point number 16 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 10) Finished k-point number 11 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 27) Finished k-point number 28 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800637146672433 0.802563747443270 0.802470551037303 0.800207983790313 0.803096486110324 0.802431760561176 0.800932137204727 0.802427048076574 0.802573947200768 0.800843691041057 0.802628962239434 0.802476043704648 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038968 tlogG= -0.616776 logG= -0.655745 Density= 3.418317 ETOT(band)= -1.561588 trlgG= -2.225370 logG= -0.655745 TDE= -4.396031 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038839 tlogG= -0.620105 logG= -0.658944 Density= 3.417222 ETOT(band)= -1.565053 trlgG= -2.231698 logG= -0.658944 TDE= -4.398255 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039106 tlogG= -0.613638 logG= -0.652744 Density= 3.418920 ETOT(band)= -1.558544 trlgG= -2.221657 logG= -0.652744 TDE= -4.395818 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038787 tlogG= -0.620504 logG= -0.659290 Density= 3.417191 ETOT(band)= -1.565456 trlgG= -2.231715 logG= -0.659290 TDE= -4.397900 logGD-logG0= -0.038881 tlogG= -0.622707 logG= -0.661588 Density= 3.417871 ETOT(band)= -1.566560 trlgG= -2.234766 logG= -0.661588 TDE= -4.399216 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038715 tlogG= -0.625362 logG= -0.664077 Density= 3.416242 ETOT(band)= -1.569792 trlgG= -2.242233 logG= -0.664077 TDE= -4.402847 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039294 tlogG= -0.610517 logG= -0.649812 Density= 3.420116 ETOT(band)= -1.555028 trlgG= -2.216644 logG= -0.649812 TDE= -4.394726 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039019 tlogG= -0.614225 logG= -0.653244 Density= 3.418626 ETOT(band)= -1.559331 trlgG= -2.221475 logG= -0.653244 TDE= -4.394893 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038743 tlogG= -0.623576 logG= -0.662318 Density= 3.416804 ETOT(band)= -1.568060 trlgG= -2.237429 logG= -0.662318 TDE= -4.400266 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038909 tlogG= -0.620295 logG= -0.659204 Density= 3.418002 ETOT(band)= -1.564591 trlgG= -2.230731 logG= -0.659204 TDE= -4.397672 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038793 tlogG= -0.623136 logG= -0.661929 Density= 3.416840 ETOT(band)= -1.567606 trlgG= -2.237467 logG= -0.661929 TDE= -4.400723 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038793 tlogG= -0.624862 logG= -0.663655 Density= 3.416427 ETOT(band)= -1.569177 trlgG= -2.242075 logG= -0.663655 TDE= -4.403264 logGD-logG0= -0.038826 tlogG= -0.624759 logG= -0.663584 Density= 3.416739 ETOT(band)= -1.568770 trlgG= -2.241612 logG= -0.663584 TDE= -4.403130 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038638 tlogG= -0.625823 logG= -0.664461 Density= 3.416074 ETOT(band)= -1.570349 trlgG= -2.241819 logG= -0.664461 TDE= -4.401909 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039040 tlogG= -0.617167 logG= -0.656206 Density= 3.418532 ETOT(band)= -1.561512 trlgG= -2.226689 logG= -0.656206 TDE= -4.397066 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038935 tlogG= -0.617455 logG= -0.656390 Density= 3.417602 ETOT(band)= -1.562661 trlgG= -2.227673 logG= -0.656390 TDE= -4.397098 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038725 tlogG= -0.625677 logG= -0.664402 Density= 3.416623 ETOT(band)= -1.569752 trlgG= -2.241123 logG= -0.664402 TDE= -4.401727 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038630 tlogG= -0.627672 logG= -0.666303 Density= 3.415900 ETOT(band)= -1.571779 trlgG= -2.245312 logG= -0.666303 TDE= -4.403418 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038928 tlogG= -0.619919 logG= -0.658847 Density= 3.417874 ETOT(band)= -1.564305 trlgG= -2.230840 logG= -0.658847 TDE= -4.398034 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038719 tlogG= -0.620973 logG= -0.659692 Density= 3.416982 ETOT(band)= -1.566113 trlgG= -2.232543 logG= -0.659692 TDE= -4.398153 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038777 tlogG= -0.620475 logG= -0.659252 Density= 3.416686 ETOT(band)= -1.565871 trlgG= -2.232326 logG= -0.659252 TDE= -4.398132 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039025 tlogG= -0.616265 logG= -0.655290 Density= 3.418432 ETOT(band)= -1.560997 trlgG= -2.225478 logG= -0.655290 TDE= -4.396689 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038867 tlogG= -0.622425 logG= -0.661292 Density= 3.417559 ETOT(band)= -1.566494 trlgG= -2.235251 logG= -0.661292 TDE= -4.399739 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038772 tlogG= -0.625231 logG= -0.664004 Density= 3.416667 ETOT(band)= -1.569287 trlgG= -2.241662 logG= -0.664004 TDE= -4.402700 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038832 tlogG= -0.618240 logG= -0.657071 Density= 3.417574 ETOT(band)= -1.563433 trlgG= -2.227600 logG= -0.657071 TDE= -4.396321 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038846 tlogG= -0.622680 logG= -0.661526 Density= 3.416918 ETOT(band)= -1.567107 trlgG= -2.237375 logG= -0.661526 TDE= -4.401099 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038892 tlogG= -0.619665 logG= -0.658557 Density= 3.417268 ETOT(band)= -1.564593 trlgG= -2.231296 logG= -0.658557 TDE= -4.398278 logGD-logG0= -0.039037 tlogG= -0.617538 logG= -0.656576 Density= 3.418745 ETOT(band)= -1.561751 trlgG= -2.226597 logG= -0.656576 TDE= -4.396782 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038945 tlogG= -0.619503 logG= -0.658449 Density= 3.417779 ETOT(band)= -1.563954 trlgG= -2.230623 logG= -0.658449 TDE= -4.398135 logGD-logG0= -0.039087 tlogG= -0.615749 logG= -0.654836 Density= 3.418578 ETOT(band)= -1.560383 trlgG= -2.225166 logG= -0.654836 TDE= -4.396952 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038744 tlogG= -0.620729 logG= -0.659474 Density= 3.416829 ETOT(band)= -1.566001 trlgG= -2.232361 logG= -0.659474 TDE= -4.398064 logGD-logG0= -0.038776 tlogG= -0.622358 logG= -0.661135 Density= 3.416512 ETOT(band)= -1.567367 trlgG= -2.236729 logG= -0.661135 TDE= -4.400508 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039110 tlogG= -0.614064 logG= -0.653174 Density= 3.419262 ETOT(band)= -1.558665 trlgG= -2.220838 logG= -0.653174 TDE= -4.394851 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039180 tlogG= -0.613479 logG= -0.652659 Density= 3.419477 ETOT(band)= -1.557922 trlgG= -2.221082 logG= -0.652659 TDE= -4.395789 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038819 tlogG= -0.626523 logG= -0.665342 Density= 3.416467 ETOT(band)= -1.570254 trlgG= -2.245373 logG= -0.665342 TDE= -4.404908 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039040 tlogG= -0.617893 logG= -0.656933 Density= 3.418982 ETOT(band)= -1.561953 trlgG= -2.226183 logG= -0.656933 TDE= -4.396207 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038898 tlogG= -0.620104 logG= -0.659002 Density= 3.417806 ETOT(band)= -1.564414 trlgG= -2.230551 logG= -0.659002 TDE= -4.397534 logGD-logG0= -0.039252 tlogG= -0.612878 logG= -0.652130 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Density= 3.419714 ETOT(band)= -1.557147 trlgG= -2.220640 logG= -0.652130 TDE= -4.396072 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038722 tlogG= -0.627117 logG= -0.665839 Density= 3.416165 ETOT(band)= -1.571050 trlgG= -2.245736 logG= -0.665839 TDE= -4.404525 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038857 tlogG= -0.622100 logG= -0.660958 Density= 3.417285 ETOT(band)= -1.566355 trlgG= -2.235559 logG= -0.660958 TDE= -4.400155 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038673 tlogG= -0.623049 logG= -0.661722 Density= 3.416506 ETOT(band)= -1.568011 trlgG= -2.236547 logG= -0.661722 TDE= -4.399734 logGD-logG0= -0.039008 tlogG= -0.620506 logG= -0.659514 Density= 3.418922 ETOT(band)= -1.564075 trlgG= -2.229948 logG= -0.659514 TDE= -4.397340 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039415 tlogG= -0.609726 logG= -0.649140 Density= 3.420668 ETOT(band)= -1.553844 trlgG= -2.215718 logG= -0.649140 TDE= -4.394928 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038885 tlogG= -0.617862 logG= -0.656746 Density= 3.417586 ETOT(band)= -1.563063 trlgG= -2.227789 logG= -0.656746 TDE= -4.396845 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039194 tlogG= -0.613022 logG= -0.652216 Density= 3.419212 ETOT(band)= -1.557726 trlgG= -2.221137 logG= -0.652216 TDE= -4.396067 logGD-logG0= -0.038949 tlogG= -0.620309 logG= -0.659259 Density= 3.418338 ETOT(band)= -1.564265 trlgG= -2.230252 logG= -0.659259 TDE= -4.397418 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039173 tlogG= -0.611235 logG= -0.650408 Density= 3.419587 ETOT(band)= -1.556112 trlgG= -2.216651 logG= -0.650408 TDE= -4.393700 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038722 tlogG= -0.622727 logG= -0.661448 Density= 3.416502 ETOT(band)= -1.567718 trlgG= -2.236637 logG= -0.661448 TDE= -4.400095 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 Sum of eigenvalues= -1021.59474064456 eV TrLogG= -1457.79666039788 eV Ratio to renormalize= 0.999689547326 rho-rho_expected= 0.050930049863 nargs= 1 argi=dmft2.def 24) Finished k-point number 25 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 27) Finished k-point number 28 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 19) Finished k-point number 20 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 17) Finished k-point number 18 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 20) Finished k-point number 21 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800635527399853 0.802562172120193 0.802469020886827 0.800206356143136 0.803094890483117 0.802430267052336 0.800930521104064 0.802425471134524 0.802572420660030 0.800842079658776 0.802627391626409 0.802474511980878 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038742 tlogG= -0.623576 logG= -0.662318 Density= 3.416802 ETOT(band)= -1.568058 trlgG= -2.237426 logG= -0.662318 TDE= -4.400262 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038772 tlogG= -0.625231 logG= -0.664003 Density= 3.416665 ETOT(band)= -1.569285 trlgG= -2.241659 logG= -0.664003 TDE= -4.402697 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038818 tlogG= -0.626523 logG= -0.665341 Density= 3.416466 ETOT(band)= -1.570252 trlgG= -2.245370 logG= -0.665341 TDE= -4.404905 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038793 tlogG= -0.624862 logG= -0.663655 Density= 3.416426 ETOT(band)= -1.569175 trlgG= -2.242073 logG= -0.663655 TDE= -4.403261 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038630 tlogG= -0.627672 logG= -0.666302 Density= 3.415899 ETOT(band)= -1.571777 trlgG= -2.245310 logG= -0.666302 TDE= -4.403415 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038786 tlogG= -0.620504 logG= -0.659290 Density= 3.417190 ETOT(band)= -1.565453 trlgG= -2.231712 logG= -0.659290 TDE= -4.397897 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038714 tlogG= -0.625362 logG= -0.664076 Density= 3.416240 ETOT(band)= -1.569790 trlgG= -2.242231 logG= -0.664076 TDE= -4.402844 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039087 tlogG= -0.615749 logG= -0.654836 Density= 3.418577 ETOT(band)= -1.560381 trlgG= -2.225163 logG= -0.654836 TDE= -4.396949 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038908 tlogG= -0.620295 logG= -0.659204 Density= 3.418001 ETOT(band)= -1.564589 trlgG= -2.230728 logG= -0.659204 TDE= -4.397669 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038928 tlogG= -0.619919 logG= -0.658847 Density= 3.417873 ETOT(band)= -1.564303 trlgG= -2.230838 logG= -0.658847 TDE= -4.398030 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038722 tlogG= -0.627117 logG= -0.665838 Density= 3.416164 ETOT(band)= -1.571047 trlgG= -2.245733 logG= -0.665838 TDE= -4.404521 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038891 tlogG= -0.619665 logG= -0.658556 Density= 3.417267 ETOT(band)= -1.564591 trlgG= -2.231293 logG= -0.658556 TDE= -4.398275 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038777 tlogG= -0.620475 logG= -0.659251 Density= 3.416685 ETOT(band)= -1.565869 trlgG= -2.232324 logG= -0.659251 TDE= -4.398129 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038638 tlogG= -0.625823 logG= -0.664461 Density= 3.416072 ETOT(band)= -1.570347 trlgG= -2.241817 logG= -0.664461 TDE= -4.401906 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038881 tlogG= -0.622707 logG= -0.661588 Density= 3.417870 ETOT(band)= -1.566557 trlgG= -2.234764 logG= -0.661588 TDE= -4.399213 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039019 tlogG= -0.614225 logG= -0.653244 Density= 3.418625 ETOT(band)= -1.559329 trlgG= -2.221473 logG= -0.653244 TDE= -4.394890 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038867 tlogG= -0.622425 logG= -0.661292 Density= 3.417558 ETOT(band)= -1.566491 trlgG= -2.235248 logG= -0.661292 TDE= -4.399735 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038719 tlogG= -0.620973 logG= -0.659692 Density= 3.416981 ETOT(band)= -1.566111 trlgG= -2.232540 logG= -0.659692 TDE= -4.398150 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039037 tlogG= -0.617538 logG= -0.656576 Density= 3.418744 ETOT(band)= -1.561749 trlgG= -2.226594 logG= -0.656576 TDE= -4.396778 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038831 tlogG= -0.618240 logG= -0.657071 Density= 3.417573 ETOT(band)= -1.563431 trlgG= -2.227597 logG= -0.657071 TDE= -4.396318 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039252 tlogG= -0.612878 logG= -0.652129 Density= 3.419713 ETOT(band)= -1.557145 trlgG= -2.220637 logG= -0.652129 TDE= -4.396068 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038725 tlogG= -0.625677 logG= -0.664401 Density= 3.416622 ETOT(band)= -1.569750 trlgG= -2.241120 logG= -0.664401 TDE= -4.401724 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039106 tlogG= -0.613638 logG= -0.652744 Density= 3.418919 ETOT(band)= -1.558542 trlgG= -2.221654 logG= -0.652744 TDE= -4.395814 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038776 tlogG= -0.622358 logG= -0.661134 Density= 3.416510 ETOT(band)= -1.567364 trlgG= -2.236726 logG= -0.661134 TDE= -4.400505 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038968 tlogG= -0.616777 logG= -0.655744 Density= 3.418315 ETOT(band)= -1.561585 trlgG= -2.225367 logG= -0.655744 TDE= -4.396027 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038857 tlogG= -0.622100 logG= -0.660957 Density= 3.417284 ETOT(band)= -1.566353 trlgG= -2.235556 logG= -0.660957 TDE= -4.400151 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039180 tlogG= -0.613479 logG= -0.652659 Density= 3.419476 ETOT(band)= -1.557920 trlgG= -2.221079 logG= -0.652659 TDE= -4.395785 logGD-logG0= -0.039194 tlogG= -0.613022 logG= -0.652216 Density= 3.419210 ETOT(band)= -1.557723 trlgG= -2.221134 logG= -0.652216 TDE= -4.396064 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038949 tlogG= -0.620309 logG= -0.659258 Density= 3.418337 ETOT(band)= -1.564262 trlgG= -2.230250 logG= -0.659258 TDE= -4.397415 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039025 tlogG= -0.616265 logG= -0.655290 Density= 3.418430 ETOT(band)= -1.560995 trlgG= -2.225475 logG= -0.655290 TDE= -4.396685 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038945 tlogG= -0.619503 logG= -0.658448 Density= 3.417777 ETOT(band)= -1.563952 trlgG= -2.230620 logG= -0.658448 TDE= -4.398132 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039294 tlogG= -0.610517 logG= -0.649811 Density= 3.420114 ETOT(band)= -1.555026 trlgG= -2.216641 logG= -0.649811 TDE= -4.394722 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038897 tlogG= -0.620104 logG= -0.659001 Density= 3.417805 ETOT(band)= -1.564412 trlgG= -2.230549 logG= -0.659001 TDE= -4.397531 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038825 tlogG= -0.624759 logG= -0.663584 Density= 3.416738 ETOT(band)= -1.568767 trlgG= -2.241610 logG= -0.663584 TDE= -4.403127 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039173 tlogG= -0.611235 logG= -0.650408 logGD-logG0= -0.039039 tlogG= -0.617167 logG= -0.656206 Density= 3.419586 ETOT(band)= -1.556109 trlgG= -2.216648 logG= -0.650408 TDE= -4.393696 Density= 3.418530 ETOT(band)= -1.561510 trlgG= -2.226686 logG= -0.656206 TDE= -4.397063 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038884 tlogG= -0.617862 logG= -0.656746 Density= 3.417585 ETOT(band)= -1.563060 trlgG= -2.227786 logG= -0.656746 TDE= -4.396841 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039414 tlogG= -0.609726 logG= -0.649140 Density= 3.420666 ETOT(band)= -1.553842 trlgG= -2.215715 logG= -0.649140 TDE= -4.394924 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038721 tlogG= -0.622727 logG= -0.661448 Density= 3.416501 ETOT(band)= -1.567716 trlgG= -2.236635 logG= -0.661448 TDE= -4.400092 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039008 tlogG= -0.620506 logG= -0.659514 Density= 3.418921 ETOT(band)= -1.564073 trlgG= -2.229945 logG= -0.659514 TDE= -4.397337 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038839 tlogG= -0.620105 logG= -0.658944 Density= 3.417221 ETOT(band)= -1.565051 trlgG= -2.231695 logG= -0.658944 TDE= -4.398251 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038935 tlogG= -0.617455 logG= -0.656390 Density= 3.417601 ETOT(band)= -1.562659 trlgG= -2.227670 logG= -0.656390 TDE= -4.397095 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038793 tlogG= -0.623136 logG= -0.661929 Density= 3.416839 ETOT(band)= -1.567603 trlgG= -2.237465 logG= -0.661929 TDE= -4.400720 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039040 tlogG= -0.617893 logG= -0.656933 Density= 3.418981 ETOT(band)= -1.561951 trlgG= -2.226181 logG= -0.656933 TDE= -4.396204 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038672 tlogG= -0.623049 logG= -0.661721 Density= 3.416504 ETOT(band)= -1.568009 trlgG= -2.236544 logG= -0.661721 TDE= -4.399731 logGD-logG0= -0.038845 tlogG= -0.622680 logG= -0.661525 Density= 3.416917 ETOT(band)= -1.567104 trlgG= -2.237373 logG= -0.661525 TDE= -4.401096 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038744 tlogG= -0.620729 logG= -0.659473 Density= 3.416828 ETOT(band)= -1.565999 trlgG= -2.232359 logG= -0.659473 TDE= -4.398061 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039110 tlogG= -0.614064 logG= -0.653174 Density= 3.419261 ETOT(band)= -1.558663 trlgG= -2.220835 logG= -0.653174 TDE= -4.394848 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Sum of eigenvalues= -1021.59330383365 eV TrLogG= -1457.79426849920 eV Ratio to renormalize= 0.999689911280 rho-rho_expected= 0.050870324446 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 21) Finished k-point number 22 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 17) Finished k-point number 18 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 5) Finished k-point number 6 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 28) Finished k-point number 29 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800653746287331 0.802582448051223 0.802488418048999 0.800224652503366 0.803115222107185 0.802449383250409 0.800948706760231 0.802445711562736 0.802591778700670 0.800860205801588 0.802647625550687 0.802493901697601 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038835 tlogG= -0.618234 logG= -0.657069 Density= 3.417587 ETOT(band)= -1.563461 trlgG= -2.227627 logG= -0.657069 TDE= -4.396361 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038634 tlogG= -0.627666 logG= -0.666300 Density= 3.415913 ETOT(band)= -1.571807 trlgG= -2.245338 logG= -0.666300 TDE= -4.403456 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038729 tlogG= -0.625671 logG= -0.664399 Density= 3.416636 ETOT(band)= -1.569779 trlgG= -2.241148 logG= -0.664399 TDE= -4.401765 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038790 tlogG= -0.620498 logG= -0.659288 Density= 3.417204 ETOT(band)= -1.565483 trlgG= -2.231740 logG= -0.659288 TDE= -4.397938 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038822 tlogG= -0.626517 logG= -0.665339 Density= 3.416480 ETOT(band)= -1.570281 trlgG= -2.245398 logG= -0.665339 TDE= -4.404947 logGD-logG0= -0.038871 tlogG= -0.622419 logG= -0.661290 Density= 3.417572 ETOT(band)= -1.566521 trlgG= -2.235277 logG= -0.661290 TDE= -4.399777 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038726 tlogG= -0.627110 logG= -0.665836 Density= 3.416178 ETOT(band)= -1.571077 trlgG= -2.245761 logG= -0.665836 TDE= -4.404563 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039023 tlogG= -0.614219 logG= -0.653242 Density= 3.418639 ETOT(band)= -1.559358 trlgG= -2.221503 logG= -0.653242 TDE= -4.394934 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038932 tlogG= -0.619913 logG= -0.658845 Density= 3.417887 ETOT(band)= -1.564332 trlgG= -2.230866 logG= -0.658845 TDE= -4.398072 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038642 tlogG= -0.625817 logG= -0.664459 Density= 3.416086 ETOT(band)= -1.570376 trlgG= -2.241844 logG= -0.664459 TDE= -4.401947 logGD-logG0= -0.038885 tlogG= -0.622701 logG= -0.661586 Density= 3.417884 ETOT(band)= -1.566587 trlgG= -2.234791 logG= -0.661586 TDE= -4.399253 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039029 tlogG= -0.616259 logG= -0.655288 Density= 3.418445 ETOT(band)= -1.561024 trlgG= -2.225507 logG= -0.655288 TDE= -4.396731 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038953 tlogG= -0.620304 logG= -0.659257 Density= 3.418351 ETOT(band)= -1.564293 trlgG= -2.230277 logG= -0.659257 TDE= -4.397455 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038797 tlogG= -0.624856 logG= -0.663653 Density= 3.416440 ETOT(band)= -1.569205 trlgG= -2.242101 logG= -0.663653 TDE= -4.403303 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038972 tlogG= -0.616771 logG= -0.655743 Density= 3.418330 ETOT(band)= -1.561615 trlgG= -2.225397 logG= -0.655743 TDE= -4.396071 logGD-logG0= -0.039110 tlogG= -0.613632 logG= -0.652742 Density= 3.418933 ETOT(band)= -1.558571 trlgG= -2.221686 logG= -0.652742 TDE= -4.395860 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038850 tlogG= -0.622674 logG= -0.661524 Density= 3.416931 ETOT(band)= -1.567134 trlgG= -2.237401 logG= -0.661524 TDE= -4.401138 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038781 tlogG= -0.620469 logG= -0.659250 Density= 3.416699 ETOT(band)= -1.565899 trlgG= -2.232351 logG= -0.659250 TDE= -4.398170 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038723 tlogG= -0.620967 logG= -0.659690 Density= 3.416995 ETOT(band)= -1.566141 trlgG= -2.232566 logG= -0.659690 TDE= -4.398189 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038888 tlogG= -0.617856 logG= -0.656744 Density= 3.417599 ETOT(band)= -1.563090 trlgG= -2.227817 logG= -0.656744 TDE= -4.396886 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038861 tlogG= -0.622094 logG= -0.660955 Density= 3.417298 ETOT(band)= -1.566383 trlgG= -2.235585 logG= -0.660955 TDE= -4.400193 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038746 tlogG= -0.623570 logG= -0.662316 Density= 3.416816 ETOT(band)= -1.568088 trlgG= -2.237453 logG= -0.662316 TDE= -4.400303 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038725 tlogG= -0.622721 logG= -0.661446 Density= 3.416515 ETOT(band)= -1.567746 trlgG= -2.236663 logG= -0.661446 TDE= -4.400134 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038829 tlogG= -0.624753 logG= -0.663582 Density= 3.416752 ETOT(band)= -1.568797 trlgG= -2.241638 logG= -0.663582 TDE= -4.403169 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038780 tlogG= -0.622352 logG= -0.661132 Density= 3.416524 ETOT(band)= -1.567394 trlgG= -2.236755 logG= -0.661132 TDE= -4.400547 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038677 tlogG= -0.623043 logG= -0.661719 Density= 3.416518 ETOT(band)= -1.568039 trlgG= -2.236571 logG= -0.661719 TDE= -4.399770 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039012 tlogG= -0.620500 logG= -0.659512 Density= 3.418934 ETOT(band)= -1.564103 trlgG= -2.229972 logG= -0.659512 TDE= -4.397376 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038748 tlogG= -0.620724 logG= -0.659472 Density= 3.416841 ETOT(band)= -1.566029 trlgG= -2.232386 logG= -0.659472 TDE= -4.398101 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039044 tlogG= -0.617161 logG= -0.656204 Density= 3.418545 ETOT(band)= -1.561540 trlgG= -2.226716 logG= -0.656204 TDE= -4.397107 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039256 tlogG= -0.612872 logG= -0.652128 Density= 3.419728 ETOT(band)= -1.557174 trlgG= -2.220668 logG= -0.652128 TDE= -4.396114 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039419 tlogG= -0.609719 logG= -0.649138 Density= 3.420682 ETOT(band)= -1.553871 trlgG= -2.215746 logG= -0.649138 TDE= -4.394970 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039041 tlogG= -0.617533 logG= -0.656574 Density= 3.418758 ETOT(band)= -1.561779 trlgG= -2.226625 logG= -0.656574 TDE= -4.396822 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038913 tlogG= -0.620289 logG= -0.659202 Density= 3.418014 ETOT(band)= -1.564619 trlgG= -2.230756 logG= -0.659202 TDE= -4.397711 logGD-logG0= -0.039177 tlogG= -0.611229 logG= -0.650406 Density= 3.419601 ETOT(band)= -1.556138 trlgG= -2.216680 logG= -0.650406 TDE= -4.393742 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039044 tlogG= -0.617887 logG= -0.656931 Density= 3.418995 ETOT(band)= -1.561981 trlgG= -2.226210 logG= -0.656931 TDE= -4.396246 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038949 tlogG= -0.619498 logG= -0.658447 Density= 3.417791 ETOT(band)= -1.563982 trlgG= -2.230649 logG= -0.658447 TDE= -4.398175 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038776 tlogG= -0.625225 logG= -0.664001 Density= 3.416679 ETOT(band)= -1.569315 trlgG= -2.241688 logG= -0.664001 TDE= -4.402739 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038719 tlogG= -0.625356 logG= -0.664074 Density= 3.416254 ETOT(band)= -1.569820 trlgG= -2.242259 logG= -0.664074 TDE= -4.402886 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039114 tlogG= -0.614058 logG= -0.653172 Density= 3.419275 ETOT(band)= -1.558693 trlgG= -2.220866 logG= -0.653172 TDE= -4.394892 logGD-logG0= -0.038797 tlogG= -0.623130 logG= -0.661927 Density= 3.416853 ETOT(band)= -1.567633 trlgG= -2.237493 logG= -0.661927 TDE= -4.400762 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039198 tlogG= -0.613016 logG= -0.652214 Density= 3.419225 ETOT(band)= -1.557753 trlgG= -2.221166 logG= -0.652214 TDE= -4.396109 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038902 tlogG= -0.620098 logG= -0.658999 Density= 3.417819 ETOT(band)= -1.564442 trlgG= -2.230577 logG= -0.658999 TDE= -4.397572 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039091 tlogG= -0.615743 logG= -0.654834 Density= 3.418591 ETOT(band)= -1.560410 trlgG= -2.225195 logG= -0.654834 TDE= -4.396994 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038843 tlogG= -0.620099 logG= -0.658942 Density= 3.417235 ETOT(band)= -1.565081 trlgG= -2.231723 logG= -0.658942 TDE= -4.398293 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039184 tlogG= -0.613473 logG= -0.652657 Density= 3.419491 ETOT(band)= -1.557949 trlgG= -2.221111 logG= -0.652657 TDE= -4.395831 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038895 tlogG= -0.619659 logG= -0.658554 Density= 3.417281 ETOT(band)= -1.564620 trlgG= -2.231321 logG= -0.658554 TDE= -4.398316 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038939 tlogG= -0.617449 logG= -0.656388 Density= 3.417615 ETOT(band)= -1.562689 trlgG= -2.227701 logG= -0.656388 TDE= -4.397139 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039298 tlogG= -0.610511 logG= -0.649810 Density= 3.420129 ETOT(band)= -1.555055 trlgG= -2.216673 logG= -0.649810 TDE= -4.394768 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 Sum of eigenvalues= -1021.61272624187 eV TrLogG= -1457.82086308499 eV Ratio to renormalize= 0.999685782574 rho-rho_expected= 0.051547855018 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 41) Finished k-point number 42 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 7) Finished k-point number 8 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 1) Finished k-point number 2 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800652965022841 0.802582004957554 0.802488154434520 0.800223867221898 0.803114777061847 0.802449128095798 0.800947925892328 0.802445268761527 0.802591515510268 0.800859423975607 0.802647184555720 0.802493638225665 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038746 tlogG= -0.623570 logG= -0.662316 Density= 3.416816 ETOT(band)= -1.568087 trlgG= -2.237453 logG= -0.662316 TDE= -4.400301 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038797 tlogG= -0.623130 logG= -0.661927 Density= 3.416852 ETOT(band)= -1.567632 trlgG= -2.237492 logG= -0.661927 TDE= -4.400760 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039023 tlogG= -0.614219 logG= -0.653242 Density= 3.418639 ETOT(band)= -1.559357 trlgG= -2.221503 logG= -0.653242 TDE= -4.394933 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038932 tlogG= -0.619913 logG= -0.658845 Density= 3.417886 ETOT(band)= -1.564331 trlgG= -2.230866 logG= -0.658845 TDE= -4.398071 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038725 tlogG= -0.622721 logG= -0.661446 Density= 3.416514 ETOT(band)= -1.567745 trlgG= -2.236662 logG= -0.661446 TDE= -4.400132 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038797 tlogG= -0.624856 logG= -0.663653 Density= 3.416439 ETOT(band)= -1.569204 trlgG= -2.242100 logG= -0.663653 TDE= -4.403301 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038822 tlogG= -0.626517 logG= -0.665339 Density= 3.416479 ETOT(band)= -1.570280 trlgG= -2.245398 logG= -0.665339 TDE= -4.404946 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038790 tlogG= -0.620498 logG= -0.659288 Density= 3.417203 ETOT(band)= -1.565482 trlgG= -2.231739 logG= -0.659288 TDE= -4.397937 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038780 tlogG= -0.622353 logG= -0.661132 Density= 3.416524 ETOT(band)= -1.567393 trlgG= -2.236754 logG= -0.661132 TDE= -4.400546 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038901 tlogG= -0.620098 logG= -0.659000 Density= 3.417819 ETOT(band)= -1.564441 trlgG= -2.230576 logG= -0.659000 TDE= -4.397571 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038642 tlogG= -0.625818 logG= -0.664459 Density= 3.416086 ETOT(band)= -1.570376 trlgG= -2.241843 logG= -0.664459 TDE= -4.401945 logGD-logG0= -0.038722 tlogG= -0.620968 logG= -0.659690 Density= 3.416994 ETOT(band)= -1.566140 trlgG= -2.232566 logG= -0.659690 TDE= -4.398188 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038634 tlogG= -0.627667 logG= -0.666300 Density= 3.415912 ETOT(band)= -1.571806 trlgG= -2.245337 logG= -0.666300 TDE= -4.403455 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038949 tlogG= -0.619498 logG= -0.658447 Density= 3.417791 ETOT(band)= -1.563981 trlgG= -2.230649 logG= -0.658447 TDE= -4.398173 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038912 tlogG= -0.620290 logG= -0.659202 Density= 3.418014 ETOT(band)= -1.564618 trlgG= -2.230755 logG= -0.659202 TDE= -4.397709 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038871 tlogG= -0.622420 logG= -0.661290 Density= 3.417571 ETOT(band)= -1.566520 trlgG= -2.235276 logG= -0.661290 TDE= -4.399776 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039110 tlogG= -0.613632 logG= -0.652742 Density= 3.418933 ETOT(band)= -1.558571 trlgG= -2.221685 logG= -0.652742 TDE= -4.395859 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038849 tlogG= -0.622674 logG= -0.661524 Density= 3.416930 ETOT(band)= -1.567133 trlgG= -2.237400 logG= -0.661524 TDE= -4.401136 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038726 tlogG= -0.627111 logG= -0.665836 Density= 3.416178 ETOT(band)= -1.571076 trlgG= -2.245761 logG= -0.665836 TDE= -4.404562 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039177 tlogG= -0.611229 logG= -0.650406 Density= 3.419600 ETOT(band)= -1.556138 trlgG= -2.216679 logG= -0.650406 TDE= -4.393740 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038729 tlogG= -0.625671 logG= -0.664400 Density= 3.416635 ETOT(band)= -1.569779 trlgG= -2.241147 logG= -0.664400 TDE= -4.401763 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038888 tlogG= -0.617856 logG= -0.656744 Density= 3.417598 ETOT(band)= -1.563089 trlgG= -2.227816 logG= -0.656744 TDE= -4.396884 logGD-logG0= -0.038676 tlogG= -0.623043 logG= -0.661720 Density= 3.416518 ETOT(band)= -1.568038 trlgG= -2.236570 logG= -0.661720 TDE= -4.399769 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039044 tlogG= -0.617887 logG= -0.656931 Density= 3.418994 ETOT(band)= -1.561980 trlgG= -2.226209 logG= -0.656931 TDE= -4.396245 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038835 tlogG= -0.618234 logG= -0.657070 Density= 3.417586 ETOT(band)= -1.563460 trlgG= -2.227626 logG= -0.657070 TDE= -4.396359 logGD-logG0= -0.038885 tlogG= -0.622701 logG= -0.661586 Density= 3.417883 ETOT(band)= -1.566587 trlgG= -2.234790 logG= -0.661586 TDE= -4.399252 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038781 tlogG= -0.620469 logG= -0.659250 Density= 3.416698 ETOT(band)= -1.565898 trlgG= -2.232350 logG= -0.659250 TDE= -4.398169 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039298 tlogG= -0.610512 logG= -0.649810 Density= 3.420129 ETOT(band)= -1.555054 trlgG= -2.216672 logG= -0.649810 TDE= -4.394766 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039198 tlogG= -0.613017 logG= -0.652214 Density= 3.419224 ETOT(band)= -1.557752 trlgG= -2.221165 logG= -0.652214 TDE= -4.396108 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038776 tlogG= -0.625226 logG= -0.664001 Density= 3.416679 ETOT(band)= -1.569314 trlgG= -2.241687 logG= -0.664001 TDE= -4.402737 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038718 tlogG= -0.625356 logG= -0.664075 Density= 3.416254 ETOT(band)= -1.569819 trlgG= -2.242258 logG= -0.664075 TDE= -4.402884 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039043 tlogG= -0.617161 logG= -0.656204 Density= 3.418544 ETOT(band)= -1.561539 trlgG= -2.226716 logG= -0.656204 TDE= -4.397105 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039041 tlogG= -0.617533 logG= -0.656574 Density= 3.418757 ETOT(band)= -1.561778 trlgG= -2.226624 logG= -0.656574 TDE= -4.396821 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039114 tlogG= -0.614059 logG= -0.653173 Density= 3.419275 ETOT(band)= -1.558692 trlgG= -2.220865 logG= -0.653173 TDE= -4.394891 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038748 tlogG= -0.620724 logG= -0.659472 Density= 3.416841 ETOT(band)= -1.566028 trlgG= -2.232386 logG= -0.659472 TDE= -4.398100 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039091 tlogG= -0.615743 logG= -0.654834 Density= 3.418591 ETOT(band)= -1.560409 trlgG= -2.225194 logG= -0.654834 TDE= -4.396993 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038972 tlogG= -0.616771 logG= -0.655743 Density= 3.418329 ETOT(band)= -1.561614 trlgG= -2.225396 logG= -0.655743 TDE= -4.396070 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039419 tlogG= -0.609720 logG= -0.649138 Density= 3.420681 ETOT(band)= -1.553870 trlgG= -2.215745 logG= -0.649138 TDE= -4.394968 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038939 tlogG= -0.617450 logG= -0.656388 Density= 3.417614 ETOT(band)= -1.562688 trlgG= -2.227700 logG= -0.656388 TDE= -4.397138 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039184 tlogG= -0.613474 logG= -0.652657 Density= 3.419490 ETOT(band)= -1.557949 trlgG= -2.221110 logG= -0.652657 TDE= -4.395830 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039256 tlogG= -0.612872 logG= -0.652128 Density= 3.419727 ETOT(band)= -1.557173 trlgG= -2.220667 logG= -0.652128 TDE= -4.396112 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039029 tlogG= -0.616259 logG= -0.655288 Density= 3.418444 ETOT(band)= -1.561023 trlgG= -2.225506 logG= -0.655288 TDE= -4.396729 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038861 tlogG= -0.622095 logG= -0.660956 Density= 3.417297 ETOT(band)= -1.566382 trlgG= -2.235584 logG= -0.660956 TDE= -4.400192 logGD-logG0= -0.039012 tlogG= -0.620501 logG= -0.659513 Density= 3.418934 ETOT(band)= -1.564102 trlgG= -2.229971 logG= -0.659513 TDE= -4.397375 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038895 tlogG= -0.619659 logG= -0.658554 Density= 3.417280 ETOT(band)= -1.564620 trlgG= -2.231320 logG= -0.658554 TDE= -4.398315 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038829 tlogG= -0.624753 logG= -0.663582 Density= 3.416751 ETOT(band)= -1.568796 trlgG= -2.241637 logG= -0.663582 TDE= -4.403167 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038953 tlogG= -0.620304 logG= -0.659257 Density= 3.418350 ETOT(band)= -1.564292 trlgG= -2.230277 logG= -0.659257 TDE= -4.397454 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038843 tlogG= -0.620099 logG= -0.658942 Density= 3.417234 ETOT(band)= -1.565080 trlgG= -2.231722 logG= -0.658942 TDE= -4.398291 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 Sum of eigenvalues= -1021.61213588035 eV TrLogG= -1457.82001140973 eV Ratio to renormalize= 0.999685963149 rho-rho_expected= 0.051518222194 nargs= 1 argi=dmft2.def 39) Finished k-point number 40 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 28) Finished k-point number 29 1 with #bands= 107 35) Finished k-point number 36 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 45) Finished k-point number 46 1 with #bands= 107 47) Finished k-point number 48 1 with #bands= 104 20) Finished k-point number 21 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800675518780370 0.802609776020903 0.802514118690986 0.800246486210018 0.803142506547294 0.802474846725902 0.800970432534283 0.802472969272085 0.802617451706517 0.800881827054275 0.802674975981733 0.802519544415692 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038795 tlogG= -0.620485 logG= -0.659280 Density= 3.417220 ETOT(band)= -1.565516 trlgG= -2.231764 logG= -0.659280 TDE= -4.397984 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038733 tlogG= -0.625657 logG= -0.664391 Density= 3.416652 ETOT(band)= -1.569812 trlgG= -2.241171 logG= -0.664391 TDE= -4.401810 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039182 tlogG= -0.611215 logG= -0.650397 Density= 3.419618 ETOT(band)= -1.556170 trlgG= -2.216708 logG= -0.650397 TDE= -4.393793 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038802 tlogG= -0.624842 logG= -0.663644 Density= 3.416456 ETOT(band)= -1.569237 trlgG= -2.242126 logG= -0.663644 TDE= -4.403350 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038854 tlogG= -0.622660 logG= -0.661514 Density= 3.416947 ETOT(band)= -1.567166 trlgG= -2.237425 logG= -0.661514 TDE= -4.401185 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.039115 tlogG= -0.613619 logG= -0.652733 Density= 3.418950 ETOT(band)= -1.558603 trlgG= -2.221715 logG= -0.652733 TDE= -4.395912 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038834 tlogG= -0.624739 logG= -0.663573 Density= 3.416768 ETOT(band)= -1.568829 trlgG= -2.241662 logG= -0.663573 TDE= -4.403216 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038681 tlogG= -0.623030 logG= -0.661711 Density= 3.416534 ETOT(band)= -1.568072 trlgG= -2.236593 logG= -0.661711 TDE= -4.399814 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038727 tlogG= -0.620954 logG= -0.659682 Density= 3.417010 ETOT(band)= -1.566174 trlgG= -2.232588 logG= -0.659682 TDE= -4.398233 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038890 tlogG= -0.622688 logG= -0.661577 Density= 3.417899 ETOT(band)= -1.566621 trlgG= -2.234814 logG= -0.661577 TDE= -4.399298 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038827 tlogG= -0.626503 logG= -0.665330 Density= 3.416496 ETOT(band)= -1.570313 trlgG= -2.245422 logG= -0.665330 TDE= -4.404994 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039046 tlogG= -0.617519 logG= -0.656565 Density= 3.418774 ETOT(band)= -1.561812 trlgG= -2.226652 logG= -0.656565 TDE= -4.396872 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038917 tlogG= -0.620276 logG= -0.659193 Density= 3.418031 ETOT(band)= -1.564651 trlgG= -2.230781 logG= -0.659193 TDE= -4.397757 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038785 tlogG= -0.622339 logG= -0.661123 Density= 3.416540 ETOT(band)= -1.567427 trlgG= -2.236780 logG= -0.661123 TDE= -4.400594 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038639 tlogG= -0.627653 logG= -0.666291 Density= 3.415929 ETOT(band)= -1.571839 trlgG= -2.245362 logG= -0.666291 TDE= -4.403503 logGD-logG0= -0.038751 tlogG= -0.623556 logG= -0.662307 Density= 3.416832 ETOT(band)= -1.568120 trlgG= -2.237476 logG= -0.662307 TDE= -4.400348 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038866 tlogG= -0.622081 logG= -0.660947 Density= 3.417314 ETOT(band)= -1.566415 trlgG= -2.235610 logG= -0.660947 TDE= -4.400240 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039028 tlogG= -0.614206 logG= -0.653233 Density= 3.418656 ETOT(band)= -1.559391 trlgG= -2.221531 logG= -0.653233 TDE= -4.394985 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039119 tlogG= -0.614045 logG= -0.653164 Density= 3.419292 ETOT(band)= -1.558725 trlgG= -2.220894 logG= -0.653164 TDE= -4.394943 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039034 tlogG= -0.616246 logG= -0.655279 Density= 3.418461 ETOT(band)= -1.561056 trlgG= -2.225536 logG= -0.655279 TDE= -4.396782 logGD-logG0= -0.038723 tlogG= -0.625342 logG= -0.664065 Density= 3.416270 ETOT(band)= -1.569852 trlgG= -2.242284 logG= -0.664065 TDE= -4.402933 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039303 tlogG= -0.610498 logG= -0.649801 Density= 3.420147 ETOT(band)= -1.555087 trlgG= -2.216701 logG= -0.649801 TDE= -4.394819 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038848 tlogG= -0.620086 logG= -0.658933 Density= 3.417251 ETOT(band)= -1.565113 trlgG= -2.231746 logG= -0.658933 TDE= -4.398338 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038936 tlogG= -0.619900 logG= -0.658836 Density= 3.417903 ETOT(band)= -1.564365 trlgG= -2.230891 logG= -0.658836 TDE= -4.398119 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039202 tlogG= -0.613003 logG= -0.652205 Density= 3.419242 ETOT(band)= -1.557785 trlgG= -2.221194 logG= -0.652205 TDE= -4.396161 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038731 tlogG= -0.627097 logG= -0.665827 Density= 3.416194 ETOT(band)= -1.571109 trlgG= -2.245786 logG= -0.665827 TDE= -4.404610 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038893 tlogG= -0.617842 logG= -0.656736 Density= 3.417615 ETOT(band)= -1.563123 trlgG= -2.227844 logG= -0.656736 TDE= -4.396935 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038977 tlogG= -0.616757 logG= -0.655734 Density= 3.418346 ETOT(band)= -1.561648 trlgG= -2.225424 logG= -0.655734 TDE= -4.396121 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038840 tlogG= -0.618221 logG= -0.657061 Density= 3.417603 ETOT(band)= -1.563494 trlgG= -2.227653 logG= -0.657061 TDE= -4.396409 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038875 tlogG= -0.622406 logG= -0.661281 Density= 3.417588 ETOT(band)= -1.566554 trlgG= -2.235302 logG= -0.661281 TDE= -4.399824 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038781 tlogG= -0.625212 logG= -0.663992 Density= 3.416695 ETOT(band)= -1.569347 trlgG= -2.241712 logG= -0.663992 TDE= -4.402785 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039188 tlogG= -0.613460 logG= -0.652648 Density= 3.419508 ETOT(band)= -1.557982 trlgG= -2.221140 logG= -0.652648 TDE= -4.395883 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039424 tlogG= -0.609706 logG= -0.649129 Density= 3.420699 ETOT(band)= -1.553902 trlgG= -2.215774 logG= -0.649129 TDE= -4.395021 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038900 tlogG= -0.619645 logG= -0.658545 Density= 3.417297 ETOT(band)= -1.564653 trlgG= -2.231345 logG= -0.658545 TDE= -4.398363 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038785 tlogG= -0.620455 logG= -0.659241 Density= 3.416715 ETOT(band)= -1.565932 trlgG= -2.232374 logG= -0.659241 TDE= -4.398215 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039096 tlogG= -0.615729 logG= -0.654825 Density= 3.418608 ETOT(band)= -1.560442 trlgG= -2.225223 logG= -0.654825 TDE= -4.397046 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039017 tlogG= -0.620487 logG= -0.659504 Density= 3.418950 ETOT(band)= -1.564136 trlgG= -2.229994 logG= -0.659504 TDE= -4.397420 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038801 tlogG= -0.623117 logG= -0.661918 Density= 3.416869 ETOT(band)= -1.567666 trlgG= -2.237517 logG= -0.661918 TDE= -4.400808 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038753 tlogG= -0.620710 logG= -0.659463 Density= 3.416857 ETOT(band)= -1.566062 trlgG= -2.232410 logG= -0.659463 TDE= -4.398146 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039049 tlogG= -0.617874 logG= -0.656922 Density= 3.419011 ETOT(band)= -1.562014 trlgG= -2.226236 logG= -0.656922 TDE= -4.396294 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038730 tlogG= -0.622707 logG= -0.661437 Density= 3.416531 ETOT(band)= -1.567779 trlgG= -2.236688 logG= -0.661437 TDE= -4.400180 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038954 tlogG= -0.619484 logG= -0.658438 Density= 3.417808 ETOT(band)= -1.564014 trlgG= -2.230675 logG= -0.658438 TDE= -4.398223 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039260 tlogG= -0.612858 logG= -0.652119 Density= 3.419745 ETOT(band)= -1.557206 trlgG= -2.220697 logG= -0.652119 TDE= -4.396165 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038943 tlogG= -0.617436 logG= -0.656379 Density= 3.417631 ETOT(band)= -1.562721 trlgG= -2.227729 logG= -0.656379 TDE= -4.397189 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038958 tlogG= -0.620291 logG= -0.659248 Density= 3.418367 ETOT(band)= -1.564326 trlgG= -2.230301 logG= -0.659248 TDE= -4.397500 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038646 tlogG= -0.625804 logG= -0.664450 Density= 3.416102 ETOT(band)= -1.570409 trlgG= -2.241867 logG= -0.664450 TDE= -4.401992 logGD-logG0= -0.039048 tlogG= -0.617147 logG= -0.656196 Density= 3.418561 ETOT(band)= -1.561572 trlgG= -2.226744 logG= -0.656196 TDE= -4.397156 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038906 tlogG= -0.620085 logG= -0.658991 Density= 3.417835 ETOT(band)= -1.564474 trlgG= -2.230601 logG= -0.658991 TDE= -4.397618 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 Sum of eigenvalues= -1021.63397090465 eV TrLogG= -1457.84622247987 eV Ratio to renormalize= 0.999681001454 rho-rho_expected= 0.052332455494 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 33) Finished k-point number 34 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 23) Finished k-point number 24 1 with #bands= 107 28) Finished k-point number 29 1 with #bands= 107 47) Finished k-point number 48 1 with #bands= 104 19) Finished k-point number 20 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800651893592439 0.802590097380014 0.802493315166686 0.800222741131610 0.803122738810621 0.802454376328334 0.800946857697642 0.802453367560668 0.802596658389954 0.800858289817616 0.802655319298455 0.802498791700231 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039109 tlogG= -0.613616 logG= -0.652725 Density= 3.418932 ETOT(band)= -1.558568 trlgG= -2.221667 logG= -0.652725 TDE= -4.395857 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038834 tlogG= -0.618218 logG= -0.657052 Density= 3.417586 ETOT(band)= -1.563458 trlgG= -2.227608 logG= -0.657052 TDE= -4.396358 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039418 tlogG= -0.609703 logG= -0.649121 Density= 3.420681 ETOT(band)= -1.553867 trlgG= -2.215726 logG= -0.649121 TDE= -4.394966 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038789 tlogG= -0.620482 logG= -0.659271 Density= 3.417203 ETOT(band)= -1.565480 trlgG= -2.231721 logG= -0.659271 TDE= -4.397935 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038728 tlogG= -0.625655 logG= -0.664382 Density= 3.416634 ETOT(band)= -1.569777 trlgG= -2.241129 logG= -0.664382 TDE= -4.401761 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038828 tlogG= -0.624736 logG= -0.663565 Density= 3.416751 ETOT(band)= -1.568794 trlgG= -2.241619 logG= -0.663565 TDE= -4.403165 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038971 tlogG= -0.616754 logG= -0.655726 Density= 3.418328 ETOT(band)= -1.561612 trlgG= -2.225378 logG= -0.655726 TDE= -4.396069 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038633 tlogG= -0.627650 logG= -0.666283 Density= 3.415911 ETOT(band)= -1.571804 trlgG= -2.245319 logG= -0.666283 TDE= -4.403453 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038796 tlogG= -0.624840 logG= -0.663636 Density= 3.416439 ETOT(band)= -1.569202 trlgG= -2.242082 logG= -0.663636 TDE= -4.403299 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039197 tlogG= -0.613000 logG= -0.652197 Density= 3.419224 ETOT(band)= -1.557749 trlgG= -2.221147 logG= -0.652197 TDE= -4.396106 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038722 tlogG= -0.620951 logG= -0.659673 Density= 3.416993 ETOT(band)= -1.566138 trlgG= -2.232548 logG= -0.659673 TDE= -4.398186 logGD-logG0= -0.038884 tlogG= -0.622685 logG= -0.661569 Density= 3.417882 ETOT(band)= -1.566584 trlgG= -2.234771 logG= -0.661569 TDE= -4.399250 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039113 tlogG= -0.614042 logG= -0.653155 Density= 3.419274 ETOT(band)= -1.558689 trlgG= -2.220847 logG= -0.653155 TDE= -4.394890 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038779 tlogG= -0.622336 logG= -0.661115 Density= 3.416523 ETOT(band)= -1.567391 trlgG= -2.236736 logG= -0.661115 TDE= -4.400543 logGD-logG0= -0.038931 tlogG= -0.619897 logG= -0.658828 Density= 3.417886 ETOT(band)= -1.564329 trlgG= -2.230847 logG= -0.658828 TDE= -4.398069 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038849 tlogG= -0.622658 logG= -0.661506 Density= 3.416929 ETOT(band)= -1.567131 trlgG= -2.237382 logG= -0.661506 TDE= -4.401134 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038822 tlogG= -0.626500 logG= -0.665322 Density= 3.416479 ETOT(band)= -1.570278 trlgG= -2.245379 logG= -0.665322 TDE= -4.404943 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038870 tlogG= -0.622403 logG= -0.661273 Density= 3.417570 ETOT(band)= -1.566518 trlgG= -2.235258 logG= -0.661273 TDE= -4.399774 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038724 tlogG= -0.622705 logG= -0.661429 Density= 3.416513 ETOT(band)= -1.567743 trlgG= -2.236644 logG= -0.661429 TDE= -4.400130 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038888 tlogG= -0.617840 logG= -0.656727 Density= 3.417598 ETOT(band)= -1.563087 trlgG= -2.227798 logG= -0.656727 TDE= -4.396882 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039028 tlogG= -0.616243 logG= -0.655271 Density= 3.418444 ETOT(band)= -1.561021 trlgG= -2.225488 logG= -0.655271 TDE= -4.396728 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038938 tlogG= -0.617433 logG= -0.656371 Density= 3.417614 ETOT(band)= -1.562686 trlgG= -2.227682 logG= -0.656371 TDE= -4.397136 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039043 tlogG= -0.617144 logG= -0.656187 Density= 3.418543 ETOT(band)= -1.561536 trlgG= -2.226697 logG= -0.656187 TDE= -4.397104 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038895 tlogG= -0.619643 logG= -0.658537 Density= 3.417279 ETOT(band)= -1.564618 trlgG= -2.231302 logG= -0.658537 TDE= -4.398313 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038718 tlogG= -0.625340 logG= -0.664057 Density= 3.416253 ETOT(band)= -1.569817 trlgG= -2.242240 logG= -0.664057 TDE= -4.402882 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039043 tlogG= -0.617871 logG= -0.656914 Density= 3.418994 ETOT(band)= -1.561977 trlgG= -2.226191 logG= -0.656914 TDE= -4.396243 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038912 tlogG= -0.620273 logG= -0.659185 Density= 3.418013 ETOT(band)= -1.564615 trlgG= -2.230737 logG= -0.659185 TDE= -4.397707 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039183 tlogG= -0.613457 logG= -0.652640 Density= 3.419490 ETOT(band)= -1.557946 trlgG= -2.221092 logG= -0.652640 TDE= -4.395828 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038775 tlogG= -0.625209 logG= -0.663984 Density= 3.416678 ETOT(band)= -1.569312 trlgG= -2.241668 logG= -0.663984 TDE= -4.402735 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039090 tlogG= -0.615727 logG= -0.654817 Density= 3.418590 ETOT(band)= -1.560407 trlgG= -2.225176 logG= -0.654817 TDE= -4.396992 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039040 tlogG= -0.617516 logG= -0.656557 Density= 3.418757 ETOT(band)= -1.561776 trlgG= -2.226606 logG= -0.656557 TDE= -4.396819 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038745 tlogG= -0.623554 logG= -0.662299 Density= 3.416815 ETOT(band)= -1.568085 trlgG= -2.237434 logG= -0.662299 TDE= -4.400300 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039022 tlogG= -0.614203 logG= -0.653225 Density= 3.418638 ETOT(band)= -1.559355 trlgG= -2.221485 logG= -0.653225 TDE= -4.394932 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038725 tlogG= -0.627094 logG= -0.665819 Density= 3.416177 ETOT(band)= -1.571074 trlgG= -2.245742 logG= -0.665819 TDE= -4.404560 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039255 tlogG= -0.612856 logG= -0.652110 Density= 3.419727 ETOT(band)= -1.557170 trlgG= -2.220649 logG= -0.652110 TDE= -4.396111 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038952 tlogG= -0.620288 logG= -0.659240 Density= 3.418350 ETOT(band)= -1.564289 trlgG= -2.230258 logG= -0.659240 TDE= -4.397451 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038901 tlogG= -0.620082 logG= -0.658982 Density= 3.417818 ETOT(band)= -1.564438 trlgG= -2.230557 logG= -0.658982 TDE= -4.397569 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038948 tlogG= -0.619481 logG= -0.658430 Density= 3.417790 ETOT(band)= -1.563978 trlgG= -2.230630 logG= -0.658430 TDE= -4.398172 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038747 tlogG= -0.620708 logG= -0.659455 Density= 3.416840 ETOT(band)= -1.566026 trlgG= -2.232367 logG= -0.659455 TDE= -4.398098 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038780 tlogG= -0.620453 logG= -0.659233 Density= 3.416697 ETOT(band)= -1.565896 trlgG= -2.232332 logG= -0.659233 TDE= -4.398166 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038796 tlogG= -0.623114 logG= -0.661910 Density= 3.416851 ETOT(band)= -1.567630 trlgG= -2.237474 logG= -0.661910 TDE= -4.400758 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038842 tlogG= -0.620083 logG= -0.658925 Density= 3.417234 ETOT(band)= -1.565078 trlgG= -2.231704 logG= -0.658925 TDE= -4.398289 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039011 tlogG= -0.620484 logG= -0.659495 Density= 3.418933 ETOT(band)= -1.564100 trlgG= -2.229952 logG= -0.659495 TDE= -4.397373 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038860 tlogG= -0.622078 logG= -0.660938 Density= 3.417297 ETOT(band)= -1.566380 trlgG= -2.235565 logG= -0.660938 TDE= -4.400190 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039297 tlogG= -0.610495 logG= -0.649792 Density= 3.420128 ETOT(band)= -1.555052 trlgG= -2.216653 logG= -0.649792 TDE= -4.394765 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038641 tlogG= -0.625801 logG= -0.664442 Density= 3.416085 ETOT(band)= -1.570374 trlgG= -2.241825 logG= -0.664442 TDE= -4.401943 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038676 tlogG= -0.623027 logG= -0.661703 Density= 3.416517 ETOT(band)= -1.568036 trlgG= -2.236552 logG= -0.661703 TDE= -4.399767 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039176 tlogG= -0.611213 logG= -0.650389 Density= 3.419600 ETOT(band)= -1.556135 trlgG= -2.216660 logG= -0.650389 TDE= -4.393739 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 Sum of eigenvalues= -1021.61072070433 eV TrLogG= -1457.80761715562 eV Ratio to renormalize= 0.999686160322 rho-rho_expected= 0.051485865487 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 1) Finished k-point number 2 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 3) Finished k-point number 4 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 17) Finished k-point number 18 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 43) Finished k-point number 44 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800646878987669 0.802589220078755 0.802490043076735 0.800217703424139 0.803121840398452 0.802451185242444 0.800941863735683 0.802452547949112 0.802593419229107 0.800853264731396 0.802654496529776 0.802495537724364 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038820 tlogG= -0.626489 logG= -0.665309 Density= 3.416474 ETOT(band)= -1.570252 trlgG= -2.245339 logG= -0.665309 TDE= -4.404913 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039108 tlogG= -0.613604 logG= -0.652711 Density= 3.418927 ETOT(band)= -1.558541 trlgG= -2.221626 logG= -0.652711 TDE= -4.395826 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038727 tlogG= -0.625643 logG= -0.664369 Density= 3.416629 ETOT(band)= -1.569750 trlgG= -2.241090 logG= -0.664369 TDE= -4.401731 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038795 tlogG= -0.624828 logG= -0.663623 Density= 3.416434 ETOT(band)= -1.569175 trlgG= -2.242042 logG= -0.663623 TDE= -4.403269 logGD-logG0= -0.038929 tlogG= -0.619885 logG= -0.658814 Density= 3.417881 ETOT(band)= -1.564302 trlgG= -2.230807 logG= -0.658814 TDE= -4.398039 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038883 tlogG= -0.622673 logG= -0.661556 Density= 3.417877 ETOT(band)= -1.566558 trlgG= -2.234732 logG= -0.661556 TDE= -4.399220 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038746 tlogG= -0.620695 logG= -0.659441 Density= 3.416835 ETOT(band)= -1.565999 trlgG= -2.232327 logG= -0.659441 TDE= -4.398067 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038744 tlogG= -0.623542 logG= -0.662286 Density= 3.416810 ETOT(band)= -1.568058 trlgG= -2.237395 logG= -0.662286 TDE= -4.400269 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038774 tlogG= -0.625197 logG= -0.663971 Density= 3.416673 ETOT(band)= -1.569285 trlgG= -2.241629 logG= -0.663971 TDE= -4.402705 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038632 tlogG= -0.627638 logG= -0.666270 Density= 3.415906 ETOT(band)= -1.571778 trlgG= -2.245280 logG= -0.666270 TDE= -4.403423 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039195 tlogG= -0.612988 logG= -0.652183 Density= 3.419219 ETOT(band)= -1.557722 trlgG= -2.221106 logG= -0.652183 TDE= -4.396075 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038779 tlogG= -0.620440 logG= -0.659219 Density= 3.416692 ETOT(band)= -1.565869 trlgG= -2.232292 logG= -0.659219 TDE= -4.398136 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038970 tlogG= -0.616742 logG= -0.655712 Density= 3.418323 ETOT(band)= -1.561585 trlgG= -2.225338 logG= -0.655712 TDE= -4.396038 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038778 tlogG= -0.622324 logG= -0.661102 Density= 3.416518 ETOT(band)= -1.567365 trlgG= -2.236696 logG= -0.661102 TDE= -4.400513 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038788 tlogG= -0.620470 logG= -0.659258 Density= 3.417198 ETOT(band)= -1.565454 trlgG= -2.231681 logG= -0.659258 TDE= -4.397904 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038833 tlogG= -0.618206 logG= -0.657039 Density= 3.417581 ETOT(band)= -1.563431 trlgG= -2.227568 logG= -0.657039 TDE= -4.396327 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039041 tlogG= -0.617132 logG= -0.656174 Density= 3.418539 ETOT(band)= -1.561509 trlgG= -2.226657 logG= -0.656174 TDE= -4.397073 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038794 tlogG= -0.623102 logG= -0.661897 Density= 3.416846 ETOT(band)= -1.567604 trlgG= -2.237434 logG= -0.661897 TDE= -4.400728 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038847 tlogG= -0.622646 logG= -0.661493 Density= 3.416925 ETOT(band)= -1.567105 trlgG= -2.237342 logG= -0.661493 TDE= -4.401104 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039039 tlogG= -0.617504 logG= -0.656543 Density= 3.418752 ETOT(band)= -1.561749 trlgG= -2.226565 logG= -0.656543 TDE= -4.396788 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038910 tlogG= -0.620261 logG= -0.659172 Density= 3.418008 ETOT(band)= -1.564589 trlgG= -2.230697 logG= -0.659172 TDE= -4.397677 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038639 tlogG= -0.625789 logG= -0.664429 Density= 3.416080 ETOT(band)= -1.570347 trlgG= -2.241786 logG= -0.664429 TDE= -4.401913 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038720 tlogG= -0.620939 logG= -0.659659 Density= 3.416988 ETOT(band)= -1.566112 trlgG= -2.232508 logG= -0.659659 TDE= -4.398157 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039112 tlogG= -0.614030 logG= -0.653142 Density= 3.419269 ETOT(band)= -1.558662 trlgG= -2.220807 logG= -0.653142 TDE= -4.394859 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038723 tlogG= -0.622693 logG= -0.661416 Density= 3.416509 ETOT(band)= -1.567717 trlgG= -2.236604 logG= -0.661416 TDE= -4.400099 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039021 tlogG= -0.614191 logG= -0.653211 Density= 3.418633 ETOT(band)= -1.559328 trlgG= -2.221444 logG= -0.653211 TDE= -4.394901 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039027 tlogG= -0.616231 logG= -0.655258 Density= 3.418439 ETOT(band)= -1.560994 trlgG= -2.225447 logG= -0.655258 TDE= -4.396697 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038724 tlogG= -0.627083 logG= -0.665806 Density= 3.416172 ETOT(band)= -1.571048 trlgG= -2.245703 logG= -0.665806 TDE= -4.404529 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039089 tlogG= -0.615714 logG= -0.654803 Density= 3.418585 ETOT(band)= -1.560380 trlgG= -2.225135 logG= -0.654803 TDE= -4.396960 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039010 tlogG= -0.620472 logG= -0.659482 Density= 3.418928 ETOT(band)= -1.564073 trlgG= -2.229913 logG= -0.659482 TDE= -4.397343 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038827 tlogG= -0.624725 logG= -0.663552 logGD-logG0= -0.038886 tlogG= -0.617827 logG= -0.656714 Density= 3.417593 ETOT(band)= -1.563060 trlgG= -2.227757 logG= -0.656714 TDE= -4.396851 Density= 3.416746 ETOT(band)= -1.568768 trlgG= -2.241579 logG= -0.663552 TDE= -4.403135 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038951 tlogG= -0.620275 logG= -0.659226 Density= 3.418345 ETOT(band)= -1.564263 trlgG= -2.230218 logG= -0.659226 TDE= -4.397421 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039175 tlogG= -0.611200 logG= -0.650375 Density= 3.419595 ETOT(band)= -1.556108 trlgG= -2.216619 logG= -0.650375 TDE= -4.393708 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038859 tlogG= -0.622066 logG= -0.660925 Density= 3.417292 ETOT(band)= -1.566353 trlgG= -2.235525 logG= -0.660925 TDE= -4.400159 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038936 tlogG= -0.617421 logG= -0.656357 Density= 3.417609 ETOT(band)= -1.562659 trlgG= -2.227641 logG= -0.656357 TDE= -4.397105 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038868 tlogG= -0.622391 logG= -0.661260 Density= 3.417565 ETOT(band)= -1.566492 trlgG= -2.235218 logG= -0.661260 TDE= -4.399743 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039416 tlogG= -0.609691 logG= -0.649107 Density= 3.420676 ETOT(band)= -1.553840 trlgG= -2.215685 logG= -0.649107 TDE= -4.394935 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038899 tlogG= -0.620070 logG= -0.658969 Density= 3.417813 ETOT(band)= -1.564411 trlgG= -2.230517 logG= -0.658969 TDE= -4.397538 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039253 tlogG= -0.612843 logG= -0.652097 Density= 3.419722 ETOT(band)= -1.557143 trlgG= -2.220608 logG= -0.652097 TDE= -4.396080 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039181 tlogG= -0.613445 logG= -0.652626 Density= 3.419485 ETOT(band)= -1.557919 trlgG= -2.221051 logG= -0.652626 TDE= -4.395797 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038716 tlogG= -0.625328 logG= -0.664044 Density= 3.416248 ETOT(band)= -1.569790 trlgG= -2.242200 logG= -0.664044 TDE= -4.402852 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039042 tlogG= -0.617859 logG= -0.656900 Density= 3.418989 ETOT(band)= -1.561951 trlgG= -2.226151 logG= -0.656900 TDE= -4.396213 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039296 tlogG= -0.610483 logG= -0.649779 Density= 3.420123 ETOT(band)= -1.555025 trlgG= -2.216612 logG= -0.649779 TDE= -4.394734 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038841 tlogG= -0.620071 logG= -0.658912 Density= 3.417229 ETOT(band)= -1.565051 trlgG= -2.231664 logG= -0.658912 TDE= -4.398259 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038893 tlogG= -0.619631 logG= -0.658524 Density= 3.417274 ETOT(band)= -1.564590 trlgG= -2.231262 logG= -0.658524 TDE= -4.398282 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038947 tlogG= -0.619469 logG= -0.658416 Density= 3.417785 ETOT(band)= -1.563952 trlgG= -2.230590 logG= -0.658416 TDE= -4.398141 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038674 tlogG= -0.623015 logG= -0.661689 Density= 3.416512 ETOT(band)= -1.568009 trlgG= -2.236513 logG= -0.661689 TDE= -4.399737 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 Sum of eigenvalues= -1021.59325418336 eV TrLogG= -1457.77880432466 eV Ratio to renormalize= 0.999687613332 rho-rho_expected= 0.051247422554 nargs= 1 argi=dmft2.def 31) Finished k-point number 32 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 39) Finished k-point number 40 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 44) Finished k-point number 45 1 with #bands= 107 37) Finished k-point number 38 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 3) Finished k-point number 4 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800764939682528 0.802700564942014 0.802602321312980 0.800336141156247 0.803233285522131 0.802562356043800 0.801059407215198 0.802564266840189 0.802705499386074 0.800970661187143 0.802766401579425 0.802607300369393 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038658 tlogG= -0.627610 logG= -0.666268 Density= 3.415989 ETOT(band)= -1.571889 trlgG= -2.245390 logG= -0.666268 TDE= -4.403603 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.039201 tlogG= -0.611171 logG= -0.650373 Density= 3.419682 ETOT(band)= -1.556217 trlgG= -2.216748 logG= -0.650373 TDE= -4.393910 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039134 tlogG= -0.613575 logG= -0.652709 Density= 3.419013 ETOT(band)= -1.558651 trlgG= -2.221757 logG= -0.652709 TDE= -4.396030 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038805 tlogG= -0.620412 logG= -0.659217 Density= 3.416775 ETOT(band)= -1.565981 trlgG= -2.232396 logG= -0.659217 TDE= -4.398311 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038996 tlogG= -0.616714 logG= -0.655710 Density= 3.418407 ETOT(band)= -1.561698 trlgG= -2.225461 logG= -0.655710 TDE= -4.396232 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039053 tlogG= -0.616202 logG= -0.655255 Density= 3.418523 ETOT(band)= -1.561105 trlgG= -2.225578 logG= -0.655255 TDE= -4.396900 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038666 tlogG= -0.625761 logG= -0.664427 Density= 3.416162 ETOT(band)= -1.570460 trlgG= -2.241890 logG= -0.664427 TDE= -4.402087 logGD-logG0= -0.038936 tlogG= -0.620234 logG= -0.659170 Density= 3.418089 ETOT(band)= -1.564703 trlgG= -2.230809 logG= -0.659170 TDE= -4.397857 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038753 tlogG= -0.625615 logG= -0.664368 Density= 3.416711 ETOT(band)= -1.569864 trlgG= -2.241196 logG= -0.664368 TDE= -4.401907 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038847 tlogG= -0.626459 logG= -0.665305 Density= 3.416558 ETOT(band)= -1.570362 trlgG= -2.245449 logG= -0.665305 TDE= -4.405096 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039208 tlogG= -0.613416 logG= -0.652624 Density= 3.419570 ETOT(band)= -1.558030 trlgG= -2.221183 logG= -0.652624 TDE= -4.396001 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038956 tlogG= -0.619857 logG= -0.658813 Density= 3.417963 ETOT(band)= -1.564416 trlgG= -2.230921 logG= -0.658813 TDE= -4.398222 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038814 tlogG= -0.620442 logG= -0.659256 Density= 3.417280 ETOT(band)= -1.565567 trlgG= -2.231788 logG= -0.659256 TDE= -4.398080 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038749 tlogG= -0.622665 logG= -0.661414 Density= 3.416591 ETOT(band)= -1.567830 trlgG= -2.236715 logG= -0.661414 TDE= -4.400280 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038963 tlogG= -0.617392 logG= -0.656355 Density= 3.417693 ETOT(band)= -1.562770 trlgG= -2.227767 logG= -0.656355 TDE= -4.397303 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038770 tlogG= -0.623514 logG= -0.662284 Density= 3.416892 ETOT(band)= -1.568172 trlgG= -2.237499 logG= -0.662284 TDE= -4.400443 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038909 tlogG= -0.622646 logG= -0.661555 Density= 3.417957 ETOT(band)= -1.566674 trlgG= -2.234838 logG= -0.661555 TDE= -4.399391 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039115 tlogG= -0.615685 logG= -0.654800 Density= 3.418671 ETOT(band)= -1.560490 trlgG= -2.225265 logG= -0.654800 TDE= -4.397164 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039280 tlogG= -0.612814 logG= -0.652094 Density= 3.419808 ETOT(band)= -1.557253 trlgG= -2.220738 logG= -0.652094 TDE= -4.396283 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038853 tlogG= -0.624695 logG= -0.663549 Density= 3.416829 ETOT(band)= -1.568879 trlgG= -2.241690 logG= -0.663549 TDE= -4.403318 logGD-logG0= -0.038821 tlogG= -0.624798 logG= -0.663620 Density= 3.416517 ETOT(band)= -1.569286 trlgG= -2.242153 logG= -0.663620 TDE= -4.403452 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038895 tlogG= -0.622364 logG= -0.661258 Density= 3.417646 ETOT(band)= -1.566606 trlgG= -2.235332 logG= -0.661258 TDE= -4.399925 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039068 tlogG= -0.617832 logG= -0.656900 Density= 3.419069 ETOT(band)= -1.562066 trlgG= -2.226270 logG= -0.656900 TDE= -4.396399 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038859 tlogG= -0.618178 logG= -0.657038 Density= 3.417663 ETOT(band)= -1.563545 trlgG= -2.227685 logG= -0.657038 TDE= -4.396514 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039047 tlogG= -0.614162 logG= -0.653209 Density= 3.418718 ETOT(band)= -1.559439 trlgG= -2.221569 logG= -0.653209 TDE= -4.395098 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038800 tlogG= -0.625169 logG= -0.663969 Density= 3.416755 ETOT(band)= -1.569398 trlgG= -2.241741 logG= -0.663969 TDE= -4.402887 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038750 tlogG= -0.627053 logG= -0.665803 Density= 3.416255 ETOT(band)= -1.571159 trlgG= -2.245814 logG= -0.665803 TDE= -4.404712 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038913 tlogG= -0.617799 logG= -0.656712 Density= 3.417676 ETOT(band)= -1.563173 trlgG= -2.227882 logG= -0.656712 TDE= -4.397047 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038700 tlogG= -0.622988 logG= -0.661688 Density= 3.416593 ETOT(band)= -1.568123 trlgG= -2.236611 logG= -0.661688 TDE= -4.399905 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038804 tlogG= -0.622296 logG= -0.661100 Density= 3.416601 ETOT(band)= -1.567476 trlgG= -2.236808 logG= -0.661100 TDE= -4.400696 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039138 tlogG= -0.614002 logG= -0.653140 Density= 3.419353 ETOT(band)= -1.558774 trlgG= -2.220934 logG= -0.653140 TDE= -4.395057 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039065 tlogG= -0.617477 logG= -0.656542 Density= 3.418834 ETOT(band)= -1.561863 trlgG= -2.226690 logG= -0.656542 TDE= -4.396982 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038925 tlogG= -0.620042 logG= -0.658968 Density= 3.417895 ETOT(band)= -1.564525 trlgG= -2.230627 logG= -0.658968 TDE= -4.397717 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039443 tlogG= -0.609660 logG= -0.649104 Density= 3.420765 ETOT(band)= -1.553947 trlgG= -2.215812 logG= -0.649104 TDE= -4.395139 logGD-logG0= -0.038747 tlogG= -0.620912 logG= -0.659659 Density= 3.417069 ETOT(band)= -1.566226 trlgG= -2.232606 logG= -0.659659 TDE= -4.398322 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038821 tlogG= -0.623074 logG= -0.661894 Density= 3.416929 ETOT(band)= -1.567716 trlgG= -2.237544 logG= -0.661894 TDE= -4.400909 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038973 tlogG= -0.619441 logG= -0.658414 Density= 3.417869 ETOT(band)= -1.564063 trlgG= -2.230706 logG= -0.658414 TDE= -4.398328 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038874 tlogG= -0.622617 logG= -0.661490 Density= 3.417008 ETOT(band)= -1.567215 trlgG= -2.237452 logG= -0.661490 TDE= -4.401286 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038743 tlogG= -0.625299 logG= -0.664042 Density= 3.416330 ETOT(band)= -1.569902 trlgG= -2.242312 logG= -0.664042 TDE= -4.403035 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039222 tlogG= -0.612958 logG= -0.652180 Density= 3.419306 ETOT(band)= -1.557831 trlgG= -2.221235 logG= -0.652180 TDE= -4.396279 logGD-logG0= -0.038920 tlogG= -0.619602 logG= -0.658521 Density= 3.417358 ETOT(band)= -1.564701 trlgG= -2.231370 logG= -0.658521 TDE= -4.398462 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039036 tlogG= -0.620446 logG= -0.659482 Density= 3.419006 ETOT(band)= -1.564191 trlgG= -2.230016 logG= -0.659482 TDE= -4.397511 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039323 tlogG= -0.610453 logG= -0.649776 Density= 3.420211 ETOT(band)= -1.555133 trlgG= -2.216741 logG= -0.649776 TDE= -4.394938 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038867 tlogG= -0.620043 logG= -0.658910 Density= 3.417312 ETOT(band)= -1.565163 trlgG= -2.231771 logG= -0.658910 TDE= -4.398436 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038885 tlogG= -0.622038 logG= -0.660923 Density= 3.417374 ETOT(band)= -1.566466 trlgG= -2.235638 logG= -0.660923 TDE= -4.400342 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039068 tlogG= -0.617104 logG= -0.656172 Density= 3.418622 ETOT(band)= -1.561622 trlgG= -2.226781 logG= -0.656172 TDE= -4.397268 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038772 tlogG= -0.620668 logG= -0.659440 Density= 3.416917 ETOT(band)= -1.566113 trlgG= -2.232432 logG= -0.659440 TDE= -4.398241 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038977 tlogG= -0.620249 logG= -0.659225 Density= 3.418424 ETOT(band)= -1.564379 trlgG= -2.230326 logG= -0.659225 TDE= -4.397596 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Sum of eigenvalues= -1021.66653406747 eV TrLogG= -1457.89903959774 eV Ratio to renormalize= 0.999663292968 rho-rho_expected= 0.055238552524 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 7) Finished k-point number 8 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 25) Finished k-point number 26 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 34) Finished k-point number 35 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 19) Finished k-point number 20 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 2) Finished k-point number 3 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 26) Finished k-point number 27 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800798781439074 0.802737430770079 0.802638861363618 0.800370058632469 0.803269972496200 0.802598691970221 0.801093128485831 0.802601122685954 0.802741942007580 0.801004270201572 0.802803445722101 0.802643656319289 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038931 tlogG= -0.626443 logG= -0.665374 Density= 3.416858 ETOT(band)= -1.570168 trlgG= -2.245342 logG= -0.665374 TDE= -4.405168 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.039040 tlogG= -0.619842 logG= -0.658882 Density= 3.418265 ETOT(band)= -1.564220 trlgG= -2.230813 logG= -0.658882 TDE= -4.398295 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038906 tlogG= -0.623058 logG= -0.661964 Density= 3.417232 ETOT(band)= -1.567519 trlgG= -2.237435 logG= -0.661964 TDE= -4.400981 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038855 tlogG= -0.623499 logG= -0.662354 Density= 3.417199 ETOT(band)= -1.567972 trlgG= -2.237385 logG= -0.662354 TDE= -4.400513 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038838 tlogG= -0.625599 logG= -0.664437 Density= 3.417020 ETOT(band)= -1.569662 trlgG= -2.241080 logG= -0.664437 TDE= -4.401977 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039021 tlogG= -0.620219 logG= -0.659240 Density= 3.418396 ETOT(band)= -1.564504 trlgG= -2.230697 logG= -0.659240 TDE= -4.397928 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038944 tlogG= -0.618164 logG= -0.657108 Density= 3.417965 ETOT(band)= -1.563349 trlgG= -2.227580 logG= -0.657108 TDE= -4.396588 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039199 tlogG= -0.615670 logG= -0.654869 Density= 3.418962 ETOT(band)= -1.560302 trlgG= -2.225172 logG= -0.654869 TDE= -4.397243 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038899 tlogG= -0.620427 logG= -0.659326 Density= 3.417584 ETOT(band)= -1.565370 trlgG= -2.231677 logG= -0.659326 TDE= -4.398151 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038743 tlogG= -0.627594 logG= -0.666337 Density= 3.416297 ETOT(band)= -1.571688 trlgG= -2.245276 logG= -0.666337 TDE= -4.403675 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039218 tlogG= -0.613560 logG= -0.652777 Density= 3.419305 ETOT(band)= -1.558463 trlgG= -2.221663 logG= -0.652777 TDE= -4.396109 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038835 tlogG= -0.627037 logG= -0.665872 Density= 3.416559 ETOT(band)= -1.570961 trlgG= -2.245704 logG= -0.665872 TDE= -4.404784 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038993 tlogG= -0.622631 logG= -0.661625 Density= 3.418267 ETOT(band)= -1.566472 trlgG= -2.234720 logG= -0.661625 TDE= -4.399461 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038906 tlogG= -0.624783 logG= -0.663689 Density= 3.416818 ETOT(band)= -1.569092 trlgG= -2.242046 logG= -0.663689 TDE= -4.403524 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038890 tlogG= -0.620397 logG= -0.659287 Density= 3.417077 ETOT(band)= -1.565787 trlgG= -2.232287 logG= -0.659287 TDE= -4.398381 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039080 tlogG= -0.616699 logG= -0.655780 Density= 3.418708 ETOT(band)= -1.561502 trlgG= -2.225358 logG= -0.655780 TDE= -4.396308 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038889 tlogG= -0.622280 logG= -0.661169 Density= 3.416903 ETOT(band)= -1.567282 trlgG= -2.236701 logG= -0.661169 TDE= -4.400769 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039137 tlogG= -0.616187 logG= -0.655324 Density= 3.418819 ETOT(band)= -1.560914 trlgG= -2.225482 logG= -0.655324 TDE= -4.396979 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039291 tlogG= -0.613401 logG= -0.652692 Density= 3.419863 ETOT(band)= -1.557841 trlgG= -2.221088 logG= -0.652692 TDE= -4.396080 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039151 tlogG= -0.617089 logG= -0.656241 Density= 3.418916 ETOT(band)= -1.561432 trlgG= -2.226683 logG= -0.656241 TDE= -4.397345 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039047 tlogG= -0.617377 logG= -0.656424 Density= 3.417989 ETOT(band)= -1.562579 trlgG= -2.227669 logG= -0.656424 TDE= -4.397380 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039149 tlogG= -0.617462 logG= -0.656611 Density= 3.419134 ETOT(band)= -1.561668 trlgG= -2.226588 logG= -0.656611 TDE= -4.397059 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039222 tlogG= -0.613987 logG= -0.653209 Density= 3.419653 ETOT(band)= -1.558580 trlgG= -2.220832 logG= -0.653209 TDE= -4.395135 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038969 tlogG= -0.622023 logG= -0.660992 Density= 3.417674 ETOT(band)= -1.566272 trlgG= -2.235532 logG= -0.660992 TDE= -4.400415 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039061 tlogG= -0.620234 logG= -0.659295 Density= 3.418729 ETOT(band)= -1.564181 trlgG= -2.230214 logG= -0.659295 TDE= -4.397666 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039120 tlogG= -0.620431 logG= -0.659552 Density= 3.419316 ETOT(band)= -1.563989 trlgG= -2.229897 logG= -0.659552 TDE= -4.397578 logGD-logG0= -0.039285 tlogG= -0.611156 logG= -0.650441 Density= 3.419978 ETOT(band)= -1.556026 trlgG= -2.216651 logG= -0.650441 TDE= -4.393990 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039010 tlogG= -0.620027 logG= -0.659037 Density= 3.418194 ETOT(band)= -1.564331 trlgG= -2.230520 logG= -0.659037 TDE= -4.397788 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038885 tlogG= -0.625153 logG= -0.664038 Density= 3.417060 ETOT(band)= -1.569200 trlgG= -2.241631 logG= -0.664038 TDE= -4.402960 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039057 tlogG= -0.619425 logG= -0.658483 Density= 3.418166 ETOT(band)= -1.563872 trlgG= -2.230604 logG= -0.658483 TDE= -4.398403 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038979 tlogG= -0.622349 logG= -0.661328 Density= 3.417951 ETOT(band)= -1.566408 trlgG= -2.235222 logG= -0.661328 TDE= -4.399998 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038952 tlogG= -0.620028 logG= -0.658979 Density= 3.417613 ETOT(band)= -1.564969 trlgG= -2.231662 logG= -0.658979 TDE= -4.398507 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038938 tlogG= -0.624680 logG= -0.663618 Density= 3.417129 ETOT(band)= -1.568685 trlgG= -2.241584 logG= -0.663618 TDE= -4.403390 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039363 tlogG= -0.612799 logG= -0.652162 Density= 3.420095 ETOT(band)= -1.557069 trlgG= -2.220648 logG= -0.652162 TDE= -4.396363 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.039131 tlogG= -0.614147 logG= -0.653278 Density= 3.419016 ETOT(band)= -1.559247 trlgG= -2.221470 logG= -0.653278 TDE= -4.395175 logGD-logG0= -0.038832 tlogG= -0.620898 logG= -0.659729 Density= 3.417375 ETOT(band)= -1.566029 trlgG= -2.232492 logG= -0.659729 TDE= -4.398390 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038997 tlogG= -0.617785 logG= -0.656782 Density= 3.417975 ETOT(band)= -1.562980 trlgG= -2.227782 logG= -0.656782 TDE= -4.397124 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038857 tlogG= -0.620653 logG= -0.659510 Density= 3.417221 ETOT(band)= -1.565917 trlgG= -2.232322 logG= -0.659510 TDE= -4.398311 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038958 tlogG= -0.622601 logG= -0.661559 Density= 3.417308 ETOT(band)= -1.567022 trlgG= -2.237347 logG= -0.661559 TDE= -4.401359 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038828 tlogG= -0.625284 logG= -0.664111 Density= 3.416635 ETOT(band)= -1.569705 trlgG= -2.242203 logG= -0.664111 TDE= -4.403107 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039406 tlogG= -0.610438 logG= -0.649844 Density= 3.420500 ETOT(band)= -1.554947 trlgG= -2.216650 logG= -0.649844 TDE= -4.395017 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039004 tlogG= -0.619586 logG= -0.658591 Density= 3.417656 ETOT(band)= -1.564510 trlgG= -2.231265 logG= -0.658591 TDE= -4.398534 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038834 tlogG= -0.622650 logG= -0.661484 Density= 3.416895 ETOT(band)= -1.567633 trlgG= -2.236606 logG= -0.661484 TDE= -4.400353 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039152 tlogG= -0.617817 logG= -0.656969 Density= 3.419375 ETOT(band)= -1.561867 trlgG= -2.226160 logG= -0.656969 TDE= -4.396473 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039306 tlogG= -0.612943 logG= -0.652249 Density= 3.419593 ETOT(band)= -1.557647 trlgG= -2.221145 logG= -0.652249 TDE= -4.396358 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038751 tlogG= -0.625746 logG= -0.664497 Density= 3.416470 ETOT(band)= -1.570260 trlgG= -2.241775 logG= -0.664497 TDE= -4.402157 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039526 tlogG= -0.609645 logG= -0.649171 Density= 3.421045 ETOT(band)= -1.553767 trlgG= -2.215727 logG= -0.649171 TDE= -4.395218 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038786 tlogG= -0.622973 logG= -0.661758 Density= 3.416900 ETOT(band)= -1.567925 trlgG= -2.236496 logG= -0.661758 TDE= -4.399973 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 Sum of eigenvalues= -1021.53967274840 eV TrLogG= -1457.99243347881 eV Ratio to renormalize= 0.999575430510 rho-rho_expected= 0.069658971493 nargs= 1 argi=dmft2.def 10) Finished k-point number 11 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 1) Finished k-point number 2 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 0) Finished k-point number 1 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 12) Finished k-point number 13 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 3) Finished k-point number 4 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800748657306780 0.802691196231858 0.802590880109849 0.800319748127263 0.803223929021146 0.802550996321929 0.801043193212264 0.802554774868437 0.802694084588208 0.800954456297620 0.802756813997159 0.802596002150589 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038920 tlogG= -0.626453 logG= -0.665373 Density= 3.416821 ETOT(band)= -1.570110 trlgG= -2.245281 logG= -0.665373 TDE= -4.405078 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=119 logGD-logG0= -0.038816 tlogG= -0.625293 logG= -0.664110 Density= 3.416599 ETOT(band)= -1.569646 trlgG= -2.242141 logG= -0.664110 TDE= -4.403017 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039029 tlogG= -0.619851 logG= -0.658880 Density= 3.418229 ETOT(band)= -1.564160 trlgG= -2.230751 logG= -0.658880 TDE= -4.398204 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038878 tlogG= -0.622290 logG= -0.661168 Density= 3.416867 ETOT(band)= -1.567222 trlgG= -2.236638 logG= -0.661168 TDE= -4.400678 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038820 tlogG= -0.620907 logG= -0.659727 Density= 3.417339 ETOT(band)= -1.565968 trlgG= -2.232436 logG= -0.659727 TDE= -4.398307 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038895 tlogG= -0.624793 logG= -0.663688 Density= 3.416782 ETOT(band)= -1.569033 trlgG= -2.241984 logG= -0.663688 TDE= -4.403434 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038888 tlogG= -0.620436 logG= -0.659324 Density= 3.417548 ETOT(band)= -1.565310 trlgG= -2.231617 logG= -0.659324 TDE= -4.398064 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039120 tlogG= -0.614157 logG= -0.653276 Density= 3.418979 ETOT(band)= -1.559188 trlgG= -2.221402 logG= -0.653276 TDE= -4.395079 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038844 tlogG= -0.623508 logG= -0.662352 Density= 3.417163 ETOT(band)= -1.567912 trlgG= -2.237326 logG= -0.662352 TDE= -4.400426 logGD-logG0= -0.038982 tlogG= -0.622640 logG= -0.661622 Density= 3.418232 ETOT(band)= -1.566411 trlgG= -2.234661 logG= -0.661622 TDE= -4.399375 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038947 tlogG= -0.622611 logG= -0.661558 Density= 3.417271 ETOT(band)= -1.566963 trlgG= -2.237285 logG= -0.661558 TDE= -4.401269 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038732 tlogG= -0.627604 logG= -0.666336 Density= 3.416261 ETOT(band)= -1.571629 trlgG= -2.245215 logG= -0.666336 TDE= -4.403586 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.039273 tlogG= -0.611166 logG= -0.650439 Density= 3.419940 ETOT(band)= -1.555967 trlgG= -2.216581 logG= -0.650439 TDE= -4.393891 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038878 tlogG= -0.620407 logG= -0.659285 Density= 3.417041 ETOT(band)= -1.565727 trlgG= -2.232228 logG= -0.659285 TDE= -4.398294 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039126 tlogG= -0.616197 logG= -0.655323 Density= 3.418782 ETOT(band)= -1.560855 trlgG= -2.225411 logG= -0.655323 TDE= -4.396880 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038824 tlogG= -0.627047 logG= -0.665871 Density= 3.416523 ETOT(band)= -1.570902 trlgG= -2.245642 logG= -0.665871 TDE= -4.404694 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039280 tlogG= -0.613410 logG= -0.652690 Density= 3.419826 ETOT(band)= -1.557781 trlgG= -2.221017 logG= -0.652690 TDE= -4.395981 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038874 tlogG= -0.625163 logG= -0.664037 Density= 3.417024 ETOT(band)= -1.569140 trlgG= -2.241569 logG= -0.664037 TDE= -4.402869 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038998 tlogG= -0.620036 logG= -0.659035 Density= 3.418158 ETOT(band)= -1.564271 trlgG= -2.230459 logG= -0.659035 TDE= -4.397699 logGD-logG0= -0.038968 tlogG= -0.622358 logG= -0.661326 Density= 3.417916 ETOT(band)= -1.566348 trlgG= -2.235159 logG= -0.661326 TDE= -4.399908 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038740 tlogG= -0.625756 logG= -0.664495 Density= 3.416434 ETOT(band)= -1.570200 trlgG= -2.241716 logG= -0.664495 TDE= -4.402070 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039069 tlogG= -0.616709 logG= -0.655778 Density= 3.418672 ETOT(band)= -1.561443 trlgG= -2.225291 logG= -0.655778 TDE= -4.396213 logGD-logG0= -0.039010 tlogG= -0.620228 logG= -0.659238 Density= 3.418360 ETOT(band)= -1.564444 trlgG= -2.230635 logG= -0.659238 TDE= -4.397839 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039046 tlogG= -0.619435 logG= -0.658481 Density= 3.418129 ETOT(band)= -1.563812 trlgG= -2.230540 logG= -0.658481 TDE= -4.398310 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038940 tlogG= -0.620037 logG= -0.658977 Density= 3.417576 ETOT(band)= -1.564909 trlgG= -2.231602 logG= -0.658977 TDE= -4.398419 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038986 tlogG= -0.617794 logG= -0.656779 Density= 3.417939 ETOT(band)= -1.562920 trlgG= -2.227714 logG= -0.656779 TDE= -4.397028 logGD-logG0= -0.038958 tlogG= -0.622032 logG= -0.660990 Density= 3.417638 ETOT(band)= -1.566212 trlgG= -2.235470 logG= -0.660990 TDE= -4.400324 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039206 tlogG= -0.613569 logG= -0.652776 Density= 3.419268 ETOT(band)= -1.558404 trlgG= -2.221593 logG= -0.652776 TDE= -4.396010 logGD-logG0= -0.039394 tlogG= -0.610448 logG= -0.649842 Density= 3.420461 ETOT(band)= -1.554889 trlgG= -2.216580 logG= -0.649842 TDE= -4.394918 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039138 tlogG= -0.617471 logG= -0.656609 Density= 3.419098 ETOT(band)= -1.561608 trlgG= -2.226520 logG= -0.656609 TDE= -4.396963 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039188 tlogG= -0.615680 logG= -0.654867 Density= 3.418925 ETOT(band)= -1.560244 trlgG= -2.225102 logG= -0.654867 TDE= -4.397144 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039210 tlogG= -0.613996 logG= -0.653207 Density= 3.419616 ETOT(band)= -1.558520 trlgG= -2.220764 logG= -0.653207 TDE= -4.395038 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039294 tlogG= -0.612953 logG= -0.652247 Density= 3.419555 ETOT(band)= -1.557589 trlgG= -2.221076 logG= -0.652247 TDE= -4.396259 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039109 tlogG= -0.620440 logG= -0.659549 Density= 3.419282 ETOT(band)= -1.563927 trlgG= -2.229840 logG= -0.659549 TDE= -4.397495 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039141 tlogG= -0.617826 logG= -0.656967 Density= 3.419340 ETOT(band)= -1.561806 trlgG= -2.226095 logG= -0.656967 TDE= -4.396381 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039352 tlogG= -0.612809 logG= -0.652160 Density= 3.420057 ETOT(band)= -1.557010 trlgG= -2.220578 logG= -0.652160 TDE= -4.396263 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038826 tlogG= -0.625609 logG= -0.664435 Density= 3.416984 ETOT(band)= -1.569602 trlgG= -2.241021 logG= -0.664435 TDE= -4.401890 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038846 tlogG= -0.620662 logG= -0.659508 Density= 3.417185 ETOT(band)= -1.565857 trlgG= -2.232262 logG= -0.659508 TDE= -4.398225 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038894 tlogG= -0.623068 logG= -0.661962 Density= 3.417196 ETOT(band)= -1.567460 trlgG= -2.237373 logG= -0.661962 TDE= -4.400891 logGD-logG0= -0.038933 tlogG= -0.618173 logG= -0.657105 Density= 3.417929 ETOT(band)= -1.563289 trlgG= -2.227515 logG= -0.657105 TDE= -4.396496 logGD-logG0= -0.039515 tlogG= -0.609655 logG= -0.649170 Density= 3.421007 ETOT(band)= -1.553710 trlgG= -2.215658 logG= -0.649170 TDE= -4.395119 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038823 tlogG= -0.622659 logG= -0.661482 Density= 3.416859 ETOT(band)= -1.567573 trlgG= -2.236544 logG= -0.661482 TDE= -4.400263 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038927 tlogG= -0.624690 logG= -0.663616 Density= 3.417093 ETOT(band)= -1.568626 trlgG= -2.241522 logG= -0.663616 TDE= -4.403300 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038993 tlogG= -0.619596 logG= -0.658589 Density= 3.417619 ETOT(band)= -1.564450 trlgG= -2.231204 logG= -0.658589 TDE= -4.398445 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.039140 tlogG= -0.617099 logG= -0.656239 Density= 3.418880 ETOT(band)= -1.561372 trlgG= -2.226615 logG= -0.656239 TDE= -4.397249 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038774 tlogG= -0.622982 logG= -0.661756 Density= 3.416864 ETOT(band)= -1.567865 trlgG= -2.236440 logG= -0.661756 TDE= -4.399889 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039036 tlogG= -0.617387 logG= -0.656423 Density= 3.417952 ETOT(band)= -1.562520 trlgG= -2.227601 logG= -0.656423 TDE= -4.397283 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039050 tlogG= -0.620243 logG= -0.659293 Density= 3.418694 ETOT(band)= -1.564120 trlgG= -2.230153 logG= -0.659293 TDE= -4.397579 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1021.50073027391 eV TrLogG= -1457.93123224918 eV Ratio to renormalize= 0.999586082628 rho-rho_expected= 0.067910558297 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 20) Finished k-point number 21 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 107 43) Finished k-point number 44 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 0) Finished k-point number 1 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800745930375944 0.802690275263582 0.802588919183589 0.800317000372016 0.803223007736693 0.802549053605987 0.801040470838905 0.802553843772235 0.802692131869859 0.800951725709004 0.802755874398094 0.802594061236349 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038877 tlogG= -0.622290 logG= -0.661167 Density= 3.416865 ETOT(band)= -1.567220 trlgG= -2.236635 logG= -0.661167 TDE= -4.400674 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038739 tlogG= -0.625755 logG= -0.664494 Density= 3.416432 ETOT(band)= -1.570198 trlgG= -2.241713 logG= -0.664494 TDE= -4.402067 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038887 tlogG= -0.620436 logG= -0.659323 Density= 3.417546 ETOT(band)= -1.565308 trlgG= -2.231614 logG= -0.659323 TDE= -4.398060 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038820 tlogG= -0.620906 logG= -0.659726 Density= 3.417337 ETOT(band)= -1.565966 trlgG= -2.232433 logG= -0.659726 TDE= -4.398303 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038919 tlogG= -0.626453 logG= -0.665372 Density= 3.416819 ETOT(band)= -1.570107 trlgG= -2.245278 logG= -0.665372 TDE= -4.405074 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038878 tlogG= -0.620406 logG= -0.659284 Density= 3.417039 ETOT(band)= -1.565725 trlgG= -2.232225 logG= -0.659284 TDE= -4.398290 logGD-logG0= -0.039125 tlogG= -0.616196 logG= -0.655322 Density= 3.418781 ETOT(band)= -1.560852 trlgG= -2.225408 logG= -0.655322 TDE= -4.396876 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039009 tlogG= -0.620228 logG= -0.659237 Density= 3.418358 ETOT(band)= -1.564441 trlgG= -2.230632 logG= -0.659237 TDE= -4.397835 logGD-logG0= -0.038731 tlogG= -0.627604 logG= -0.666335 Density= 3.416259 ETOT(band)= -1.571627 trlgG= -2.245212 logG= -0.666335 TDE= -4.403582 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.038932 tlogG= -0.618172 logG= -0.657104 Density= 3.417927 ETOT(band)= -1.563287 trlgG= -2.227512 logG= -0.657104 TDE= -4.396492 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038957 tlogG= -0.622032 logG= -0.660989 Density= 3.417636 ETOT(band)= -1.566209 trlgG= -2.235466 logG= -0.660989 TDE= -4.400321 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038873 tlogG= -0.625163 logG= -0.664036 Density= 3.417022 ETOT(band)= -1.569138 trlgG= -2.241565 logG= -0.664036 TDE= -4.402866 logGD-logG0= -0.038826 tlogG= -0.625609 logG= -0.664434 Density= 3.416982 ETOT(band)= -1.569600 trlgG= -2.241017 logG= -0.664434 TDE= -4.401886 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039139 tlogG= -0.617098 logG= -0.656238 Density= 3.418878 ETOT(band)= -1.561370 trlgG= -2.226612 logG= -0.656238 TDE= -4.397245 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038967 tlogG= -0.622358 logG= -0.661325 Density= 3.417914 ETOT(band)= -1.566345 trlgG= -2.235155 logG= -0.661325 TDE= -4.399904 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038998 tlogG= -0.620036 logG= -0.659034 Density= 3.418156 ETOT(band)= -1.564269 trlgG= -2.230456 logG= -0.659034 TDE= -4.397695 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039273 tlogG= -0.611166 logG= -0.650438 Density= 3.419938 ETOT(band)= -1.555965 trlgG= -2.216578 logG= -0.650438 TDE= -4.393886 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039068 tlogG= -0.616708 logG= -0.655777 Density= 3.418670 ETOT(band)= -1.561440 trlgG= -2.225287 logG= -0.655777 TDE= -4.396209 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038926 tlogG= -0.624689 logG= -0.663615 Density= 3.417091 ETOT(band)= -1.568623 trlgG= -2.241518 logG= -0.663615 TDE= -4.403296 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039279 tlogG= -0.613410 logG= -0.652689 Density= 3.419824 ETOT(band)= -1.557779 trlgG= -2.221014 logG= -0.652689 TDE= -4.395977 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038843 tlogG= -0.623508 logG= -0.662351 Density= 3.417161 ETOT(band)= -1.567910 trlgG= -2.237323 logG= -0.662351 TDE= -4.400423 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039119 tlogG= -0.614156 logG= -0.653275 Density= 3.418977 ETOT(band)= -1.559185 trlgG= -2.221398 logG= -0.653275 TDE= -4.395075 logGD-logG0= -0.038823 tlogG= -0.627047 logG= -0.665870 Density= 3.416521 ETOT(band)= -1.570900 trlgG= -2.245639 logG= -0.665870 TDE= -4.404690 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039210 tlogG= -0.613996 logG= -0.653206 Density= 3.419614 ETOT(band)= -1.558518 trlgG= -2.220760 logG= -0.653206 TDE= -4.395034 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038982 tlogG= -0.622640 logG= -0.661621 Density= 3.418230 ETOT(band)= -1.566408 trlgG= -2.234658 logG= -0.661621 TDE= -4.399371 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038894 tlogG= -0.624792 logG= -0.663687 Density= 3.416780 ETOT(band)= -1.569030 trlgG= -2.241981 logG= -0.663687 TDE= -4.403430 logGD-logG0= -0.039049 tlogG= -0.620243 logG= -0.659292 Density= 3.418692 ETOT(band)= -1.564118 trlgG= -2.230150 logG= -0.659292 TDE= -4.397575 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039206 tlogG= -0.613569 logG= -0.652775 Density= 3.419266 ETOT(band)= -1.558402 trlgG= -2.221589 logG= -0.652775 TDE= -4.396006 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039045 tlogG= -0.619435 logG= -0.658480 Density= 3.418127 ETOT(band)= -1.563810 trlgG= -2.230537 logG= -0.658480 TDE= -4.398306 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.039294 tlogG= -0.612952 logG= -0.652246 Density= 3.419553 ETOT(band)= -1.557586 trlgG= -2.221072 logG= -0.652246 TDE= -4.396255 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039028 tlogG= -0.619851 logG= -0.658879 Density= 3.418227 ETOT(band)= -1.564158 trlgG= -2.230747 logG= -0.658879 TDE= -4.398200 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038940 tlogG= -0.620037 logG= -0.658976 Density= 3.417574 ETOT(band)= -1.564907 trlgG= -2.231599 logG= -0.658976 TDE= -4.398415 logGD-logG0= -0.039351 tlogG= -0.612808 logG= -0.652159 Density= 3.420055 ETOT(band)= -1.557008 trlgG= -2.220575 logG= -0.652159 TDE= -4.396259 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039140 tlogG= -0.617826 logG= -0.656966 Density= 3.419338 ETOT(band)= -1.561804 trlgG= -2.226092 logG= -0.656966 TDE= -4.396377 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039137 tlogG= -0.617471 logG= -0.656608 Density= 3.419096 ETOT(band)= -1.561606 trlgG= -2.226516 logG= -0.656608 TDE= -4.396959 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038992 tlogG= -0.619596 logG= -0.658588 Density= 3.417617 ETOT(band)= -1.564448 trlgG= -2.231201 logG= -0.658588 TDE= -4.398441 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038774 tlogG= -0.622981 logG= -0.661755 Density= 3.416862 ETOT(band)= -1.567862 trlgG= -2.236437 logG= -0.661755 TDE= -4.399885 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038822 tlogG= -0.622659 logG= -0.661481 Density= 3.416857 ETOT(band)= -1.567571 trlgG= -2.236541 logG= -0.661481 TDE= -4.400259 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038946 tlogG= -0.622611 logG= -0.661557 Density= 3.417269 ETOT(band)= -1.566961 trlgG= -2.237282 logG= -0.661557 TDE= -4.401265 logGD-logG0= -0.039394 tlogG= -0.610447 logG= -0.649841 Density= 3.420459 ETOT(band)= -1.554887 trlgG= -2.216576 logG= -0.649841 TDE= -4.394913 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039187 tlogG= -0.615679 logG= -0.654866 Density= 3.418923 ETOT(band)= -1.560241 trlgG= -2.225099 logG= -0.654866 TDE= -4.397140 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039035 tlogG= -0.617386 logG= -0.656422 Density= 3.417951 ETOT(band)= -1.562517 trlgG= -2.227597 logG= -0.656422 TDE= -4.397279 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038845 tlogG= -0.620662 logG= -0.659507 Density= 3.417183 ETOT(band)= -1.565855 trlgG= -2.232259 logG= -0.659507 TDE= -4.398221 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038985 tlogG= -0.617794 logG= -0.656778 Density= 3.417937 ETOT(band)= -1.562918 trlgG= -2.227710 logG= -0.656778 TDE= -4.397024 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039514 tlogG= -0.609655 logG= -0.649169 Density= 3.421005 ETOT(band)= -1.553707 trlgG= -2.215655 logG= -0.649169 TDE= -4.395115 logGD-logG0= -0.038894 tlogG= -0.623068 logG= -0.661961 Density= 3.417194 ETOT(band)= -1.567457 trlgG= -2.237370 logG= -0.661961 TDE= -4.400887 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038816 tlogG= -0.625293 logG= -0.664109 Density= 3.416597 ETOT(band)= -1.569643 trlgG= -2.242137 logG= -0.664109 TDE= -4.403013 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039108 tlogG= -0.620440 logG= -0.659548 Density= 3.419280 ETOT(band)= -1.563925 trlgG= -2.229836 logG= -0.659548 TDE= -4.397491 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 Sum of eigenvalues= -1021.49917744336 eV TrLogG= -1457.92802950419 eV Ratio to renormalize= 0.999586631846 rho-rho_expected= 0.067820412097 nargs= 1 argi=dmft2.def 27) Finished k-point number 28 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 15) Finished k-point number 16 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 5) Finished k-point number 6 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 34) Finished k-point number 35 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 0) Finished k-point number 1 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800747822971011 0.802690534373125 0.802590085034330 0.800318910131737 0.803223264885376 0.802550206188216 0.801042358270787 0.802554104824798 0.802693290560456 0.800953619916201 0.802756145363394 0.802595210163675 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038732 tlogG= -0.627604 logG= -0.666336 Density= 3.416260 ETOT(band)= -1.571628 trlgG= -2.245213 logG= -0.666336 TDE= -4.403584 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.038895 tlogG= -0.624793 logG= -0.663688 Density= 3.416781 ETOT(band)= -1.569031 trlgG= -2.241983 logG= -0.663688 TDE= -4.403431 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038982 tlogG= -0.622641 logG= -0.661623 Density= 3.418231 ETOT(band)= -1.566409 trlgG= -2.234660 logG= -0.661623 TDE= -4.399373 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038844 tlogG= -0.623508 logG= -0.662352 Density= 3.417162 ETOT(band)= -1.567910 trlgG= -2.237325 logG= -0.662352 TDE= -4.400424 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038826 tlogG= -0.625609 logG= -0.664435 Density= 3.416984 ETOT(band)= -1.569601 trlgG= -2.241019 logG= -0.664435 TDE= -4.401887 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038894 tlogG= -0.623068 logG= -0.661962 Density= 3.417196 ETOT(band)= -1.567458 trlgG= -2.237372 logG= -0.661962 TDE= -4.400889 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038816 tlogG= -0.625294 logG= -0.664110 Density= 3.416598 ETOT(band)= -1.569644 trlgG= -2.242139 logG= -0.664110 TDE= -4.403014 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038877 tlogG= -0.622290 logG= -0.661168 Density= 3.416866 ETOT(band)= -1.567220 trlgG= -2.236637 logG= -0.661168 TDE= -4.400676 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038932 tlogG= -0.618173 logG= -0.657105 Density= 3.417928 ETOT(band)= -1.563288 trlgG= -2.227514 logG= -0.657105 TDE= -4.396493 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039069 tlogG= -0.616709 logG= -0.655778 Density= 3.418671 ETOT(band)= -1.561441 trlgG= -2.225289 logG= -0.655778 TDE= -4.396210 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039109 tlogG= -0.620440 logG= -0.659549 Density= 3.419281 ETOT(band)= -1.563926 trlgG= -2.229838 logG= -0.659549 TDE= -4.397492 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039514 tlogG= -0.609656 logG= -0.649170 Density= 3.421006 ETOT(band)= -1.553708 trlgG= -2.215657 logG= -0.649170 TDE= -4.395116 logGD-logG0= -0.038920 tlogG= -0.626453 logG= -0.665373 Density= 3.416820 ETOT(band)= -1.570108 trlgG= -2.245280 logG= -0.665373 TDE= -4.405075 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=119 logGD-logG0= -0.039187 tlogG= -0.615680 logG= -0.654867 Density= 3.418924 ETOT(band)= -1.560242 trlgG= -2.225101 logG= -0.654867 TDE= -4.397141 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039028 tlogG= -0.619852 logG= -0.658880 Density= 3.418228 ETOT(band)= -1.564159 trlgG= -2.230749 logG= -0.658880 TDE= -4.398202 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039120 tlogG= -0.614157 logG= -0.653277 Density= 3.418978 ETOT(band)= -1.559186 trlgG= -2.221400 logG= -0.653277 TDE= -4.395076 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039280 tlogG= -0.613411 logG= -0.652691 Density= 3.419825 ETOT(band)= -1.557780 trlgG= -2.221016 logG= -0.652691 TDE= -4.395979 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038947 tlogG= -0.622611 logG= -0.661558 Density= 3.417270 ETOT(band)= -1.566961 trlgG= -2.237283 logG= -0.661558 TDE= -4.401266 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038958 tlogG= -0.622033 logG= -0.660991 Density= 3.417638 ETOT(band)= -1.566210 trlgG= -2.235468 logG= -0.660991 TDE= -4.400322 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038968 tlogG= -0.622358 logG= -0.661326 Density= 3.417915 ETOT(band)= -1.566346 trlgG= -2.235157 logG= -0.661326 TDE= -4.399905 logGD-logG0= -0.038927 tlogG= -0.624690 logG= -0.663617 Density= 3.417092 ETOT(band)= -1.568624 trlgG= -2.241520 logG= -0.663617 TDE= -4.403297 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039036 tlogG= -0.617387 logG= -0.656423 Density= 3.417952 ETOT(band)= -1.562518 trlgG= -2.227599 logG= -0.656423 TDE= -4.397281 logGD-logG0= -0.038823 tlogG= -0.627048 logG= -0.665871 Density= 3.416522 ETOT(band)= -1.570901 trlgG= -2.245640 logG= -0.665871 TDE= -4.404692 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039050 tlogG= -0.620243 logG= -0.659293 Density= 3.418693 ETOT(band)= -1.564118 trlgG= -2.230152 logG= -0.659293 TDE= -4.397577 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039126 tlogG= -0.616197 logG= -0.655323 Density= 3.418782 ETOT(band)= -1.560853 trlgG= -2.225409 logG= -0.655323 TDE= -4.396878 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039046 tlogG= -0.619435 logG= -0.658481 Density= 3.418128 ETOT(band)= -1.563811 trlgG= -2.230539 logG= -0.658481 TDE= -4.398308 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038820 tlogG= -0.620907 logG= -0.659727 Density= 3.417338 ETOT(band)= -1.565967 trlgG= -2.232435 logG= -0.659727 TDE= -4.398305 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039009 tlogG= -0.620228 logG= -0.659238 Density= 3.418359 ETOT(band)= -1.564442 trlgG= -2.230633 logG= -0.659238 TDE= -4.397837 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038739 tlogG= -0.625756 logG= -0.664495 Density= 3.416433 ETOT(band)= -1.570199 trlgG= -2.241715 logG= -0.664495 TDE= -4.402068 logGD-logG0= -0.038873 tlogG= -0.625163 logG= -0.664037 Density= 3.417023 ETOT(band)= -1.569139 trlgG= -2.241567 logG= -0.664037 TDE= -4.402867 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038878 tlogG= -0.620407 logG= -0.659285 Density= 3.417040 ETOT(band)= -1.565726 trlgG= -2.232226 logG= -0.659285 TDE= -4.398292 logGD-logG0= -0.039273 tlogG= -0.611166 logG= -0.650439 Density= 3.419939 ETOT(band)= -1.555966 trlgG= -2.216580 logG= -0.650439 TDE= -4.393888 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038887 tlogG= -0.620437 logG= -0.659324 Density= 3.417547 ETOT(band)= -1.565308 trlgG= -2.231615 logG= -0.659324 TDE= -4.398061 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039140 tlogG= -0.617099 logG= -0.656239 Density= 3.418879 ETOT(band)= -1.561371 trlgG= -2.226614 logG= -0.656239 TDE= -4.397246 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039206 tlogG= -0.613570 logG= -0.652776 Density= 3.419267 ETOT(band)= -1.558403 trlgG= -2.221591 logG= -0.652776 TDE= -4.396008 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038845 tlogG= -0.620663 logG= -0.659508 Density= 3.417184 ETOT(band)= -1.565855 trlgG= -2.232261 logG= -0.659508 TDE= -4.398222 logGD-logG0= -0.039294 tlogG= -0.612953 logG= -0.652247 Density= 3.419554 ETOT(band)= -1.557587 trlgG= -2.221074 logG= -0.652247 TDE= -4.396256 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038823 tlogG= -0.622659 logG= -0.661482 Density= 3.416858 ETOT(band)= -1.567572 trlgG= -2.236542 logG= -0.661482 TDE= -4.400261 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039352 tlogG= -0.612809 logG= -0.652161 Density= 3.420057 ETOT(band)= -1.557008 trlgG= -2.220577 logG= -0.652161 TDE= -4.396261 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039394 tlogG= -0.610448 logG= -0.649842 Density= 3.420461 ETOT(band)= -1.554887 trlgG= -2.216578 logG= -0.649842 TDE= -4.394915 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039210 tlogG= -0.613997 logG= -0.653207 Density= 3.419616 ETOT(band)= -1.558519 trlgG= -2.220762 logG= -0.653207 TDE= -4.395035 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039138 tlogG= -0.617471 logG= -0.656609 Density= 3.419097 ETOT(band)= -1.561606 trlgG= -2.226518 logG= -0.656609 TDE= -4.396961 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038998 tlogG= -0.620037 logG= -0.659035 Density= 3.418158 ETOT(band)= -1.564270 trlgG= -2.230457 logG= -0.659035 TDE= -4.397697 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038774 tlogG= -0.622982 logG= -0.661756 Density= 3.416863 ETOT(band)= -1.567863 trlgG= -2.236438 logG= -0.661756 TDE= -4.399887 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038993 tlogG= -0.619597 logG= -0.658589 Density= 3.417619 ETOT(band)= -1.564449 trlgG= -2.231203 logG= -0.658589 TDE= -4.398443 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038940 tlogG= -0.620037 logG= -0.658978 Density= 3.417576 ETOT(band)= -1.564908 trlgG= -2.231601 logG= -0.658978 TDE= -4.398417 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038985 tlogG= -0.617794 logG= -0.656780 Density= 3.417938 ETOT(band)= -1.562919 trlgG= -2.227712 logG= -0.656780 TDE= -4.397025 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039141 tlogG= -0.617826 logG= -0.656967 Density= 3.419339 ETOT(band)= -1.561804 trlgG= -2.226094 logG= -0.656967 TDE= -4.396379 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1021.49965601200 eV TrLogG= -1457.92983267701 eV Ratio to renormalize= 0.999586281669 rho-rho_expected= 0.067877888566 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 2) Finished k-point number 3 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 10) Finished k-point number 11 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800705019681428 0.802648818929486 0.802545751750696 0.800275949049751 0.803181770623304 0.802506076302859 0.800999764640469 0.802512089021479 0.802649150513198 0.800910982563464 0.802714210117272 0.802551079667706 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038864 tlogG= -0.625182 logG= -0.664046 Density= 3.416992 ETOT(band)= -1.569078 trlgG= -2.241514 logG= -0.664046 TDE= -4.402779 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038910 tlogG= -0.626473 logG= -0.665383 Density= 3.416788 ETOT(band)= -1.570048 trlgG= -2.245228 logG= -0.665383 TDE= -4.404987 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038813 tlogG= -0.622678 logG= -0.661491 Density= 3.416827 ETOT(band)= -1.567510 trlgG= -2.236490 logG= -0.661491 TDE= -4.400173 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039000 tlogG= -0.620247 logG= -0.659247 Density= 3.418328 ETOT(band)= -1.564381 trlgG= -2.230581 logG= -0.659247 TDE= -4.397750 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039116 tlogG= -0.616216 logG= -0.655332 Density= 3.418749 ETOT(band)= -1.560793 trlgG= -2.225350 logG= -0.655332 TDE= -4.396781 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038973 tlogG= -0.622659 logG= -0.661631 Density= 3.418200 ETOT(band)= -1.566347 trlgG= -2.234610 logG= -0.661631 TDE= -4.399289 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038836 tlogG= -0.620681 logG= -0.659517 Density= 3.417152 ETOT(band)= -1.565794 trlgG= -2.232211 logG= -0.659517 TDE= -4.398137 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038958 tlogG= -0.622377 logG= -0.661335 Density= 3.417883 ETOT(band)= -1.566285 trlgG= -2.235104 logG= -0.661335 TDE= -4.399817 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038931 tlogG= -0.620056 logG= -0.658987 Density= 3.417544 ETOT(band)= -1.564847 trlgG= -2.231550 logG= -0.658987 TDE= -4.398331 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039197 tlogG= -0.613589 logG= -0.652785 Density= 3.419234 ETOT(band)= -1.558343 trlgG= -2.221532 logG= -0.652785 TDE= -4.395911 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038868 tlogG= -0.622309 logG= -0.661177 Density= 3.416834 ETOT(band)= -1.567160 trlgG= -2.236584 logG= -0.661177 TDE= -4.400587 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038923 tlogG= -0.618192 logG= -0.657114 Density= 3.417896 ETOT(band)= -1.563227 trlgG= -2.227459 logG= -0.657114 TDE= -4.396403 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039059 tlogG= -0.616728 logG= -0.655787 Density= 3.418639 ETOT(band)= -1.561380 trlgG= -2.225233 logG= -0.655787 TDE= -4.396118 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038989 tlogG= -0.620055 logG= -0.659044 Density= 3.418126 ETOT(band)= -1.564209 trlgG= -2.230406 logG= -0.659044 TDE= -4.397610 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038885 tlogG= -0.624812 logG= -0.663697 Density= 3.416749 ETOT(band)= -1.568971 trlgG= -2.241930 logG= -0.663697 TDE= -4.403343 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038878 tlogG= -0.620455 logG= -0.659333 Density= 3.417516 ETOT(band)= -1.565247 trlgG= -2.231565 logG= -0.659333 TDE= -4.397975 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039019 tlogG= -0.619870 logG= -0.658889 Density= 3.418196 ETOT(band)= -1.564098 trlgG= -2.230696 logG= -0.658889 TDE= -4.398113 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039110 tlogG= -0.614176 logG= -0.653286 Density= 3.418945 ETOT(band)= -1.559126 trlgG= -2.221343 logG= -0.653286 TDE= -4.394983 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038983 tlogG= -0.619616 logG= -0.658599 Density= 3.417586 ETOT(band)= -1.564388 trlgG= -2.231152 logG= -0.658599 TDE= -4.398355 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038817 tlogG= -0.625628 logG= -0.664445 Density= 3.416952 ETOT(band)= -1.569539 trlgG= -2.240968 logG= -0.664445 TDE= -4.401802 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038834 tlogG= -0.623527 logG= -0.662361 Density= 3.417131 ETOT(band)= -1.567849 trlgG= -2.237275 logG= -0.662361 TDE= -4.400339 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039130 tlogG= -0.617118 logG= -0.656248 Density= 3.418846 ETOT(band)= -1.561310 trlgG= -2.226557 logG= -0.656248 TDE= -4.397153 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038917 tlogG= -0.624709 logG= -0.663626 Density= 3.417060 ETOT(band)= -1.568563 trlgG= -2.241468 logG= -0.663626 TDE= -4.403209 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039131 tlogG= -0.617845 logG= -0.656976 Density= 3.419307 ETOT(band)= -1.561743 trlgG= -2.226039 logG= -0.656976 TDE= -4.396289 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038722 tlogG= -0.627623 logG= -0.666345 Density= 3.416229 ETOT(band)= -1.571567 trlgG= -2.245161 logG= -0.666345 TDE= -4.403496 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.039178 tlogG= -0.615699 logG= -0.654877 Density= 3.418891 ETOT(band)= -1.560182 trlgG= -2.225041 logG= -0.654877 TDE= -4.397045 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038814 tlogG= -0.627067 logG= -0.665881 Density= 3.416490 ETOT(band)= -1.570840 trlgG= -2.245588 logG= -0.665881 TDE= -4.404603 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038807 tlogG= -0.625313 logG= -0.664119 Density= 3.416567 ETOT(band)= -1.569583 trlgG= -2.242086 logG= -0.664119 TDE= -4.402926 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038869 tlogG= -0.620426 logG= -0.659295 Density= 3.417008 ETOT(band)= -1.565665 trlgG= -2.232177 logG= -0.659295 TDE= -4.398207 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039284 tlogG= -0.612973 logG= -0.652257 Density= 3.419521 ETOT(band)= -1.557528 trlgG= -2.221015 logG= -0.652257 TDE= -4.396160 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039201 tlogG= -0.614015 logG= -0.653216 Density= 3.419583 ETOT(band)= -1.558458 trlgG= -2.220704 logG= -0.653216 TDE= -4.394941 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038811 tlogG= -0.620925 logG= -0.659736 Density= 3.417307 ETOT(band)= -1.565905 trlgG= -2.232388 logG= -0.659736 TDE= -4.398223 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038976 tlogG= -0.617813 logG= -0.656789 Density= 3.417906 ETOT(band)= -1.562858 trlgG= -2.227654 logG= -0.656789 TDE= -4.396932 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039342 tlogG= -0.612828 logG= -0.652170 Density= 3.420023 ETOT(band)= -1.556949 trlgG= -2.220518 logG= -0.652170 TDE= -4.396165 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038937 tlogG= -0.622631 logG= -0.661568 Density= 3.417238 ETOT(band)= -1.566901 trlgG= -2.237231 logG= -0.661568 TDE= -4.401178 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039263 tlogG= -0.611186 logG= -0.650449 Density= 3.419905 ETOT(band)= -1.555906 trlgG= -2.216522 logG= -0.650449 TDE= -4.393792 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039100 tlogG= -0.620459 logG= -0.659558 Density= 3.419250 ETOT(band)= -1.563863 trlgG= -2.229790 logG= -0.659558 TDE= -4.397410 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038948 tlogG= -0.622052 logG= -0.661000 Density= 3.417605 ETOT(band)= -1.566150 trlgG= -2.235415 logG= -0.661000 TDE= -4.400234 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039505 tlogG= -0.609676 logG= -0.649180 Density= 3.420971 ETOT(band)= -1.553650 trlgG= -2.215599 logG= -0.649180 TDE= -4.395020 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039384 tlogG= -0.610468 logG= -0.649852 Density= 3.420427 ETOT(band)= -1.554829 trlgG= -2.216520 logG= -0.649852 TDE= -4.394819 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039036 tlogG= -0.619454 logG= -0.658491 Density= 3.418096 ETOT(band)= -1.563750 trlgG= -2.230485 logG= -0.658491 TDE= -4.398218 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.039270 tlogG= -0.613430 logG= -0.652700 Density= 3.419792 ETOT(band)= -1.557720 trlgG= -2.220956 logG= -0.652700 TDE= -4.395882 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039040 tlogG= -0.620262 logG= -0.659302 Density= 3.418662 ETOT(band)= -1.564057 trlgG= -2.230102 logG= -0.659302 TDE= -4.397492 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038730 tlogG= -0.625774 logG= -0.664504 Density= 3.416402 ETOT(band)= -1.570137 trlgG= -2.241665 logG= -0.664504 TDE= -4.401983 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038765 tlogG= -0.623000 logG= -0.661765 Density= 3.416832 ETOT(band)= -1.567801 trlgG= -2.236391 logG= -0.661765 TDE= -4.399804 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038885 tlogG= -0.623087 logG= -0.661972 Density= 3.417164 ETOT(band)= -1.567397 trlgG= -2.237320 logG= -0.661972 TDE= -4.400801 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039026 tlogG= -0.617406 logG= -0.656432 Density= 3.417919 ETOT(band)= -1.562458 trlgG= -2.227541 logG= -0.656432 TDE= -4.397187 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039128 tlogG= -0.617490 logG= -0.656618 Density= 3.419065 ETOT(band)= -1.561545 trlgG= -2.226461 logG= -0.656618 TDE= -4.396868 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1021.46006702651 eV TrLogG= -1457.87740802380 eV Ratio to renormalize= 0.999595693119 rho-rho_expected= 0.066333147455 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 17) Finished k-point number 18 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 37) Finished k-point number 38 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 5) Finished k-point number 6 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 107 29) Finished k-point number 30 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800714395788991 0.802657256189526 0.802554732904975 0.800285398976147 0.803190035445392 0.802515082923219 0.801009084477088 0.802520572218293 0.802658085355965 0.800920294689310 0.802722691037359 0.802560009997468 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038925 tlogG= -0.618188 logG= -0.657113 Density= 3.417903 ETOT(band)= -1.563229 trlgG= -2.227461 logG= -0.657113 TDE= -4.396411 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038887 tlogG= -0.624809 logG= -0.663696 Density= 3.416755 ETOT(band)= -1.568973 trlgG= -2.241931 logG= -0.663696 TDE= -4.403350 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038819 tlogG= -0.625624 logG= -0.664443 Density= 3.416958 ETOT(band)= -1.569542 trlgG= -2.240969 logG= -0.664443 TDE= -4.401809 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038815 tlogG= -0.622675 logG= -0.661490 Density= 3.416833 ETOT(band)= -1.567513 trlgG= -2.236491 logG= -0.661490 TDE= -4.400180 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039102 tlogG= -0.620455 logG= -0.659557 Density= 3.419256 ETOT(band)= -1.563866 trlgG= -2.229791 logG= -0.659557 TDE= -4.397417 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038950 tlogG= -0.622048 logG= -0.660998 Density= 3.417612 ETOT(band)= -1.566152 trlgG= -2.235416 logG= -0.660998 TDE= -4.400241 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039199 tlogG= -0.613585 logG= -0.652784 Density= 3.419240 ETOT(band)= -1.558345 trlgG= -2.221534 logG= -0.652784 TDE= -4.395920 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038880 tlogG= -0.620452 logG= -0.659332 Density= 3.417522 ETOT(band)= -1.565250 trlgG= -2.231565 logG= -0.659332 TDE= -4.397982 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039028 tlogG= -0.617403 logG= -0.656431 Density= 3.417926 ETOT(band)= -1.562460 trlgG= -2.227543 logG= -0.656431 TDE= -4.397195 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039112 tlogG= -0.614173 logG= -0.653285 Density= 3.418951 ETOT(band)= -1.559128 trlgG= -2.221345 logG= -0.653285 TDE= -4.394991 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038767 tlogG= -0.622997 logG= -0.661764 Density= 3.416838 ETOT(band)= -1.567804 trlgG= -2.236391 logG= -0.661764 TDE= -4.399811 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038809 tlogG= -0.625309 logG= -0.664118 Density= 3.416573 ETOT(band)= -1.569585 trlgG= -2.242087 logG= -0.664118 TDE= -4.402933 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.039042 tlogG= -0.620258 logG= -0.659300 Density= 3.418668 ETOT(band)= -1.564060 trlgG= -2.230103 logG= -0.659300 TDE= -4.397498 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039344 tlogG= -0.612825 logG= -0.652169 Density= 3.420029 ETOT(band)= -1.556952 trlgG= -2.220521 logG= -0.652169 TDE= -4.396174 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038912 tlogG= -0.626469 logG= -0.665381 Density= 3.416794 ETOT(band)= -1.570049 trlgG= -2.245228 logG= -0.665381 TDE= -4.404994 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038836 tlogG= -0.623523 logG= -0.662360 Density= 3.417137 ETOT(band)= -1.567851 trlgG= -2.237275 logG= -0.662360 TDE= -4.400346 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038838 tlogG= -0.620678 logG= -0.659516 Density= 3.417158 ETOT(band)= -1.565796 trlgG= -2.232212 logG= -0.659516 TDE= -4.398144 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039021 tlogG= -0.619867 logG= -0.658888 Density= 3.418202 ETOT(band)= -1.564100 trlgG= -2.230697 logG= -0.658888 TDE= -4.398121 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039118 tlogG= -0.616213 logG= -0.655331 Density= 3.418755 ETOT(band)= -1.560795 trlgG= -2.225352 logG= -0.655331 TDE= -4.396790 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038960 tlogG= -0.622373 logG= -0.661334 Density= 3.417889 ETOT(band)= -1.566287 trlgG= -2.235105 logG= -0.661334 TDE= -4.399824 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038724 tlogG= -0.627619 logG= -0.666344 Density= 3.416235 ETOT(band)= -1.571569 trlgG= -2.245161 logG= -0.666344 TDE= -4.403503 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.039132 tlogG= -0.617114 logG= -0.656247 Density= 3.418853 ETOT(band)= -1.561313 trlgG= -2.226559 logG= -0.656247 TDE= -4.397162 logGD-logG0= -0.038813 tlogG= -0.620922 logG= -0.659735 Density= 3.417313 ETOT(band)= -1.565908 trlgG= -2.232388 logG= -0.659735 TDE= -4.398229 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039061 tlogG= -0.616724 logG= -0.655786 Density= 3.418645 ETOT(band)= -1.561383 trlgG= -2.225234 logG= -0.655786 TDE= -4.396126 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039180 tlogG= -0.615696 logG= -0.654876 Density= 3.418897 ETOT(band)= -1.560185 trlgG= -2.225044 logG= -0.654876 TDE= -4.397054 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039002 tlogG= -0.620244 logG= -0.659246 Density= 3.418334 ETOT(band)= -1.564383 trlgG= -2.230582 logG= -0.659246 TDE= -4.397757 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039203 tlogG= -0.614012 logG= -0.653215 Density= 3.419589 ETOT(band)= -1.558461 trlgG= -2.220706 logG= -0.653215 TDE= -4.394950 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038975 tlogG= -0.622656 logG= -0.661630 Density= 3.418206 ETOT(band)= -1.566350 trlgG= -2.234611 logG= -0.661630 TDE= -4.399295 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039272 tlogG= -0.613427 logG= -0.652699 Density= 3.419798 ETOT(band)= -1.557722 trlgG= -2.220959 logG= -0.652699 TDE= -4.395891 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038871 tlogG= -0.620422 logG= -0.659293 Density= 3.417015 ETOT(band)= -1.565667 trlgG= -2.232177 logG= -0.659293 TDE= -4.398214 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038866 tlogG= -0.625179 logG= -0.664045 Density= 3.416998 ETOT(band)= -1.569080 trlgG= -2.241515 logG= -0.664045 TDE= -4.402786 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038732 tlogG= -0.625771 logG= -0.664503 Density= 3.416408 ETOT(band)= -1.570139 trlgG= -2.241665 logG= -0.664503 TDE= -4.401990 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039386 tlogG= -0.610464 logG= -0.649851 Density= 3.420433 ETOT(band)= -1.554831 trlgG= -2.216523 logG= -0.649851 TDE= -4.394828 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039038 tlogG= -0.619451 logG= -0.658489 Density= 3.418102 ETOT(band)= -1.563753 trlgG= -2.230486 logG= -0.658489 TDE= -4.398225 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038816 tlogG= -0.627063 logG= -0.665879 Density= 3.416497 ETOT(band)= -1.570842 trlgG= -2.245588 logG= -0.665879 TDE= -4.404611 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039286 tlogG= -0.612969 logG= -0.652256 Density= 3.419527 ETOT(band)= -1.557530 trlgG= -2.221018 logG= -0.652256 TDE= -4.396169 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038939 tlogG= -0.622627 logG= -0.661566 Density= 3.417244 ETOT(band)= -1.566903 trlgG= -2.237232 logG= -0.661566 TDE= -4.401185 logGD-logG0= -0.039130 tlogG= -0.617487 logG= -0.656617 Density= 3.419071 ETOT(band)= -1.561548 trlgG= -2.226463 logG= -0.656617 TDE= -4.396876 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039133 tlogG= -0.617842 logG= -0.656975 Density= 3.419313 ETOT(band)= -1.561746 trlgG= -2.226041 logG= -0.656975 TDE= -4.396296 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038985 tlogG= -0.619612 logG= -0.658597 Density= 3.417593 ETOT(band)= -1.564391 trlgG= -2.231152 logG= -0.658597 TDE= -4.398363 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.038870 tlogG= -0.622306 logG= -0.661176 Density= 3.416840 ETOT(band)= -1.567162 trlgG= -2.236585 logG= -0.661176 TDE= -4.400595 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038919 tlogG= -0.624706 logG= -0.663625 Density= 3.417066 ETOT(band)= -1.568565 trlgG= -2.241469 logG= -0.663625 TDE= -4.403216 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038933 tlogG= -0.620053 logG= -0.658985 Density= 3.417550 ETOT(band)= -1.564849 trlgG= -2.231551 logG= -0.658985 TDE= -4.398338 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038978 tlogG= -0.617810 logG= -0.656788 Density= 3.417912 ETOT(band)= -1.562860 trlgG= -2.227657 logG= -0.656788 TDE= -4.396941 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039507 tlogG= -0.609672 logG= -0.649179 Density= 3.420978 ETOT(band)= -1.553652 trlgG= -2.215602 logG= -0.649179 TDE= -4.395030 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038887 tlogG= -0.623084 logG= -0.661970 Density= 3.417170 ETOT(band)= -1.567399 trlgG= -2.237320 logG= -0.661970 TDE= -4.400808 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038991 tlogG= -0.620052 logG= -0.659043 Density= 3.418132 ETOT(band)= -1.564211 trlgG= -2.230407 logG= -0.659043 TDE= -4.397618 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039266 tlogG= -0.611182 logG= -0.650448 Density= 3.419912 ETOT(band)= -1.555908 trlgG= -2.216524 logG= -0.650448 TDE= -4.393802 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1021.46157176191 eV TrLogG= -1457.88158160320 eV Ratio to renormalize= 0.999593881682 rho-rho_expected= 0.066630463935 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 33) Finished k-point number 34 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 43) Finished k-point number 44 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800765057255299 0.802707322167084 0.802607856662811 0.800336139875873 0.803240039033849 0.802567817896449 0.801059478817460 0.802570907552166 0.802710951896513 0.800970621095161 0.802773161833259 0.802612777021771 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038735 tlogG= -0.627596 logG= -0.666331 Density= 3.416272 ETOT(band)= -1.571628 trlgG= -2.245210 logG= -0.666331 TDE= -4.403594 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.038898 tlogG= -0.624785 logG= -0.663684 Density= 3.416793 ETOT(band)= -1.569032 trlgG= -2.241980 logG= -0.663684 TDE= -4.403443 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038881 tlogG= -0.622283 logG= -0.661164 Density= 3.416877 ETOT(band)= -1.567222 trlgG= -2.236635 logG= -0.661164 TDE= -4.400687 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039210 tlogG= -0.613562 logG= -0.652772 Density= 3.419279 ETOT(band)= -1.558404 trlgG= -2.221593 logG= -0.652772 TDE= -4.396022 logGD-logG0= -0.038824 tlogG= -0.620900 logG= -0.659724 Density= 3.417349 ETOT(band)= -1.565969 trlgG= -2.232431 logG= -0.659724 TDE= -4.398314 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038936 tlogG= -0.618166 logG= -0.657102 Density= 3.417939 ETOT(band)= -1.563290 trlgG= -2.227513 logG= -0.657102 TDE= -4.396505 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039191 tlogG= -0.615673 logG= -0.654864 Density= 3.418936 ETOT(band)= -1.560244 trlgG= -2.225101 logG= -0.654864 TDE= -4.397155 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038996 tlogG= -0.619589 logG= -0.658585 Density= 3.417630 ETOT(band)= -1.564450 trlgG= -2.231201 logG= -0.658585 TDE= -4.398454 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038944 tlogG= -0.620030 logG= -0.658974 Density= 3.417587 ETOT(band)= -1.564909 trlgG= -2.231598 logG= -0.658974 TDE= -4.398427 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038882 tlogG= -0.620400 logG= -0.659282 Density= 3.417052 ETOT(band)= -1.565728 trlgG= -2.232224 logG= -0.659282 TDE= -4.398302 logGD-logG0= -0.039032 tlogG= -0.619844 logG= -0.658876 Density= 3.418239 ETOT(band)= -1.564161 trlgG= -2.230747 logG= -0.658876 TDE= -4.398213 logGD-logG0= -0.038986 tlogG= -0.622633 logG= -0.661619 Density= 3.418242 ETOT(band)= -1.566411 trlgG= -2.234657 logG= -0.661619 TDE= -4.399382 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038891 tlogG= -0.620429 logG= -0.659321 Density= 3.417559 ETOT(band)= -1.565310 trlgG= -2.231613 logG= -0.659321 TDE= -4.398072 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038962 tlogG= -0.622025 logG= -0.660987 Density= 3.417649 ETOT(band)= -1.566212 trlgG= -2.235467 logG= -0.660987 TDE= -4.400334 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039298 tlogG= -0.612946 logG= -0.652244 Density= 3.419566 ETOT(band)= -1.557589 trlgG= -2.221075 logG= -0.652244 TDE= -4.396271 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039013 tlogG= -0.620221 logG= -0.659234 Density= 3.418370 ETOT(band)= -1.564444 trlgG= -2.230631 logG= -0.659234 TDE= -4.397848 logGD-logG0= -0.039072 tlogG= -0.616702 logG= -0.655774 Density= 3.418682 ETOT(band)= -1.561443 trlgG= -2.225289 logG= -0.655774 TDE= -4.396223 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039129 tlogG= -0.616190 logG= -0.655319 Density= 3.418793 ETOT(band)= -1.560855 trlgG= -2.225410 logG= -0.655319 TDE= -4.396891 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038830 tlogG= -0.625601 logG= -0.664431 Density= 3.416995 ETOT(band)= -1.569602 trlgG= -2.241015 logG= -0.664431 TDE= -4.401897 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038827 tlogG= -0.627039 logG= -0.665867 Density= 3.416534 ETOT(band)= -1.570901 trlgG= -2.245637 logG= -0.665867 TDE= -4.404703 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039002 tlogG= -0.620030 logG= -0.659031 Density= 3.418169 ETOT(band)= -1.564272 trlgG= -2.230456 logG= -0.659031 TDE= -4.397708 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039053 tlogG= -0.620236 logG= -0.659289 Density= 3.418704 ETOT(band)= -1.564121 trlgG= -2.230150 logG= -0.659289 TDE= -4.397587 logGD-logG0= -0.038924 tlogG= -0.626445 logG= -0.665369 Density= 3.416832 ETOT(band)= -1.570108 trlgG= -2.245276 logG= -0.665369 TDE= -4.405086 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039277 tlogG= -0.611159 logG= -0.650436 Density= 3.419951 ETOT(band)= -1.555967 trlgG= -2.216581 logG= -0.650436 TDE= -4.393902 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039144 tlogG= -0.617819 logG= -0.656964 Density= 3.419350 ETOT(band)= -1.561807 trlgG= -2.226093 logG= -0.656964 TDE= -4.396390 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038847 tlogG= -0.623501 logG= -0.662348 Density= 3.417174 ETOT(band)= -1.567912 trlgG= -2.237321 logG= -0.662348 TDE= -4.400434 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038849 tlogG= -0.620655 logG= -0.659505 Density= 3.417195 ETOT(band)= -1.565857 trlgG= -2.232259 logG= -0.659505 TDE= -4.398233 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038743 tlogG= -0.625748 logG= -0.664491 Density= 3.416445 ETOT(band)= -1.570200 trlgG= -2.241711 logG= -0.664491 TDE= -4.402078 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039123 tlogG= -0.614150 logG= -0.653273 Density= 3.418989 ETOT(band)= -1.559188 trlgG= -2.221400 logG= -0.653273 TDE= -4.395090 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038877 tlogG= -0.625155 logG= -0.664032 Density= 3.417035 ETOT(band)= -1.569140 trlgG= -2.241565 logG= -0.664032 TDE= -4.402878 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038827 tlogG= -0.622652 logG= -0.661479 Density= 3.416870 ETOT(band)= -1.567573 trlgG= -2.236540 logG= -0.661479 TDE= -4.400272 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038820 tlogG= -0.625286 logG= -0.664106 Density= 3.416610 ETOT(band)= -1.569645 trlgG= -2.242136 logG= -0.664106 TDE= -4.403026 logGD-logG0= -0.038898 tlogG= -0.623061 logG= -0.661958 Density= 3.417207 ETOT(band)= -1.567459 trlgG= -2.237369 logG= -0.661958 TDE= -4.400900 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039141 tlogG= -0.617464 logG= -0.656606 Density= 3.419108 ETOT(band)= -1.561609 trlgG= -2.226519 logG= -0.656606 TDE= -4.396974 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038930 tlogG= -0.624682 logG= -0.663612 Density= 3.417104 ETOT(band)= -1.568625 trlgG= -2.241517 logG= -0.663612 TDE= -4.403309 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038778 tlogG= -0.622975 logG= -0.661752 Density= 3.416875 ETOT(band)= -1.567864 trlgG= -2.236434 logG= -0.661752 TDE= -4.399896 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038971 tlogG= -0.622351 logG= -0.661322 Density= 3.417926 ETOT(band)= -1.566348 trlgG= -2.235156 logG= -0.661322 TDE= -4.399917 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039144 tlogG= -0.617092 logG= -0.656235 Density= 3.418890 ETOT(band)= -1.561373 trlgG= -2.226614 logG= -0.656235 TDE= -4.397259 logGD-logG0= -0.039355 tlogG= -0.612802 logG= -0.652157 Density= 3.420068 ETOT(band)= -1.557010 trlgG= -2.220578 logG= -0.652157 TDE= -4.396275 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038951 tlogG= -0.622604 logG= -0.661554 Density= 3.417282 ETOT(band)= -1.566962 trlgG= -2.237281 logG= -0.661554 TDE= -4.401278 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039284 tlogG= -0.613404 logG= -0.652687 Density= 3.419837 ETOT(band)= -1.557782 trlgG= -2.221017 logG= -0.652687 TDE= -4.395993 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039039 tlogG= -0.617380 logG= -0.656419 Density= 3.417963 ETOT(band)= -1.562520 trlgG= -2.227600 logG= -0.656419 TDE= -4.397294 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039518 tlogG= -0.609649 logG= -0.649167 Density= 3.421018 ETOT(band)= -1.553710 trlgG= -2.215658 logG= -0.649167 TDE= -4.395131 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039214 tlogG= -0.613990 logG= -0.653204 Density= 3.419627 ETOT(band)= -1.558521 trlgG= -2.220763 logG= -0.653204 TDE= -4.395049 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039398 tlogG= -0.610441 logG= -0.649839 Density= 3.420473 ETOT(band)= -1.554889 trlgG= -2.216580 logG= -0.649839 TDE= -4.394930 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039050 tlogG= -0.619428 logG= -0.658478 Density= 3.418140 ETOT(band)= -1.563812 trlgG= -2.230537 logG= -0.658478 TDE= -4.398320 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039113 tlogG= -0.620433 logG= -0.659546 Density= 3.419291 ETOT(band)= -1.563928 trlgG= -2.229835 logG= -0.659546 TDE= -4.397502 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038989 tlogG= -0.617787 logG= -0.656776 Density= 3.417949 ETOT(band)= -1.562921 trlgG= -2.227712 logG= -0.656776 TDE= -4.397039 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 Sum of eigenvalues= -1021.50068047287 eV TrLogG= -1457.93505338929 eV Ratio to renormalize= 0.999582966188 rho-rho_expected= 0.068422079469 nargs= 1 argi=dmft2.def 30) Finished k-point number 31 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 17) Finished k-point number 18 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 23) Finished k-point number 24 1 with #bands= 107 36) Finished k-point number 37 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 1) Finished k-point number 2 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800766194066083 0.802707256075938 0.802609503683777 0.800337260741089 0.803240016505426 0.802569463144251 0.801060631798328 0.802570867188597 0.802712598385323 0.800971771435810 0.802773115642110 0.802614423585374 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038882 tlogG= -0.620394 logG= -0.659276 Density= 3.417052 ETOT(band)= -1.565719 trlgG= -2.232210 logG= -0.659276 TDE= -4.398294 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039123 tlogG= -0.614144 logG= -0.653267 Density= 3.418990 ETOT(band)= -1.559180 trlgG= -2.221386 logG= -0.653267 TDE= -4.395082 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039013 tlogG= -0.620215 logG= -0.659228 Density= 3.418371 ETOT(band)= -1.564436 trlgG= -2.230617 logG= -0.659228 TDE= -4.397840 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039032 tlogG= -0.619838 logG= -0.658870 Density= 3.418239 ETOT(band)= -1.564152 trlgG= -2.230733 logG= -0.658870 TDE= -4.398205 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038736 tlogG= -0.627590 logG= -0.666326 Density= 3.416272 ETOT(band)= -1.571620 trlgG= -2.245196 logG= -0.666326 TDE= -4.403587 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.038881 tlogG= -0.622277 logG= -0.661158 Density= 3.416878 ETOT(band)= -1.567214 trlgG= -2.236621 logG= -0.661158 TDE= -4.400680 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038891 tlogG= -0.620423 logG= -0.659315 Density= 3.417559 ETOT(band)= -1.565302 trlgG= -2.231599 logG= -0.659315 TDE= -4.398064 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038986 tlogG= -0.622627 logG= -0.661613 Density= 3.418242 ETOT(band)= -1.566403 trlgG= -2.234643 logG= -0.661613 TDE= -4.399375 logGD-logG0= -0.038924 tlogG= -0.626439 logG= -0.665363 Density= 3.416833 ETOT(band)= -1.570100 trlgG= -2.245262 logG= -0.665363 TDE= -4.405079 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039130 tlogG= -0.616184 logG= -0.655313 Density= 3.418793 ETOT(band)= -1.560847 trlgG= -2.225396 logG= -0.655313 TDE= -4.396884 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038849 tlogG= -0.620649 logG= -0.659498 Density= 3.417195 ETOT(band)= -1.565849 trlgG= -2.232244 logG= -0.659498 TDE= -4.398225 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038824 tlogG= -0.620894 logG= -0.659718 Density= 3.417349 ETOT(band)= -1.565961 trlgG= -2.232417 logG= -0.659718 TDE= -4.398306 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.039356 tlogG= -0.612796 logG= -0.652151 Density= 3.420069 ETOT(band)= -1.557002 trlgG= -2.220564 logG= -0.652151 TDE= -4.396267 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038899 tlogG= -0.624779 logG= -0.663678 Density= 3.416793 ETOT(band)= -1.569024 trlgG= -2.241966 logG= -0.663678 TDE= -4.403435 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038848 tlogG= -0.623495 logG= -0.662342 Density= 3.417174 ETOT(band)= -1.567904 trlgG= -2.237307 logG= -0.662342 TDE= -4.400426 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039073 tlogG= -0.616696 logG= -0.655768 Density= 3.418682 ETOT(band)= -1.561435 trlgG= -2.225275 logG= -0.655768 TDE= -4.396215 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038971 tlogG= -0.622345 logG= -0.661316 Density= 3.417926 ETOT(band)= -1.566340 trlgG= -2.235142 logG= -0.661316 TDE= -4.399909 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039191 tlogG= -0.615667 logG= -0.654858 Density= 3.418936 ETOT(band)= -1.560235 trlgG= -2.225087 logG= -0.654858 TDE= -4.397148 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038830 tlogG= -0.625595 logG= -0.664425 Density= 3.416995 ETOT(band)= -1.569594 trlgG= -2.241002 logG= -0.664425 TDE= -4.401890 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039210 tlogG= -0.613556 logG= -0.652766 Density= 3.419279 ETOT(band)= -1.558396 trlgG= -2.221578 logG= -0.652766 TDE= -4.396014 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039050 tlogG= -0.619422 logG= -0.658472 Density= 3.418140 ETOT(band)= -1.563804 trlgG= -2.230523 logG= -0.658472 TDE= -4.398312 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038936 tlogG= -0.618160 logG= -0.657096 Density= 3.417940 ETOT(band)= -1.563282 trlgG= -2.227499 logG= -0.657096 TDE= -4.396497 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039113 tlogG= -0.620427 logG= -0.659540 Density= 3.419291 ETOT(band)= -1.563920 trlgG= -2.229821 logG= -0.659540 TDE= -4.397494 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039214 tlogG= -0.613983 logG= -0.653197 Density= 3.419627 ETOT(band)= -1.558513 trlgG= -2.220749 logG= -0.653197 TDE= -4.395041 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039518 tlogG= -0.609642 logG= -0.649161 Density= 3.421018 ETOT(band)= -1.553701 trlgG= -2.215644 logG= -0.649161 TDE= -4.395123 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038877 tlogG= -0.625149 logG= -0.664027 Density= 3.417035 ETOT(band)= -1.569132 trlgG= -2.241551 logG= -0.664027 TDE= -4.402871 logGD-logG0= -0.039141 tlogG= -0.617458 logG= -0.656600 Density= 3.419108 ETOT(band)= -1.561601 trlgG= -2.226505 logG= -0.656600 TDE= -4.396966 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038944 tlogG= -0.620024 logG= -0.658968 Density= 3.417587 ETOT(band)= -1.564901 trlgG= -2.231584 logG= -0.658968 TDE= -4.398420 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039002 tlogG= -0.620023 logG= -0.659025 Density= 3.418169 ETOT(band)= -1.564263 trlgG= -2.230442 logG= -0.659025 TDE= -4.397700 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038820 tlogG= -0.625280 logG= -0.664100 Density= 3.416610 ETOT(band)= -1.569637 trlgG= -2.242123 logG= -0.664100 TDE= -4.403018 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038827 tlogG= -0.622646 logG= -0.661473 Density= 3.416870 ETOT(band)= -1.567565 trlgG= -2.236526 logG= -0.661473 TDE= -4.400264 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038951 tlogG= -0.622597 logG= -0.661548 Density= 3.417282 ETOT(band)= -1.566954 trlgG= -2.237267 logG= -0.661548 TDE= -4.401270 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038930 tlogG= -0.624676 logG= -0.663606 Density= 3.417104 ETOT(band)= -1.568617 trlgG= -2.241504 logG= -0.663606 TDE= -4.403301 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038962 tlogG= -0.622019 logG= -0.660981 Density= 3.417649 ETOT(band)= -1.566204 trlgG= -2.235453 logG= -0.660981 TDE= -4.400326 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039144 tlogG= -0.617086 logG= -0.656229 Density= 3.418891 ETOT(band)= -1.561364 trlgG= -2.226600 logG= -0.656229 TDE= -4.397252 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038827 tlogG= -0.627033 logG= -0.665861 Density= 3.416534 ETOT(band)= -1.570893 trlgG= -2.245623 logG= -0.665861 TDE= -4.404695 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039144 tlogG= -0.617813 logG= -0.656958 Density= 3.419350 ETOT(band)= -1.561799 trlgG= -2.226079 logG= -0.656958 TDE= -4.396382 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039298 tlogG= -0.612940 logG= -0.652238 Density= 3.419566 ETOT(band)= -1.557580 trlgG= -2.221061 logG= -0.652238 TDE= -4.396263 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038778 tlogG= -0.622969 logG= -0.661746 Density= 3.416875 ETOT(band)= -1.567856 trlgG= -2.236420 logG= -0.661746 TDE= -4.399888 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039398 tlogG= -0.610435 logG= -0.649833 Density= 3.420473 ETOT(band)= -1.554881 trlgG= -2.216566 logG= -0.649833 TDE= -4.394922 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039277 tlogG= -0.611153 logG= -0.650430 Density= 3.419951 ETOT(band)= -1.555959 trlgG= -2.216567 logG= -0.650430 TDE= -4.393895 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038743 tlogG= -0.625742 logG= -0.664485 Density= 3.416445 ETOT(band)= -1.570192 trlgG= -2.241697 logG= -0.664485 TDE= -4.402070 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038898 tlogG= -0.623054 logG= -0.661952 Density= 3.417207 ETOT(band)= -1.567451 trlgG= -2.237355 logG= -0.661952 TDE= -4.400892 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038996 tlogG= -0.619583 logG= -0.658579 Density= 3.417631 ETOT(band)= -1.564442 trlgG= -2.231186 logG= -0.658579 TDE= -4.398446 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039053 tlogG= -0.620230 logG= -0.659283 Density= 3.418704 ETOT(band)= -1.564113 trlgG= -2.230136 logG= -0.659283 TDE= -4.397579 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038989 tlogG= -0.617781 logG= -0.656770 Density= 3.417949 ETOT(band)= -1.562913 trlgG= -2.227698 logG= -0.656770 TDE= -4.397031 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039284 tlogG= -0.613398 logG= -0.652681 Density= 3.419837 ETOT(band)= -1.557774 trlgG= -2.221003 logG= -0.652681 TDE= -4.395985 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039039 tlogG= -0.617374 logG= -0.656413 Density= 3.417964 ETOT(band)= -1.562512 trlgG= -2.227585 logG= -0.656413 TDE= -4.397286 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1021.49539688737 eV TrLogG= -1457.92606816194 eV Ratio to renormalize= 0.999582890052 rho-rho_expected= 0.068434576226 nargs= 1 argi=dmft2.def 31) Finished k-point number 32 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 1) Finished k-point number 2 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 34) Finished k-point number 35 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 36) Finished k-point number 37 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 20) Finished k-point number 21 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 11) Finished k-point number 12 1 with #bands= 107 4) Finished k-point number 5 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800765287377022 0.802706525589788 0.802608588896164 0.800336352895655 0.803239282977225 0.802568552846488 0.801059726898107 0.802570128720305 0.802711685708912 0.800970869290568 0.802772373046525 0.802613515108338 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038881 tlogG= -0.622277 logG= -0.661158 Density= 3.416877 ETOT(band)= -1.567214 trlgG= -2.236622 logG= -0.661158 TDE= -4.400679 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038882 tlogG= -0.620394 logG= -0.659276 Density= 3.417051 ETOT(band)= -1.565719 trlgG= -2.232210 logG= -0.659276 TDE= -4.398294 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039013 tlogG= -0.620216 logG= -0.659229 Density= 3.418370 ETOT(band)= -1.564436 trlgG= -2.230618 logG= -0.659229 TDE= -4.397839 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038924 tlogG= -0.626440 logG= -0.665363 Density= 3.416832 ETOT(band)= -1.570100 trlgG= -2.245263 logG= -0.665363 TDE= -4.405078 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039210 tlogG= -0.613557 logG= -0.652767 Density= 3.419278 ETOT(band)= -1.558396 trlgG= -2.221579 logG= -0.652767 TDE= -4.396013 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038830 tlogG= -0.625596 logG= -0.664426 Density= 3.416994 ETOT(band)= -1.569594 trlgG= -2.241002 logG= -0.664426 TDE= -4.401889 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038986 tlogG= -0.622628 logG= -0.661613 Density= 3.418241 ETOT(band)= -1.566403 trlgG= -2.234644 logG= -0.661613 TDE= -4.399374 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038950 tlogG= -0.622598 logG= -0.661549 Density= 3.417282 ETOT(band)= -1.566954 trlgG= -2.237268 logG= -0.661549 TDE= -4.401269 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038891 tlogG= -0.620424 logG= -0.659315 Density= 3.417558 ETOT(band)= -1.565302 trlgG= -2.231599 logG= -0.659315 TDE= -4.398063 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039072 tlogG= -0.616697 logG= -0.655769 Density= 3.418682 ETOT(band)= -1.561435 trlgG= -2.225275 logG= -0.655769 TDE= -4.396215 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039129 tlogG= -0.616184 logG= -0.655314 Density= 3.418793 ETOT(band)= -1.560847 trlgG= -2.225397 logG= -0.655314 TDE= -4.396883 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039123 tlogG= -0.614145 logG= -0.653268 Density= 3.418989 ETOT(band)= -1.559180 trlgG= -2.221387 logG= -0.653268 TDE= -4.395081 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038936 tlogG= -0.618161 logG= -0.657097 Density= 3.417939 ETOT(band)= -1.563282 trlgG= -2.227499 logG= -0.657097 TDE= -4.396497 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038877 tlogG= -0.625150 logG= -0.664027 Density= 3.417034 ETOT(band)= -1.569132 trlgG= -2.241551 logG= -0.664027 TDE= -4.402870 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038847 tlogG= -0.623495 logG= -0.662343 Density= 3.417173 ETOT(band)= -1.567904 trlgG= -2.237308 logG= -0.662343 TDE= -4.400426 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038827 tlogG= -0.627034 logG= -0.665861 Density= 3.416534 ETOT(band)= -1.570893 trlgG= -2.245624 logG= -0.665861 TDE= -4.404694 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038930 tlogG= -0.624677 logG= -0.663607 Density= 3.417104 ETOT(band)= -1.568617 trlgG= -2.241504 logG= -0.663607 TDE= -4.403300 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038898 tlogG= -0.624780 logG= -0.663678 Density= 3.416793 ETOT(band)= -1.569024 trlgG= -2.241967 logG= -0.663678 TDE= -4.403435 logGD-logG0= -0.039141 tlogG= -0.617459 logG= -0.656600 Density= 3.419108 ETOT(band)= -1.561601 trlgG= -2.226505 logG= -0.656600 TDE= -4.396965 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038971 tlogG= -0.622346 logG= -0.661317 Density= 3.417926 ETOT(band)= -1.566340 trlgG= -2.235142 logG= -0.661317 TDE= -4.399908 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038735 tlogG= -0.627591 logG= -0.666326 Density= 3.416272 ETOT(band)= -1.571620 trlgG= -2.245197 logG= -0.666326 TDE= -4.403586 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.039050 tlogG= -0.619423 logG= -0.658472 Density= 3.418139 ETOT(band)= -1.563804 trlgG= -2.230524 logG= -0.658472 TDE= -4.398311 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039039 tlogG= -0.617375 logG= -0.656414 Density= 3.417963 ETOT(band)= -1.562512 trlgG= -2.227586 logG= -0.656414 TDE= -4.397286 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039398 tlogG= -0.610436 logG= -0.649833 Density= 3.420472 ETOT(band)= -1.554881 trlgG= -2.216566 logG= -0.649833 TDE= -4.394921 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039112 tlogG= -0.620428 logG= -0.659541 Density= 3.419291 ETOT(band)= -1.563920 trlgG= -2.229822 logG= -0.659541 TDE= -4.397493 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039032 tlogG= -0.619839 logG= -0.658871 Density= 3.418239 ETOT(band)= -1.564152 trlgG= -2.230734 logG= -0.658871 TDE= -4.398205 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038961 tlogG= -0.622020 logG= -0.660981 Density= 3.417648 ETOT(band)= -1.566204 trlgG= -2.235453 logG= -0.660981 TDE= -4.400325 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039355 tlogG= -0.612796 logG= -0.652152 Density= 3.420068 ETOT(band)= -1.557002 trlgG= -2.220564 logG= -0.652152 TDE= -4.396267 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039298 tlogG= -0.612941 logG= -0.652238 Density= 3.419566 ETOT(band)= -1.557581 trlgG= -2.221061 logG= -0.652238 TDE= -4.396262 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039214 tlogG= -0.613984 logG= -0.653198 Density= 3.419627 ETOT(band)= -1.558513 trlgG= -2.220749 logG= -0.653198 TDE= -4.395040 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038824 tlogG= -0.620894 logG= -0.659718 Density= 3.417349 ETOT(band)= -1.565961 trlgG= -2.232418 logG= -0.659718 TDE= -4.398305 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.038996 tlogG= -0.619584 logG= -0.658580 Density= 3.417630 ETOT(band)= -1.564442 trlgG= -2.231187 logG= -0.658580 TDE= -4.398446 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038898 tlogG= -0.623055 logG= -0.661953 Density= 3.417207 ETOT(band)= -1.567451 trlgG= -2.237356 logG= -0.661953 TDE= -4.400891 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038820 tlogG= -0.625281 logG= -0.664100 Density= 3.416610 ETOT(band)= -1.569637 trlgG= -2.242123 logG= -0.664100 TDE= -4.403017 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038743 tlogG= -0.625743 logG= -0.664486 Density= 3.416444 ETOT(band)= -1.570192 trlgG= -2.241697 logG= -0.664486 TDE= -4.402070 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039002 tlogG= -0.620024 logG= -0.659026 Density= 3.418168 ETOT(band)= -1.564263 trlgG= -2.230442 logG= -0.659026 TDE= -4.397700 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038944 tlogG= -0.620025 logG= -0.658968 Density= 3.417587 ETOT(band)= -1.564901 trlgG= -2.231585 logG= -0.658968 TDE= -4.398419 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038827 tlogG= -0.622647 logG= -0.661473 Density= 3.416869 ETOT(band)= -1.567565 trlgG= -2.236527 logG= -0.661473 TDE= -4.400264 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039191 tlogG= -0.615667 logG= -0.654858 Density= 3.418935 ETOT(band)= -1.560235 trlgG= -2.225088 logG= -0.654858 TDE= -4.397147 logGD-logG0= -0.039283 tlogG= -0.613398 logG= -0.652682 Density= 3.419836 ETOT(band)= -1.557774 trlgG= -2.221003 logG= -0.652682 TDE= -4.395984 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039144 tlogG= -0.617814 logG= -0.656958 Density= 3.419349 ETOT(band)= -1.561799 trlgG= -2.226080 logG= -0.656958 TDE= -4.396381 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038989 tlogG= -0.617782 logG= -0.656771 Density= 3.417949 ETOT(band)= -1.562913 trlgG= -2.227699 logG= -0.656771 TDE= -4.397030 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039277 tlogG= -0.611154 logG= -0.650431 Density= 3.419950 ETOT(band)= -1.555959 trlgG= -2.216567 logG= -0.650431 TDE= -4.393894 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039053 tlogG= -0.620231 logG= -0.659284 Density= 3.418703 ETOT(band)= -1.564113 trlgG= -2.230137 logG= -0.659284 TDE= -4.397579 logGD-logG0= -0.038778 tlogG= -0.622969 logG= -0.661747 Density= 3.416874 ETOT(band)= -1.567856 trlgG= -2.236421 logG= -0.661747 TDE= -4.399887 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038849 tlogG= -0.620650 logG= -0.659499 Density= 3.417195 ETOT(band)= -1.565849 trlgG= -2.232245 logG= -0.659499 TDE= -4.398225 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039518 tlogG= -0.609643 logG= -0.649161 Density= 3.421017 ETOT(band)= -1.553701 trlgG= -2.215644 logG= -0.649161 TDE= -4.395122 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039144 tlogG= -0.617086 logG= -0.656230 Density= 3.418890 ETOT(band)= -1.561364 trlgG= -2.226601 logG= -0.656230 TDE= -4.397251 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 Sum of eigenvalues= -1021.49539853747 eV TrLogG= -1457.92610973237 eV Ratio to renormalize= 0.999583063219 rho-rho_expected= 0.068406153198 nargs= 1 argi=dmft2.def 4) Finished k-point number 5 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 21) Finished k-point number 22 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 23) Finished k-point number 24 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800645845698168 0.802605607932862 0.802494011066839 0.800216657903522 0.803137794166007 0.802455386052091 0.800940720130804 0.802468894110897 0.802597388998684 0.800851955159866 0.802670927525823 0.802499495198252 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038872 tlogG= -0.624823 logG= -0.663695 Density= 3.416708 ETOT(band)= -1.568926 trlgG= -2.241882 logG= -0.663695 TDE= -4.403263 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038897 tlogG= -0.626484 logG= -0.665381 Density= 3.416747 ETOT(band)= -1.570004 trlgG= -2.245180 logG= -0.665381 TDE= -4.404907 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038910 tlogG= -0.618201 logG= -0.657111 Density= 3.417856 ETOT(band)= -1.563181 trlgG= -2.227409 logG= -0.657111 TDE= -4.396323 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038823 tlogG= -0.620691 logG= -0.659514 Density= 3.417112 ETOT(band)= -1.565748 trlgG= -2.232166 logG= -0.659514 TDE= -4.398062 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038804 tlogG= -0.625638 logG= -0.664442 Density= 3.416912 ETOT(band)= -1.569493 trlgG= -2.240923 logG= -0.664442 TDE= -4.401726 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038865 tlogG= -0.620465 logG= -0.659330 Density= 3.417475 ETOT(band)= -1.565201 trlgG= -2.231519 logG= -0.659330 TDE= -4.397899 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.039006 tlogG= -0.619881 logG= -0.658886 Density= 3.418155 ETOT(band)= -1.564052 trlgG= -2.230647 logG= -0.658886 TDE= -4.398034 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038959 tlogG= -0.622669 logG= -0.661628 Density= 3.418161 ETOT(band)= -1.566300 trlgG= -2.234565 logG= -0.661628 TDE= -4.399214 logGD-logG0= -0.039103 tlogG= -0.616226 logG= -0.655329 Density= 3.418708 ETOT(band)= -1.560748 trlgG= -2.225293 logG= -0.655329 TDE= -4.396693 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038987 tlogG= -0.620257 logG= -0.659244 Density= 3.418288 ETOT(band)= -1.564334 trlgG= -2.230533 logG= -0.659244 TDE= -4.397672 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038709 tlogG= -0.627633 logG= -0.666342 Density= 3.416188 ETOT(band)= -1.571522 trlgG= -2.245113 logG= -0.666342 TDE= -4.403417 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038800 tlogG= -0.622688 logG= -0.661488 Density= 3.416786 ETOT(band)= -1.567465 trlgG= -2.236442 logG= -0.661488 TDE= -4.400094 logGD-logG0= -0.038945 tlogG= -0.622387 logG= -0.661332 Density= 3.417844 ETOT(band)= -1.566238 trlgG= -2.235054 logG= -0.661332 TDE= -4.399738 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038821 tlogG= -0.623537 logG= -0.662358 Density= 3.417090 ETOT(band)= -1.567803 trlgG= -2.237230 logG= -0.662358 TDE= -4.400264 logGD-logG0= -0.038797 tlogG= -0.620935 logG= -0.659732 Density= 3.417266 ETOT(band)= -1.565859 trlgG= -2.232346 logG= -0.659732 TDE= -4.398152 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039046 tlogG= -0.616738 logG= -0.655784 Density= 3.418598 ETOT(band)= -1.561335 trlgG= -2.225180 logG= -0.655784 TDE= -4.396034 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039023 tlogG= -0.619465 logG= -0.658488 Density= 3.418055 ETOT(band)= -1.563706 trlgG= -2.230434 logG= -0.658488 TDE= -4.398136 logGD-logG0= -0.039097 tlogG= -0.614186 logG= -0.653283 Density= 3.418904 ETOT(band)= -1.559081 trlgG= -2.221289 logG= -0.653283 TDE= -4.394897 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038871 tlogG= -0.623098 logG= -0.661969 Density= 3.417123 ETOT(band)= -1.567352 trlgG= -2.237272 logG= -0.661969 TDE= -4.400722 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038855 tlogG= -0.620436 logG= -0.659292 Density= 3.416967 ETOT(band)= -1.565620 trlgG= -2.232132 logG= -0.659292 TDE= -4.398131 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038751 tlogG= -0.623010 logG= -0.661762 Density= 3.416792 ETOT(band)= -1.567755 trlgG= -2.236349 logG= -0.661762 TDE= -4.399732 logGD-logG0= -0.039115 tlogG= -0.617500 logG= -0.656615 logGD-logG0= -0.038855 tlogG= -0.622320 logG= -0.661174 Density= 3.419025 ETOT(band)= -1.561499 trlgG= -2.226407 logG= -0.656615 TDE= -4.396784 Density= 3.416793 ETOT(band)= -1.567115 trlgG= -2.236535 logG= -0.661174 TDE= -4.400507 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039257 tlogG= -0.613441 logG= -0.652697 Density= 3.419751 ETOT(band)= -1.557675 trlgG= -2.220899 logG= -0.652697 TDE= -4.395794 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039250 tlogG= -0.611196 logG= -0.650446 Density= 3.419864 ETOT(band)= -1.555862 trlgG= -2.216466 logG= -0.650446 TDE= -4.393705 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039118 tlogG= -0.617855 logG= -0.656972 Density= 3.419268 ETOT(band)= -1.561696 trlgG= -2.225988 logG= -0.656972 TDE= -4.396208 logGD-logG0= -0.038793 tlogG= -0.625323 logG= -0.664116 Density= 3.416526 ETOT(band)= -1.569538 trlgG= -2.242037 logG= -0.664116 TDE= -4.402846 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038904 tlogG= -0.624720 logG= -0.663624 Density= 3.417019 ETOT(band)= -1.568519 trlgG= -2.241419 logG= -0.663624 TDE= -4.403129 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038801 tlogG= -0.627078 logG= -0.665878 Density= 3.416449 ETOT(band)= -1.570796 trlgG= -2.245540 logG= -0.665878 TDE= -4.404524 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039117 tlogG= -0.617128 logG= -0.656245 Density= 3.418805 ETOT(band)= -1.561265 trlgG= -2.226503 logG= -0.656245 TDE= -4.397068 logGD-logG0= -0.038970 tlogG= -0.619626 logG= -0.658596 Density= 3.417545 ETOT(band)= -1.564344 trlgG= -2.231105 logG= -0.658596 TDE= -4.398277 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.039371 tlogG= -0.610479 logG= -0.649850 Density= 3.420384 ETOT(band)= -1.554785 trlgG= -2.216464 logG= -0.649850 TDE= -4.394730 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039183 tlogG= -0.613600 logG= -0.652783 Density= 3.419192 ETOT(band)= -1.558298 trlgG= -2.221475 logG= -0.652783 TDE= -4.395823 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038917 tlogG= -0.620066 logG= -0.658984 Density= 3.417503 ETOT(band)= -1.564802 trlgG= -2.231504 logG= -0.658984 TDE= -4.398254 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039271 tlogG= -0.612984 logG= -0.652255 Density= 3.419479 ETOT(band)= -1.557484 trlgG= -2.220959 logG= -0.652255 TDE= -4.396072 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039027 tlogG= -0.620271 logG= -0.659298 Density= 3.418622 ETOT(band)= -1.564010 trlgG= -2.230055 logG= -0.659298 TDE= -4.397416 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039491 tlogG= -0.609687 logG= -0.649178 Density= 3.420929 ETOT(band)= -1.553607 trlgG= -2.215544 logG= -0.649178 TDE= -4.394932 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039013 tlogG= -0.617417 logG= -0.656429 Density= 3.417878 ETOT(band)= -1.562413 trlgG= -2.227487 logG= -0.656429 TDE= -4.397101 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038924 tlogG= -0.622641 logG= -0.661565 Density= 3.417197 ETOT(band)= -1.566857 trlgG= -2.237183 logG= -0.661565 TDE= -4.401098 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039329 tlogG= -0.612839 logG= -0.652168 Density= 3.419981 ETOT(band)= -1.556905 trlgG= -2.220462 logG= -0.652168 TDE= -4.396076 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038717 tlogG= -0.625785 logG= -0.664501 Density= 3.416361 ETOT(band)= -1.570092 trlgG= -2.241620 logG= -0.664501 TDE= -4.401908 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039187 tlogG= -0.614026 logG= -0.653213 Density= 3.419542 ETOT(band)= -1.558413 trlgG= -2.220649 logG= -0.653213 TDE= -4.394855 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038975 tlogG= -0.620065 logG= -0.659041 Density= 3.418085 ETOT(band)= -1.564163 trlgG= -2.230359 logG= -0.659041 TDE= -4.397533 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038963 tlogG= -0.617823 logG= -0.656786 Density= 3.417865 ETOT(band)= -1.562813 trlgG= -2.227600 logG= -0.656786 TDE= -4.396847 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039164 tlogG= -0.615710 logG= -0.654875 Density= 3.418849 ETOT(band)= -1.560138 trlgG= -2.224985 logG= -0.654875 TDE= -4.396957 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038935 tlogG= -0.622062 logG= -0.660997 Density= 3.417565 ETOT(band)= -1.566104 trlgG= -2.235366 logG= -0.660997 TDE= -4.400154 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038851 tlogG= -0.625193 logG= -0.664043 Density= 3.416951 ETOT(band)= -1.569032 trlgG= -2.241465 logG= -0.664043 TDE= -4.402699 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039086 tlogG= -0.620468 logG= -0.659554 Density= 3.419212 ETOT(band)= -1.563815 trlgG= -2.229746 logG= -0.659554 TDE= -4.397338 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 Sum of eigenvalues= -1021.43052452527 eV TrLogG= -1457.82280634178 eV Ratio to renormalize= 0.999607630035 rho-rho_expected= 0.064373932617 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 45) Finished k-point number 46 1 with #bands= 107 8) Finished k-point number 9 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 24) Finished k-point number 25 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 10) Finished k-point number 11 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800663027372919 0.802627479194783 0.802513872228250 0.800233801072510 0.803159936972709 0.802474883509250 0.800957869278858 0.802490777505772 0.802617243145464 0.800869030261744 0.802692797741822 0.802519370175608 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038962 tlogG= -0.616223 logG= -0.655185 Density= 3.418783 ETOT(band)= -1.560721 trlgG= -2.225128 logG= -0.655185 TDE= -4.396735 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038807 tlogG= -0.622383 logG= -0.661191 Density= 3.417938 ETOT(band)= -1.566199 trlgG= -2.234873 logG= -0.661191 TDE= -4.399775 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038906 tlogG= -0.616734 logG= -0.655641 logGD-logG0= -0.038713 tlogG= -0.620433 logG= -0.659146 Density= 3.417045 ETOT(band)= -1.565590 trlgG= -2.231959 logG= -0.659146 TDE= -4.398167 Density= 3.418682 ETOT(band)= -1.561303 trlgG= -2.225007 logG= -0.655641 TDE= -4.396075 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038756 tlogG= -0.626480 logG= -0.665236 Density= 3.416828 ETOT(band)= -1.569972 trlgG= -2.245007 logG= -0.665236 TDE= -4.404945 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038768 tlogG= -0.618198 logG= -0.656966 Density= 3.417938 ETOT(band)= -1.563148 trlgG= -2.227235 logG= -0.656966 TDE= -4.396362 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039041 tlogG= -0.613596 logG= -0.652637 Density= 3.419260 ETOT(band)= -1.558277 trlgG= -2.221315 logG= -0.652637 TDE= -4.395864 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038570 tlogG= -0.627630 logG= -0.666200 Density= 3.416285 ETOT(band)= -1.571478 trlgG= -2.244928 logG= -0.666200 TDE= -4.403455 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038731 tlogG= -0.624820 logG= -0.663550 Density= 3.416788 ETOT(band)= -1.568895 trlgG= -2.241709 logG= -0.663550 TDE= -4.403301 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038682 tlogG= -0.623533 logG= -0.662216 Density= 3.417185 ETOT(band)= -1.567762 trlgG= -2.237046 logG= -0.662216 TDE= -4.400301 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038867 tlogG= -0.619877 logG= -0.658744 Density= 3.418242 ETOT(band)= -1.564018 trlgG= -2.230471 logG= -0.658744 TDE= -4.398072 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038850 tlogG= -0.620253 logG= -0.659103 Density= 3.418383 ETOT(band)= -1.564295 trlgG= -2.230351 logG= -0.659103 TDE= -4.397709 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038955 tlogG= -0.614183 logG= -0.653138 Density= 3.418980 ETOT(band)= -1.559054 trlgG= -2.221122 logG= -0.653138 TDE= -4.394938 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038724 tlogG= -0.620462 logG= -0.659186 Density= 3.417563 ETOT(band)= -1.565165 trlgG= -2.231340 logG= -0.659186 TDE= -4.397936 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038977 tlogG= -0.617497 logG= -0.656473 Density= 3.419110 ETOT(band)= -1.561467 trlgG= -2.226234 logG= -0.656473 TDE= -4.396824 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038713 tlogG= -0.622316 logG= -0.661029 Density= 3.416872 ETOT(band)= -1.567084 trlgG= -2.236363 logG= -0.661029 TDE= -4.400545 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039186 tlogG= -0.612836 logG= -0.652022 Density= 3.420044 ETOT(band)= -1.556887 trlgG= -2.220306 logG= -0.652022 TDE= -4.396118 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038824 tlogG= -0.622665 logG= -0.661489 Density= 3.418264 ETOT(band)= -1.566256 trlgG= -2.234376 logG= -0.661489 TDE= -4.399250 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038882 tlogG= -0.619461 logG= -0.658344 Density= 3.418132 ETOT(band)= -1.563677 trlgG= -2.230265 logG= -0.658344 TDE= -4.398175 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039127 tlogG= -0.612980 logG= -0.652107 Density= 3.419538 ETOT(band)= -1.557467 trlgG= -2.220804 logG= -0.652107 TDE= -4.396113 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039022 tlogG= -0.615707 logG= -0.654729 Density= 3.418916 ETOT(band)= -1.560117 trlgG= -2.224826 logG= -0.654729 TDE= -4.396999 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038712 tlogG= -0.625189 logG= -0.663901 Density= 3.417043 ETOT(band)= -1.568993 trlgG= -2.241285 logG= -0.663901 TDE= -4.402737 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038661 tlogG= -0.627074 logG= -0.665735 Density= 3.416539 ETOT(band)= -1.570757 trlgG= -2.245360 logG= -0.665735 TDE= -4.404562 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=118 logGD-logG0= -0.039048 tlogG= -0.614022 logG= -0.653070 Density= 3.419623 ETOT(band)= -1.558384 trlgG= -2.220481 logG= -0.653070 TDE= -4.394896 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038659 tlogG= -0.622685 logG= -0.661344 Density= 3.416871 ETOT(band)= -1.567430 trlgG= -2.236264 logG= -0.661344 TDE= -4.400132 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038666 tlogG= -0.625634 logG= -0.664300 Density= 3.417012 ETOT(band)= -1.569449 trlgG= -2.240736 logG= -0.664300 TDE= -4.401763 logGD-logG0= -0.038870 tlogG= -0.617413 logG= -0.656283 Density= 3.417947 ETOT(band)= -1.562390 trlgG= -2.227324 logG= -0.656283 TDE= -4.397141 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038828 tlogG= -0.619623 logG= -0.658450 Density= 3.417618 ETOT(band)= -1.564318 trlgG= -2.230936 logG= -0.658450 TDE= -4.398315 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038764 tlogG= -0.624716 logG= -0.663480 Density= 3.417102 ETOT(band)= -1.568486 trlgG= -2.241245 logG= -0.663480 TDE= -4.403167 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038656 tlogG= -0.620931 logG= -0.659588 Density= 3.417354 ETOT(band)= -1.565822 trlgG= -2.232165 logG= -0.659588 TDE= -4.398187 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038776 tlogG= -0.620063 logG= -0.658839 Density= 3.417583 ETOT(band)= -1.564770 trlgG= -2.231330 logG= -0.658839 TDE= -4.398291 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038982 tlogG= -0.617851 logG= -0.656833 Density= 3.419363 ETOT(band)= -1.561658 trlgG= -2.225808 logG= -0.656833 TDE= -4.396247 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038681 tlogG= -0.620688 logG= -0.659369 Density= 3.417195 ETOT(band)= -1.565714 trlgG= -2.231989 logG= -0.659369 TDE= -4.398099 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038977 tlogG= -0.617125 logG= -0.656101 Density= 3.418881 ETOT(band)= -1.561238 trlgG= -2.226336 logG= -0.656101 TDE= -4.397108 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038783 tlogG= -0.622638 logG= -0.661421 Density= 3.417276 ETOT(band)= -1.566826 trlgG= -2.237011 logG= -0.661421 TDE= -4.401136 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038836 tlogG= -0.620062 logG= -0.658898 Density= 3.418171 ETOT(band)= -1.564129 trlgG= -2.230182 logG= -0.658898 TDE= -4.397570 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038890 tlogG= -0.620268 logG= -0.659158 Density= 3.418718 ETOT(band)= -1.563971 trlgG= -2.229872 logG= -0.659158 TDE= -4.397452 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038653 tlogG= -0.625320 logG= -0.663973 Density= 3.416613 ETOT(band)= -1.569501 trlgG= -2.241859 logG= -0.663973 TDE= -4.402884 logGD-logG0= -0.039228 tlogG= -0.610475 logG= -0.649703 Density= 3.420445 ETOT(band)= -1.554768 trlgG= -2.216309 logG= -0.649703 TDE= -4.394772 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039109 tlogG= -0.611193 logG= -0.650301 Density= 3.419933 ETOT(band)= -1.555840 trlgG= -2.216304 logG= -0.650301 TDE= -4.393746 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039347 tlogG= -0.609683 logG= -0.649030 Density= 3.420983 ETOT(band)= -1.553594 trlgG= -2.215393 logG= -0.649030 TDE= -4.394974 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039116 tlogG= -0.613437 logG= -0.652553 Density= 3.419822 ETOT(band)= -1.557652 trlgG= -2.220738 logG= -0.652553 TDE= -4.395836 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038952 tlogG= -0.620464 logG= -0.659416 Density= 3.419317 ETOT(band)= -1.563771 trlgG= -2.229556 logG= -0.659416 TDE= -4.397373 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038821 tlogG= -0.617820 logG= -0.656640 Density= 3.417941 ETOT(band)= -1.562784 trlgG= -2.227432 logG= -0.656640 TDE= -4.396887 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038731 tlogG= -0.623094 logG= -0.661825 Density= 3.417210 ETOT(band)= -1.567316 trlgG= -2.237094 logG= -0.661825 TDE= -4.400760 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038577 tlogG= -0.625781 logG= -0.664358 Density= 3.416455 ETOT(band)= -1.570050 trlgG= -2.241436 logG= -0.664358 TDE= -4.401945 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038611 tlogG= -0.623007 logG= -0.661618 Density= 3.416882 ETOT(band)= -1.567716 trlgG= -2.236166 logG= -0.661618 TDE= -4.399768 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038796 tlogG= -0.622058 logG= -0.660854 Density= 3.417650 ETOT(band)= -1.566070 trlgG= -2.235190 logG= -0.660854 TDE= -4.400192 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Sum of eigenvalues= -1021.40964303584 eV TrLogG= -1457.75408682293 eV Ratio to renormalize= 0.999583564846 rho-rho_expected= 0.068323817664 nargs= 1 argi=dmft2.def 27) Finished k-point number 28 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 44) Finished k-point number 45 1 with #bands= 107 29) Finished k-point number 30 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 45) Finished k-point number 46 1 with #bands= 107 5) Finished k-point number 6 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 13) Finished k-point number 14 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800653847319635 0.802618234970242 0.802506281232810 0.800224593932691 0.803150663843433 0.802467397687578 0.800948717472507 0.802481545531383 0.802609640834680 0.800859897856531 0.802683576754790 0.802511766375019 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038711 tlogG= -0.622317 logG= -0.661028 Density= 3.416865 ETOT(band)= -1.567073 trlgG= -2.236349 logG= -0.661028 TDE= -4.400528 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038960 tlogG= -0.616223 logG= -0.655183 Density= 3.418777 ETOT(band)= -1.560710 trlgG= -2.225113 logG= -0.655183 TDE= -4.396716 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038568 tlogG= -0.627630 logG= -0.666198 Density= 3.416279 ETOT(band)= -1.571466 trlgG= -2.244915 logG= -0.666198 TDE= -4.403438 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038711 tlogG= -0.620433 logG= -0.659144 Density= 3.417038 ETOT(band)= -1.565578 trlgG= -2.231946 logG= -0.659144 TDE= -4.398151 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038664 tlogG= -0.625635 logG= -0.664298 Density= 3.417005 ETOT(band)= -1.569437 trlgG= -2.240722 logG= -0.664298 TDE= -4.401746 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038654 tlogG= -0.620932 logG= -0.659586 Density= 3.417347 ETOT(band)= -1.565810 trlgG= -2.232152 logG= -0.659586 TDE= -4.398171 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039046 tlogG= -0.614022 logG= -0.653069 Density= 3.419616 ETOT(band)= -1.558373 trlgG= -2.220466 logG= -0.653069 TDE= -4.394878 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038680 tlogG= -0.623534 logG= -0.662214 Density= 3.417178 ETOT(band)= -1.567751 trlgG= -2.237033 logG= -0.662214 TDE= -4.400284 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038762 tlogG= -0.624717 logG= -0.663478 Density= 3.417096 ETOT(band)= -1.568474 trlgG= -2.241231 logG= -0.663478 TDE= -4.403150 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038754 tlogG= -0.626481 logG= -0.665235 Density= 3.416821 ETOT(band)= -1.569960 trlgG= -2.244993 logG= -0.665235 TDE= -4.404928 logGD-logG0= -0.038950 tlogG= -0.620464 logG= -0.659414 Density= 3.419311 ETOT(band)= -1.563759 trlgG= -2.229544 logG= -0.659414 TDE= -4.397357 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038794 tlogG= -0.622059 logG= -0.660852 Density= 3.417644 ETOT(band)= -1.566058 trlgG= -2.235177 logG= -0.660852 TDE= -4.400174 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038805 tlogG= -0.622383 logG= -0.661189 Density= 3.417932 ETOT(band)= -1.566187 trlgG= -2.234859 logG= -0.661189 TDE= -4.399758 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039020 tlogG= -0.615707 logG= -0.654727 Density= 3.418909 ETOT(band)= -1.560105 trlgG= -2.224811 logG= -0.654727 TDE= -4.396980 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038729 tlogG= -0.624820 logG= -0.663549 Density= 3.416781 ETOT(band)= -1.568883 trlgG= -2.241696 logG= -0.663549 TDE= -4.403284 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038609 tlogG= -0.623007 logG= -0.661616 Density= 3.416875 ETOT(band)= -1.567705 trlgG= -2.236154 logG= -0.661616 TDE= -4.399752 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.039039 tlogG= -0.613596 logG= -0.652635 Density= 3.419253 ETOT(band)= -1.558265 trlgG= -2.221300 logG= -0.652635 TDE= -4.395845 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038904 tlogG= -0.616735 logG= -0.655639 Density= 3.418675 ETOT(band)= -1.561291 trlgG= -2.224993 logG= -0.655639 TDE= -4.396056 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038575 tlogG= -0.625781 logG= -0.664356 Density= 3.416449 ETOT(band)= -1.570038 trlgG= -2.241423 logG= -0.664356 TDE= -4.401928 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038766 tlogG= -0.618198 logG= -0.656965 Density= 3.417932 ETOT(band)= -1.563136 trlgG= -2.227221 logG= -0.656965 TDE= -4.396344 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039345 tlogG= -0.609683 logG= -0.649028 Density= 3.420976 ETOT(band)= -1.553583 trlgG= -2.215378 logG= -0.649028 TDE= -4.394955 logGD-logG0= -0.038822 tlogG= -0.622665 logG= -0.661487 Density= 3.418258 ETOT(band)= -1.566244 trlgG= -2.234363 logG= -0.661487 TDE= -4.399234 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.038659 tlogG= -0.627074 logG= -0.665733 Density= 3.416532 ETOT(band)= -1.570746 trlgG= -2.245347 logG= -0.665733 TDE= -4.404544 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=119 logGD-logG0= -0.039125 tlogG= -0.612980 logG= -0.652106 Density= 3.419532 ETOT(band)= -1.557456 trlgG= -2.220789 logG= -0.652106 TDE= -4.396095 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038975 tlogG= -0.617497 logG= -0.656471 Density= 3.419104 ETOT(band)= -1.561455 trlgG= -2.226220 logG= -0.656471 TDE= -4.396806 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038826 tlogG= -0.619623 logG= -0.658449 Density= 3.417612 ETOT(band)= -1.564306 trlgG= -2.230923 logG= -0.658449 TDE= -4.398298 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038710 tlogG= -0.625189 logG= -0.663899 Density= 3.417037 ETOT(band)= -1.568981 trlgG= -2.241271 logG= -0.663899 TDE= -4.402720 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038980 tlogG= -0.617851 logG= -0.656831 Density= 3.419357 ETOT(band)= -1.561646 trlgG= -2.225794 logG= -0.656831 TDE= -4.396230 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038722 tlogG= -0.620462 logG= -0.659185 Density= 3.417556 ETOT(band)= -1.565153 trlgG= -2.231327 logG= -0.659185 TDE= -4.397920 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038865 tlogG= -0.619877 logG= -0.658742 Density= 3.418235 ETOT(band)= -1.564006 trlgG= -2.230458 logG= -0.658742 TDE= -4.398055 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038953 tlogG= -0.614183 logG= -0.653137 Density= 3.418973 ETOT(band)= -1.559042 trlgG= -2.221107 logG= -0.653137 TDE= -4.394920 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038679 tlogG= -0.620688 logG= -0.659367 Density= 3.417188 ETOT(band)= -1.565702 trlgG= -2.231976 logG= -0.659367 TDE= -4.398082 logGD-logG0= -0.038974 tlogG= -0.617125 logG= -0.656099 Density= 3.418875 ETOT(band)= -1.561226 trlgG= -2.226322 logG= -0.656099 TDE= -4.397090 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038847 tlogG= -0.620253 logG= -0.659101 Density= 3.418377 ETOT(band)= -1.564283 trlgG= -2.230337 logG= -0.659101 TDE= -4.397692 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039107 tlogG= -0.611193 logG= -0.650300 Density= 3.419927 ETOT(band)= -1.555829 trlgG= -2.216290 logG= -0.650300 TDE= -4.393727 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038868 tlogG= -0.617414 logG= -0.656282 Density= 3.417940 ETOT(band)= -1.562378 trlgG= -2.227309 logG= -0.656282 TDE= -4.397123 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038880 tlogG= -0.619462 logG= -0.658342 Density= 3.418126 ETOT(band)= -1.563665 trlgG= -2.230251 logG= -0.658342 TDE= -4.398157 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039184 tlogG= -0.612836 logG= -0.652020 Density= 3.420037 ETOT(band)= -1.556875 trlgG= -2.220291 logG= -0.652020 TDE= -4.396099 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038888 tlogG= -0.620268 logG= -0.659156 Density= 3.418712 ETOT(band)= -1.563958 trlgG= -2.229859 logG= -0.659156 TDE= -4.397436 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038729 tlogG= -0.623094 logG= -0.661824 Density= 3.417204 ETOT(band)= -1.567304 trlgG= -2.237081 logG= -0.661824 TDE= -4.400743 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039114 tlogG= -0.613437 logG= -0.652551 Density= 3.419815 ETOT(band)= -1.557641 trlgG= -2.220723 logG= -0.652551 TDE= -4.395817 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038819 tlogG= -0.617820 logG= -0.656639 Density= 3.417934 ETOT(band)= -1.562772 trlgG= -2.227417 logG= -0.656639 TDE= -4.396869 logGD-logG0= -0.038781 tlogG= -0.622638 logG= -0.661419 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 Density= 3.417269 ETOT(band)= -1.566815 trlgG= -2.236998 logG= -0.661419 TDE= -4.401119 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038834 tlogG= -0.620062 logG= -0.658896 Density= 3.418165 ETOT(band)= -1.564117 trlgG= -2.230169 logG= -0.658896 TDE= -4.397553 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039226 tlogG= -0.610475 logG= -0.649702 Density= 3.420438 ETOT(band)= -1.554757 trlgG= -2.216294 logG= -0.649702 TDE= -4.394753 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038657 tlogG= -0.622685 logG= -0.661342 Density= 3.416865 ETOT(band)= -1.567418 trlgG= -2.236251 logG= -0.661342 TDE= -4.400115 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038774 tlogG= -0.620063 logG= -0.658837 Density= 3.417577 ETOT(band)= -1.564759 trlgG= -2.231317 logG= -0.658837 TDE= -4.398274 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038651 tlogG= -0.625320 logG= -0.663971 Density= 3.416607 ETOT(band)= -1.569489 trlgG= -2.241845 logG= -0.663971 TDE= -4.402867 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1021.40194409466 eV TrLogG= -1457.74155253208 eV Ratio to renormalize= 0.999585472555 rho-rho_expected= 0.068010693354 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 44) Finished k-point number 45 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 8) Finished k-point number 9 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 12) Finished k-point number 13 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 107 36) Finished k-point number 37 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800640801167104 0.802607480980280 0.802489742381239 0.800211516790369 0.803139419967101 0.802451465679122 0.800935677878943 0.802470829557692 0.802593162793215 0.800846885144515 0.802672860842829 0.802495251242838 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038719 tlogG= -0.620466 logG= -0.659186 Density= 3.417546 ETOT(band)= -1.565134 trlgG= -2.231309 logG= -0.659186 TDE= -4.397892 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038844 tlogG= -0.620258 logG= -0.659102 Density= 3.418367 ETOT(band)= -1.564264 trlgG= -2.230319 logG= -0.659102 TDE= -4.397665 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038778 tlogG= -0.622643 logG= -0.661420 Density= 3.417259 ETOT(band)= -1.566796 trlgG= -2.236979 logG= -0.661420 TDE= -4.401091 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038751 tlogG= -0.626485 logG= -0.665237 Density= 3.416811 ETOT(band)= -1.569941 trlgG= -2.244975 logG= -0.665237 TDE= -4.404900 logGD-logG0= -0.038708 tlogG= -0.620437 logG= -0.659146 Density= 3.417028 ETOT(band)= -1.565558 trlgG= -2.231928 logG= -0.659146 TDE= -4.398123 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038565 tlogG= -0.627635 logG= -0.666200 Density= 3.416268 ETOT(band)= -1.571447 trlgG= -2.244897 logG= -0.666200 TDE= -4.403410 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038661 tlogG= -0.625639 logG= -0.664300 Density= 3.416995 ETOT(band)= -1.569418 trlgG= -2.240705 logG= -0.664300 TDE= -4.401719 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039036 tlogG= -0.613601 logG= -0.652636 Density= 3.419243 ETOT(band)= -1.558246 trlgG= -2.221279 logG= -0.652636 TDE= -4.395815 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038957 tlogG= -0.616228 logG= -0.655184 Density= 3.418766 ETOT(band)= -1.560690 trlgG= -2.225092 logG= -0.655184 TDE= -4.396686 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038726 tlogG= -0.623099 logG= -0.661825 Density= 3.417193 ETOT(band)= -1.567285 trlgG= -2.237063 logG= -0.661825 TDE= -4.400715 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038677 tlogG= -0.623538 logG= -0.662215 Density= 3.417168 ETOT(band)= -1.567731 trlgG= -2.237016 logG= -0.662215 TDE= -4.400257 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038676 tlogG= -0.620692 logG= -0.659368 Density= 3.417178 ETOT(band)= -1.565683 trlgG= -2.231958 logG= -0.659368 TDE= -4.398055 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038726 tlogG= -0.624825 logG= -0.663550 Density= 3.416771 ETOT(band)= -1.568864 trlgG= -2.241678 logG= -0.663550 TDE= -4.403256 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038971 tlogG= -0.617129 logG= -0.656101 Density= 3.418864 ETOT(band)= -1.561207 trlgG= -2.226302 logG= -0.656101 TDE= -4.397061 logGD-logG0= -0.038901 tlogG= -0.616739 logG= -0.655640 Density= 3.418665 ETOT(band)= -1.561272 trlgG= -2.224973 logG= -0.655640 TDE= -4.396027 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038862 tlogG= -0.619882 logG= -0.658743 Density= 3.418225 ETOT(band)= -1.563987 trlgG= -2.230439 logG= -0.658743 TDE= -4.398027 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038572 tlogG= -0.625786 logG= -0.664358 Density= 3.416438 ETOT(band)= -1.570019 trlgG= -2.241406 logG= -0.664358 TDE= -4.401901 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039043 tlogG= -0.614027 logG= -0.653070 Density= 3.419606 ETOT(band)= -1.558353 trlgG= -2.220446 logG= -0.653070 TDE= -4.394848 logGD-logG0= -0.038656 tlogG= -0.627079 logG= -0.665735 Density= 3.416522 ETOT(band)= -1.570727 trlgG= -2.245329 logG= -0.665735 TDE= -4.404516 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038865 tlogG= -0.617418 logG= -0.656283 Density= 3.417930 ETOT(band)= -1.562359 trlgG= -2.227289 logG= -0.656283 TDE= -4.397093 logGD-logG0= -0.038823 tlogG= -0.619628 logG= -0.658450 Density= 3.417601 ETOT(band)= -1.564287 trlgG= -2.230905 logG= -0.658450 TDE= -4.398270 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038802 tlogG= -0.622388 logG= -0.661190 Density= 3.417922 ETOT(band)= -1.566168 trlgG= -2.234840 logG= -0.661190 TDE= -4.399730 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038790 tlogG= -0.622063 logG= -0.660854 Density= 3.417634 ETOT(band)= -1.566039 trlgG= -2.235158 logG= -0.660854 TDE= -4.400146 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039223 tlogG= -0.610480 logG= -0.649703 Density= 3.420428 ETOT(band)= -1.554738 trlgG= -2.216274 logG= -0.649703 TDE= -4.394723 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038763 tlogG= -0.618202 logG= -0.656966 Density= 3.417922 ETOT(band)= -1.563117 trlgG= -2.227202 logG= -0.656966 TDE= -4.396316 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039111 tlogG= -0.613442 logG= -0.652552 Density= 3.419805 ETOT(band)= -1.557621 trlgG= -2.220702 logG= -0.652552 TDE= -4.395786 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038708 tlogG= -0.622321 logG= -0.661029 Density= 3.416855 ETOT(band)= -1.567053 trlgG= -2.236331 logG= -0.661029 TDE= -4.400499 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038758 tlogG= -0.624721 logG= -0.663480 Density= 3.417085 ETOT(band)= -1.568455 trlgG= -2.241213 logG= -0.663480 TDE= -4.403122 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038950 tlogG= -0.614187 logG= -0.653138 Density= 3.418963 ETOT(band)= -1.559023 trlgG= -2.221087 logG= -0.653138 TDE= -4.394890 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038648 tlogG= -0.625325 logG= -0.663972 Density= 3.416596 ETOT(band)= -1.569470 trlgG= -2.241827 logG= -0.663972 TDE= -4.402839 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038654 tlogG= -0.622689 logG= -0.661343 Density= 3.416854 ETOT(band)= -1.567399 trlgG= -2.236233 logG= -0.661343 TDE= -4.400087 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039122 tlogG= -0.612985 logG= -0.652107 Density= 3.419521 ETOT(band)= -1.557437 trlgG= -2.220769 logG= -0.652107 TDE= -4.396064 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038831 tlogG= -0.620067 logG= -0.658898 Density= 3.418154 ETOT(band)= -1.564097 trlgG= -2.230151 logG= -0.658898 TDE= -4.397525 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038816 tlogG= -0.617824 logG= -0.656640 Density= 3.417924 ETOT(band)= -1.562753 trlgG= -2.227397 logG= -0.656640 TDE= -4.396839 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.038606 tlogG= -0.623012 logG= -0.661617 Density= 3.416865 ETOT(band)= -1.567685 trlgG= -2.236137 logG= -0.661617 TDE= -4.399726 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038707 tlogG= -0.625194 logG= -0.663901 Density= 3.417026 ETOT(band)= -1.568962 trlgG= -2.241253 logG= -0.663901 TDE= -4.402692 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038651 tlogG= -0.620936 logG= -0.659587 Density= 3.417337 ETOT(band)= -1.565791 trlgG= -2.232136 logG= -0.659587 TDE= -4.398145 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038972 tlogG= -0.617501 logG= -0.656473 Density= 3.419094 ETOT(band)= -1.561436 trlgG= -2.226200 logG= -0.656473 TDE= -4.396776 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038947 tlogG= -0.620468 logG= -0.659416 Density= 3.419301 ETOT(band)= -1.563740 trlgG= -2.229527 logG= -0.659416 TDE= -4.397331 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038885 tlogG= -0.620272 logG= -0.659157 Density= 3.418702 ETOT(band)= -1.563939 trlgG= -2.229841 logG= -0.659157 TDE= -4.397409 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038819 tlogG= -0.622669 logG= -0.661488 Density= 3.418248 ETOT(band)= -1.566224 trlgG= -2.234346 logG= -0.661488 TDE= -4.399207 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.038877 tlogG= -0.619466 logG= -0.658343 Density= 3.418115 ETOT(band)= -1.563646 trlgG= -2.230232 logG= -0.658343 TDE= -4.398129 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039017 tlogG= -0.615711 logG= -0.654728 Density= 3.418899 ETOT(band)= -1.560086 trlgG= -2.224790 logG= -0.654728 TDE= -4.396949 logGD-logG0= -0.039342 tlogG= -0.609688 logG= -0.649030 Density= 3.420965 ETOT(band)= -1.553564 trlgG= -2.215358 logG= -0.649030 TDE= -4.394924 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038977 tlogG= -0.617855 logG= -0.656832 Density= 3.419347 ETOT(band)= -1.561626 trlgG= -2.225775 logG= -0.656832 TDE= -4.396201 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039181 tlogG= -0.612840 logG= -0.652021 Density= 3.420026 ETOT(band)= -1.556857 trlgG= -2.220270 logG= -0.652021 TDE= -4.396069 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038771 tlogG= -0.620068 logG= -0.658839 Density= 3.417567 ETOT(band)= -1.564739 trlgG= -2.231299 logG= -0.658839 TDE= -4.398246 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039104 tlogG= -0.611197 logG= -0.650301 Density= 3.419916 ETOT(band)= -1.555810 trlgG= -2.216269 logG= -0.650301 TDE= -4.393697 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Sum of eigenvalues= -1021.38943561920 eV TrLogG= -1457.72382110085 eV Ratio to renormalize= 0.999588471288 rho-rho_expected= 0.067518494569 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 17) Finished k-point number 18 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 41) Finished k-point number 42 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 37) Finished k-point number 38 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 12) Finished k-point number 13 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 27) Finished k-point number 28 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 9) Finished k-point number 10 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800641021528140 0.802612363621876 0.802482528920628 0.800211631389708 0.803146825579452 0.802441822126678 0.800935859744459 0.802475764892920 0.802586006568430 0.800847047215494 0.802677690965423 0.802488135931084 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038655 tlogG= -0.627073 logG= -0.665728 Density= 3.416520 ETOT(band)= -1.570709 trlgG= -2.245304 logG= -0.665728 TDE= -4.404496 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038725 tlogG= -0.624819 logG= -0.663544 Density= 3.416769 ETOT(band)= -1.568846 trlgG= -2.241652 logG= -0.663544 TDE= -4.403235 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038719 tlogG= -0.620460 logG= -0.659179 Density= 3.417544 ETOT(band)= -1.565116 trlgG= -2.231284 logG= -0.659179 TDE= -4.397872 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038706 tlogG= -0.625188 logG= -0.663894 Density= 3.417024 ETOT(band)= -1.568944 trlgG= -2.241228 logG= -0.663894 TDE= -4.402671 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038763 tlogG= -0.618196 logG= -0.656959 Density= 3.417920 ETOT(band)= -1.563098 trlgG= -2.227177 logG= -0.656959 TDE= -4.396296 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038751 tlogG= -0.626479 logG= -0.665230 Density= 3.416808 ETOT(band)= -1.569923 trlgG= -2.244951 logG= -0.665230 TDE= -4.404879 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038564 tlogG= -0.627629 logG= -0.666193 Density= 3.416266 ETOT(band)= -1.571429 trlgG= -2.244872 logG= -0.666193 TDE= -4.403390 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038660 tlogG= -0.625633 logG= -0.664293 Density= 3.416993 ETOT(band)= -1.569400 trlgG= -2.240681 logG= -0.664293 TDE= -4.401699 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038818 tlogG= -0.622663 logG= -0.661482 Density= 3.418246 ETOT(band)= -1.566206 trlgG= -2.234321 logG= -0.661482 TDE= -4.399188 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.039035 tlogG= -0.613594 logG= -0.652630 Density= 3.419241 ETOT(band)= -1.558227 trlgG= -2.221253 logG= -0.652630 TDE= -4.395794 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038708 tlogG= -0.620431 logG= -0.659139 Density= 3.417026 ETOT(band)= -1.565540 trlgG= -2.231903 logG= -0.659139 TDE= -4.398103 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038861 tlogG= -0.619876 logG= -0.658737 Density= 3.418223 ETOT(band)= -1.563969 trlgG= -2.230414 logG= -0.658737 TDE= -4.398006 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038571 tlogG= -0.625780 logG= -0.664351 Density= 3.416436 ETOT(band)= -1.570001 trlgG= -2.241381 logG= -0.664351 TDE= -4.401881 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039111 tlogG= -0.613435 logG= -0.652546 Density= 3.419803 ETOT(band)= -1.557603 trlgG= -2.220677 logG= -0.652546 TDE= -4.395766 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038956 tlogG= -0.616221 logG= -0.655178 Density= 3.418764 ETOT(band)= -1.560672 trlgG= -2.225067 logG= -0.655178 TDE= -4.396665 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039181 tlogG= -0.612834 logG= -0.652015 Density= 3.420024 ETOT(band)= -1.556838 trlgG= -2.220245 logG= -0.652015 TDE= -4.396048 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038901 tlogG= -0.616733 logG= -0.655634 Density= 3.418663 ETOT(band)= -1.561253 trlgG= -2.224948 logG= -0.655634 TDE= -4.396007 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038844 tlogG= -0.620252 logG= -0.659096 Density= 3.418365 ETOT(band)= -1.564245 trlgG= -2.230295 logG= -0.659096 TDE= -4.397645 logGD-logG0= -0.038802 tlogG= -0.622382 logG= -0.661184 Density= 3.417920 ETOT(band)= -1.566150 trlgG= -2.234815 logG= -0.661184 TDE= -4.399710 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038822 tlogG= -0.619621 logG= -0.658443 Density= 3.417599 ETOT(band)= -1.564269 trlgG= -2.230880 logG= -0.658443 TDE= -4.398250 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038707 tlogG= -0.622315 logG= -0.661022 Density= 3.416853 ETOT(band)= -1.567035 trlgG= -2.236305 logG= -0.661022 TDE= -4.400479 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038777 tlogG= -0.622637 logG= -0.661414 Density= 3.417257 ETOT(band)= -1.566777 trlgG= -2.236954 logG= -0.661414 TDE= -4.401070 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038651 tlogG= -0.620930 logG= -0.659580 Density= 3.417335 ETOT(band)= -1.565773 trlgG= -2.232111 logG= -0.659580 TDE= -4.398125 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038950 tlogG= -0.614181 logG= -0.653131 Density= 3.418961 ETOT(band)= -1.559004 trlgG= -2.221062 logG= -0.653131 TDE= -4.394869 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038677 tlogG= -0.623532 logG= -0.662209 Density= 3.417166 ETOT(band)= -1.567713 trlgG= -2.236991 logG= -0.662209 TDE= -4.400237 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038676 tlogG= -0.620686 logG= -0.659361 Density= 3.417176 ETOT(band)= -1.565665 trlgG= -2.231933 logG= -0.659361 TDE= -4.398035 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038971 tlogG= -0.617123 logG= -0.656094 Density= 3.418862 ETOT(band)= -1.561189 trlgG= -2.226277 logG= -0.656094 TDE= -4.397040 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038831 tlogG= -0.620060 logG= -0.658891 Density= 3.418152 ETOT(band)= -1.564079 trlgG= -2.230126 logG= -0.658891 TDE= -4.397505 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038771 tlogG= -0.620061 logG= -0.658832 Density= 3.417565 ETOT(band)= -1.564721 trlgG= -2.231274 logG= -0.658832 TDE= -4.398226 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038726 tlogG= -0.623093 logG= -0.661819 Density= 3.417191 ETOT(band)= -1.567267 trlgG= -2.237038 logG= -0.661819 TDE= -4.400695 logGD-logG0= -0.039017 tlogG= -0.615705 logG= -0.654722 Density= 3.418897 ETOT(band)= -1.560068 trlgG= -2.224765 logG= -0.654722 TDE= -4.396929 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038947 tlogG= -0.620462 logG= -0.659409 Density= 3.419299 ETOT(band)= -1.563721 trlgG= -2.229502 logG= -0.659409 TDE= -4.397312 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038647 tlogG= -0.625318 logG= -0.663966 logGD-logG0= -0.038815 tlogG= -0.617818 logG= -0.656633 Density= 3.417922 ETOT(band)= -1.562735 trlgG= -2.227372 logG= -0.656633 TDE= -4.396819 Density= 3.416594 ETOT(band)= -1.569452 trlgG= -2.241802 logG= -0.663966 TDE= -4.402818 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.039103 tlogG= -0.611191 logG= -0.650294 Density= 3.419914 ETOT(band)= -1.555791 trlgG= -2.216243 logG= -0.650294 TDE= -4.393676 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038885 tlogG= -0.620266 logG= -0.659151 Density= 3.418700 ETOT(band)= -1.563921 trlgG= -2.229816 logG= -0.659151 TDE= -4.397389 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039122 tlogG= -0.612978 logG= -0.652100 Density= 3.419519 ETOT(band)= -1.557418 trlgG= -2.220743 logG= -0.652100 TDE= -4.396043 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038758 tlogG= -0.624715 logG= -0.663473 Density= 3.417083 ETOT(band)= -1.568437 trlgG= -2.241188 logG= -0.663473 TDE= -4.403101 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038971 tlogG= -0.617495 logG= -0.656466 Density= 3.419092 ETOT(band)= -1.561417 trlgG= -2.226174 logG= -0.656466 TDE= -4.396755 logGD-logG0= -0.039223 tlogG= -0.610473 logG= -0.649696 Density= 3.420426 ETOT(band)= -1.554720 trlgG= -2.216248 logG= -0.649696 TDE= -4.394702 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038865 tlogG= -0.617412 logG= -0.656276 Density= 3.417928 ETOT(band)= -1.562340 trlgG= -2.227264 logG= -0.656276 TDE= -4.397072 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038605 tlogG= -0.623005 logG= -0.661611 Density= 3.416863 ETOT(band)= -1.567667 trlgG= -2.236112 logG= -0.661611 TDE= -4.399706 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038790 tlogG= -0.622057 logG= -0.660847 Density= 3.417631 ETOT(band)= -1.566021 trlgG= -2.235133 logG= -0.660847 TDE= -4.400126 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039341 tlogG= -0.609682 logG= -0.649023 Density= 3.420963 ETOT(band)= -1.553546 trlgG= -2.215333 logG= -0.649023 TDE= -4.394904 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038976 tlogG= -0.617849 logG= -0.656825 Density= 3.419345 ETOT(band)= -1.561608 trlgG= -2.225751 logG= -0.656825 TDE= -4.396182 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038877 tlogG= -0.619460 logG= -0.658337 Density= 3.418113 ETOT(band)= -1.563628 trlgG= -2.230207 logG= -0.658337 TDE= -4.398108 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039043 tlogG= -0.614020 logG= -0.653063 Density= 3.419604 ETOT(band)= -1.558335 trlgG= -2.220420 logG= -0.653063 TDE= -4.394827 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038653 tlogG= -0.622683 logG= -0.661337 Density= 3.416852 ETOT(band)= -1.567381 trlgG= -2.236207 logG= -0.661337 TDE= -4.400066 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1021.37751128271 eV TrLogG= -1457.70626892913 eV Ratio to renormalize= 0.999589086412 rho-rho_expected= 0.067417531151 nargs= 1 argi=dmft2.def 31) Finished k-point number 32 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 19) Finished k-point number 20 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 25) Finished k-point number 26 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 47) Finished k-point number 48 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800642140520121 0.802614551249973 0.802481850643533 0.800212734522431 0.803149742093587 0.802440401180042 0.800936963972190 0.802477931422452 0.802585328052554 0.800848139618850 0.802679851359392 0.802487470131258 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038293 tlogG= -0.623534 logG= -0.661828 Density= 3.416701 ETOT(band)= -1.568125 trlgG= -2.236993 logG= -0.661828 TDE= -4.400236 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038462 tlogG= -0.620254 logG= -0.658715 Density= 3.417904 ETOT(band)= -1.564654 trlgG= -2.230294 logG= -0.658715 TDE= -4.397644 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038335 tlogG= -0.620463 logG= -0.658797 Density= 3.417072 ETOT(band)= -1.565532 trlgG= -2.231291 logG= -0.658797 TDE= -4.397871 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038719 tlogG= -0.611194 logG= -0.649912 Density= 3.419433 ETOT(band)= -1.556214 trlgG= -2.216258 logG= -0.649912 TDE= -4.393675 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038278 tlogG= -0.625635 logG= -0.663913 Density= 3.416533 ETOT(band)= -1.569808 trlgG= -2.240679 logG= -0.663913 TDE= -4.401698 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038291 tlogG= -0.620688 logG= -0.658979 Density= 3.416698 ETOT(band)= -1.566085 trlgG= -2.231944 logG= -0.658979 TDE= -4.398033 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038631 tlogG= -0.615708 logG= -0.654339 Density= 3.418395 ETOT(band)= -1.560506 trlgG= -2.224795 logG= -0.654339 TDE= -4.396928 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038572 tlogG= -0.616224 logG= -0.654795 Density= 3.418277 ETOT(band)= -1.561100 trlgG= -2.225086 logG= -0.654795 TDE= -4.396664 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038419 tlogG= -0.622384 logG= -0.660803 Density= 3.417453 ETOT(band)= -1.566563 trlgG= -2.234819 logG= -0.660803 TDE= -4.399708 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038323 tlogG= -0.625190 logG= -0.663513 Density= 3.416553 ETOT(band)= -1.569361 trlgG= -2.241234 logG= -0.663513 TDE= -4.402670 logGD-logG0= -0.038323 tlogG= -0.622317 logG= -0.660640 Density= 3.416369 ETOT(band)= -1.567460 trlgG= -2.236321 logG= -0.660640 TDE= -4.400478 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038266 tlogG= -0.620932 logG= -0.659198 Density= 3.416863 ETOT(band)= -1.566188 trlgG= -2.232118 logG= -0.659198 TDE= -4.398124 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038478 tlogG= -0.619878 logG= -0.658355 Density= 3.417748 ETOT(band)= -1.564388 trlgG= -2.230425 logG= -0.658355 TDE= -4.398005 logGD-logG0= -0.038430 tlogG= -0.617820 logG= -0.656250 Density= 3.417437 ETOT(band)= -1.563161 trlgG= -2.227389 logG= -0.656250 TDE= -4.396817 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038181 tlogG= -0.627631 logG= -0.665812 Density= 3.415800 ETOT(band)= -1.571841 trlgG= -2.244875 logG= -0.665812 TDE= -4.403388 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038378 tlogG= -0.618199 logG= -0.656577 Density= 3.417444 ETOT(band)= -1.563517 trlgG= -2.227187 logG= -0.656577 TDE= -4.396295 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038517 tlogG= -0.616735 logG= -0.655252 Density= 3.418191 ETOT(band)= -1.561670 trlgG= -2.224956 logG= -0.655252 TDE= -4.396006 logGD-logG0= -0.038565 tlogG= -0.614184 logG= -0.652749 Density= 3.418481 ETOT(band)= -1.559426 trlgG= -2.221075 logG= -0.652749 TDE= -4.394868 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038437 tlogG= -0.622665 logG= -0.661102 Density= 3.417793 ETOT(band)= -1.566610 trlgG= -2.234315 logG= -0.661102 TDE= -4.399186 logGD-logG0= -0.038492 tlogG= -0.619462 logG= -0.657954 Density= 3.417624 ETOT(band)= -1.564058 trlgG= -2.230228 logG= -0.657954 TDE= -4.398107 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038367 tlogG= -0.626481 logG= -0.664848 Density= 3.416327 ETOT(band)= -1.570348 trlgG= -2.244965 logG= -0.664848 TDE= -4.404878 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038323 tlogG= -0.620433 logG= -0.658756 Density= 3.416543 ETOT(band)= -1.565965 trlgG= -2.231919 logG= -0.658756 TDE= -4.398102 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038447 tlogG= -0.620063 logG= -0.658509 Density= 3.417671 ETOT(band)= -1.564503 trlgG= -2.230141 logG= -0.658509 TDE= -4.397504 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038795 tlogG= -0.612837 logG= -0.651631 Density= 3.419514 ETOT(band)= -1.557283 trlgG= -2.220283 logG= -0.651631 TDE= -4.396047 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038374 tlogG= -0.624717 logG= -0.663091 Density= 3.416602 ETOT(band)= -1.568861 trlgG= -2.241202 logG= -0.663091 TDE= -4.403100 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038341 tlogG= -0.624821 logG= -0.663162 Density= 3.416286 ETOT(band)= -1.569271 trlgG= -2.241668 logG= -0.663162 TDE= -4.403234 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038503 tlogG= -0.620268 logG= -0.658771 Density= 3.418236 ETOT(band)= -1.564332 trlgG= -2.229819 logG= -0.658771 TDE= -4.397387 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038406 tlogG= -0.622059 logG= -0.660465 Density= 3.417150 ETOT(band)= -1.566444 trlgG= -2.235148 logG= -0.660465 TDE= -4.400124 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038588 tlogG= -0.617497 logG= -0.656085 Density= 3.418617 ETOT(band)= -1.561836 trlgG= -2.226185 logG= -0.656085 TDE= -4.396754 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038659 tlogG= -0.614023 logG= -0.652682 Density= 3.419132 ETOT(band)= -1.558751 trlgG= -2.220428 logG= -0.652682 TDE= -4.394826 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038650 tlogG= -0.613597 logG= -0.652247 Density= 3.418745 ETOT(band)= -1.558661 trlgG= -2.221279 logG= -0.652247 TDE= -4.395793 logGD-logG0= -0.038342 tlogG= -0.623095 logG= -0.661437 Density= 3.416716 ETOT(band)= -1.567686 trlgG= -2.237048 logG= -0.661437 TDE= -4.400693 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038263 tlogG= -0.625321 logG= -0.663584 Density= 3.416119 ETOT(band)= -1.569871 trlgG= -2.241812 logG= -0.663584 TDE= -4.402817 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038272 tlogG= -0.627075 logG= -0.665347 Density= 3.416046 ETOT(band)= -1.571127 trlgG= -2.245312 logG= -0.665347 TDE= -4.404495 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038188 tlogG= -0.625782 logG= -0.663969 Density= 3.415968 ETOT(band)= -1.570415 trlgG= -2.241385 logG= -0.663969 TDE= -4.401880 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038386 tlogG= -0.620064 logG= -0.658450 Density= 3.417083 ETOT(band)= -1.565144 trlgG= -2.231289 logG= -0.658450 TDE= -4.398225 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038479 tlogG= -0.617414 logG= -0.655893 Density= 3.417434 ETOT(band)= -1.562774 trlgG= -2.227288 logG= -0.655893 TDE= -4.397071 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038594 tlogG= -0.617851 logG= -0.656446 Density= 3.418888 ETOT(band)= -1.562015 trlgG= -2.225748 logG= -0.656446 TDE= -4.396180 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038437 tlogG= -0.619624 logG= -0.658061 Density= 3.417108 ETOT(band)= -1.564699 trlgG= -2.230902 logG= -0.658061 TDE= -4.398248 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038393 tlogG= -0.622639 logG= -0.661032 Density= 3.416772 ETOT(band)= -1.567204 trlgG= -2.236972 logG= -0.661032 TDE= -4.401069 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038566 tlogG= -0.620464 logG= -0.659030 Density= 3.418852 ETOT(band)= -1.564121 trlgG= -2.229492 logG= -0.659030 TDE= -4.397310 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038837 tlogG= -0.610476 logG= -0.649313 Density= 3.419924 ETOT(band)= -1.555158 trlgG= -2.216279 logG= -0.649313 TDE= -4.394701 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038586 tlogG= -0.617126 logG= -0.655712 Density= 3.418369 ETOT(band)= -1.561621 trlgG= -2.226301 logG= -0.655712 TDE= -4.397039 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038736 tlogG= -0.612981 logG= -0.651716 Density= 3.419008 ETOT(band)= -1.557864 trlgG= -2.220781 logG= -0.651716 TDE= -4.396042 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038269 tlogG= -0.622686 logG= -0.660954 Density= 3.416375 ETOT(band)= -1.567801 trlgG= -2.236218 logG= -0.660954 TDE= -4.400065 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038221 tlogG= -0.623008 logG= -0.661228 Density= 3.416392 ETOT(band)= -1.568082 trlgG= -2.236118 logG= -0.661228 TDE= -4.399705 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038726 tlogG= -0.613438 logG= -0.652164 Density= 3.419312 ETOT(band)= -1.558033 trlgG= -2.220699 logG= -0.652164 TDE= -4.395765 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038955 tlogG= -0.609684 logG= -0.648639 Density= 3.420439 ETOT(band)= -1.554000 trlgG= -2.215381 logG= -0.648639 TDE= -4.394903 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 Sum of eigenvalues= -1021.65329262602 eV TrLogG= -1457.45605207941 eV Ratio to renormalize= 0.999729373396 rho-rho_expected= 0.044394777387 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 21) Finished k-point number 22 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 47) Finished k-point number 48 1 with #bands= 104 27) Finished k-point number 28 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800629867157719 0.802596098094423 0.802473658229252 0.800200532998201 0.803129914425857 0.802433606953924 0.800924729492199 0.802459436492480 0.802577128825954 0.800835984826818 0.802661441351504 0.802479210200579 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038417 tlogG= -0.622399 logG= -0.660816 Density= 3.417446 ETOT(band)= -1.566561 trlgG= -2.234831 logG= -0.660816 TDE= -4.399701 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038477 tlogG= -0.617430 logG= -0.655906 Density= 3.417426 ETOT(band)= -1.562773 trlgG= -2.227299 logG= -0.655906 TDE= -4.397062 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038276 tlogG= -0.625650 logG= -0.663926 Density= 3.416525 ETOT(band)= -1.569807 trlgG= -2.240691 logG= -0.663926 TDE= -4.401691 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038391 tlogG= -0.622654 logG= -0.661045 Density= 3.416764 ETOT(band)= -1.567203 trlgG= -2.236984 logG= -0.661045 TDE= -4.401061 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038179 tlogG= -0.627646 logG= -0.665825 Density= 3.415793 ETOT(band)= -1.571839 trlgG= -2.244886 logG= -0.665825 TDE= -4.403381 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038629 tlogG= -0.615723 logG= -0.654352 Density= 3.418387 ETOT(band)= -1.560506 trlgG= -2.224805 logG= -0.654352 TDE= -4.396918 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=118 logGD-logG0= -0.038291 tlogG= -0.623549 logG= -0.661841 Density= 3.416693 ETOT(band)= -1.568123 trlgG= -2.237006 logG= -0.661841 TDE= -4.400229 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038365 tlogG= -0.626497 logG= -0.664862 Density= 3.416320 ETOT(band)= -1.570347 trlgG= -2.244977 logG= -0.664862 TDE= -4.404871 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038264 tlogG= -0.620947 logG= -0.659211 Density= 3.416856 ETOT(band)= -1.566186 trlgG= -2.232131 logG= -0.659211 TDE= -4.398118 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038261 tlogG= -0.625336 logG= -0.663597 Density= 3.416112 ETOT(band)= -1.569870 trlgG= -2.241823 logG= -0.663597 TDE= -4.402809 logGD-logG0= -0.038563 tlogG= -0.614199 logG= -0.652762 Density= 3.418473 ETOT(band)= -1.559425 trlgG= -2.221086 logG= -0.652762 TDE= -4.394859 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038321 tlogG= -0.620449 logG= -0.658770 Density= 3.416535 ETOT(band)= -1.565964 trlgG= -2.231932 logG= -0.658770 TDE= -4.398095 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038459 tlogG= -0.620269 logG= -0.658728 Density= 3.417896 ETOT(band)= -1.564653 trlgG= -2.230306 logG= -0.658728 TDE= -4.397636 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038376 tlogG= -0.618214 logG= -0.656590 Density= 3.417436 ETOT(band)= -1.563516 trlgG= -2.227198 logG= -0.656590 TDE= -4.396286 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038490 tlogG= -0.619478 logG= -0.657968 Density= 3.417616 ETOT(band)= -1.564056 trlgG= -2.230240 logG= -0.657968 TDE= -4.398099 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038648 tlogG= -0.613612 logG= -0.652260 Density= 3.418738 ETOT(band)= -1.558660 trlgG= -2.221289 logG= -0.652260 TDE= -4.395783 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038339 tlogG= -0.624836 logG= -0.663175 Density= 3.416279 ETOT(band)= -1.569270 trlgG= -2.241680 logG= -0.663175 TDE= -4.403226 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038185 tlogG= -0.625797 logG= -0.663982 Density= 3.415961 ETOT(band)= -1.570413 trlgG= -2.241397 logG= -0.663982 TDE= -4.401873 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038435 tlogG= -0.622680 logG= -0.661115 Density= 3.417786 ETOT(band)= -1.566608 trlgG= -2.234327 logG= -0.661115 TDE= -4.399180 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038515 tlogG= -0.616751 logG= -0.655265 Density= 3.418183 ETOT(band)= -1.561669 trlgG= -2.224966 logG= -0.655265 TDE= -4.395997 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038332 tlogG= -0.620478 logG= -0.658810 Density= 3.417064 ETOT(band)= -1.565531 trlgG= -2.231303 logG= -0.658810 TDE= -4.397864 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038320 tlogG= -0.622333 logG= -0.660653 Density= 3.416362 ETOT(band)= -1.567459 trlgG= -2.236333 logG= -0.660653 TDE= -4.400470 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038340 tlogG= -0.623110 logG= -0.661450 Density= 3.416709 ETOT(band)= -1.567685 trlgG= -2.237059 logG= -0.661450 TDE= -4.400686 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038269 tlogG= -0.627090 logG= -0.665360 Density= 3.416039 ETOT(band)= -1.571126 trlgG= -2.245324 logG= -0.665360 TDE= -4.404487 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038733 tlogG= -0.612997 logG= -0.651730 Density= 3.419000 ETOT(band)= -1.557863 trlgG= -2.220791 logG= -0.651730 TDE= -4.396033 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038289 tlogG= -0.620704 logG= -0.658992 Density= 3.416691 ETOT(band)= -1.566084 trlgG= -2.231957 logG= -0.658992 TDE= -4.398027 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038792 tlogG= -0.612852 logG= -0.651645 Density= 3.419506 ETOT(band)= -1.557283 trlgG= -2.220293 logG= -0.651645 TDE= -4.396037 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038404 tlogG= -0.622075 logG= -0.660478 Density= 3.417143 ETOT(band)= -1.566443 trlgG= -2.235159 logG= -0.660478 TDE= -4.400117 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038475 tlogG= -0.619893 logG= -0.658369 logGD-logG0= -0.038267 tlogG= -0.622701 logG= -0.660968 Density= 3.416368 ETOT(band)= -1.567799 trlgG= -2.236230 logG= -0.660968 TDE= -4.400057 Density= 3.417741 ETOT(band)= -1.564387 trlgG= -2.230436 logG= -0.658369 TDE= -4.397998 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038717 tlogG= -0.611209 logG= -0.649926 Density= 3.419425 ETOT(band)= -1.556214 trlgG= -2.216269 logG= -0.649926 TDE= -4.393665 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038835 tlogG= -0.610492 logG= -0.649327 Density= 3.419916 ETOT(band)= -1.555157 trlgG= -2.216289 logG= -0.649327 TDE= -4.394691 logGD-logG0= -0.038435 tlogG= -0.619639 logG= -0.658074 Density= 3.417101 ETOT(band)= -1.564698 trlgG= -2.230914 logG= -0.658074 TDE= -4.398241 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038321 tlogG= -0.625205 logG= -0.663526 Density= 3.416546 ETOT(band)= -1.569359 trlgG= -2.241246 logG= -0.663526 TDE= -4.402662 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038428 tlogG= -0.617836 logG= -0.656264 Density= 3.417429 ETOT(band)= -1.563160 trlgG= -2.227400 logG= -0.656264 TDE= -4.396809 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038569 tlogG= -0.616239 logG= -0.654809 Density= 3.418270 ETOT(band)= -1.561099 trlgG= -2.225096 logG= -0.654809 TDE= -4.396654 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038444 tlogG= -0.620078 logG= -0.658522 Density= 3.417663 ETOT(band)= -1.564502 trlgG= -2.230153 logG= -0.658522 TDE= -4.397497 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038372 tlogG= -0.624733 logG= -0.663105 Density= 3.416595 ETOT(band)= -1.568860 trlgG= -2.241214 logG= -0.663105 TDE= -4.403092 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038584 tlogG= -0.617141 logG= -0.655725 Density= 3.418362 ETOT(band)= -1.561620 trlgG= -2.226311 logG= -0.655725 TDE= -4.397030 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038384 tlogG= -0.620079 logG= -0.658463 Density= 3.417076 ETOT(band)= -1.565143 trlgG= -2.231301 logG= -0.658463 TDE= -4.398218 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038564 tlogG= -0.620479 logG= -0.659043 Density= 3.418845 ETOT(band)= -1.564119 trlgG= -2.229505 logG= -0.659043 TDE= -4.397304 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038657 tlogG= -0.614038 logG= -0.652695 Density= 3.419125 ETOT(band)= -1.558750 trlgG= -2.220438 logG= -0.652695 TDE= -4.394817 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038500 tlogG= -0.620283 logG= -0.658784 Density= 3.418228 ETOT(band)= -1.564331 trlgG= -2.229831 logG= -0.658784 TDE= -4.397381 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038586 tlogG= -0.617513 logG= -0.656098 Density= 3.418609 ETOT(band)= -1.561835 trlgG= -2.226195 logG= -0.656098 TDE= -4.396746 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038219 tlogG= -0.623023 logG= -0.661241 Density= 3.416385 ETOT(band)= -1.568080 trlgG= -2.236131 logG= -0.661241 TDE= -4.399698 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038952 tlogG= -0.609700 logG= -0.648652 Density= 3.420430 ETOT(band)= -1.554000 trlgG= -2.215391 logG= -0.648652 TDE= -4.394893 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038592 tlogG= -0.617866 logG= -0.656459 Density= 3.418880 ETOT(band)= -1.562013 trlgG= -2.225759 logG= -0.656459 TDE= -4.396172 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038724 tlogG= -0.613453 logG= -0.652177 Density= 3.419304 ETOT(band)= -1.558033 trlgG= -2.220709 logG= -0.652177 TDE= -4.395755 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 Sum of eigenvalues= -1021.65253028971 eV TrLogG= -1457.45942360159 eV Ratio to renormalize= 0.999731551895 rho-rho_expected= 0.044037311033 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 8) Finished k-point number 9 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 20) Finished k-point number 21 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 3) Finished k-point number 4 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 2) Finished k-point number 3 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 45) Finished k-point number 46 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800701493500373 0.802675600019011 0.802534858012010 0.800272188816821 0.803207429095594 0.802496293316926 0.800996122774466 0.802538999734874 0.802638285736519 0.800907121440970 0.802740900898897 0.802540472655421 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038380 tlogG= -0.626447 logG= -0.664827 Density= 3.416368 ETOT(band)= -1.570391 trlgG= -2.244989 logG= -0.664827 TDE= -4.404957 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038391 tlogG= -0.618166 logG= -0.656556 Density= 3.417484 ETOT(band)= -1.563562 trlgG= -2.227214 logG= -0.656556 TDE= -4.396375 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038347 tlogG= -0.620429 logG= -0.658777 Density= 3.417112 ETOT(band)= -1.565577 trlgG= -2.231313 logG= -0.658777 TDE= -4.397946 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038663 tlogG= -0.613563 logG= -0.652226 Density= 3.418787 ETOT(band)= -1.558704 trlgG= -2.221313 logG= -0.652226 TDE= -4.395883 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038194 tlogG= -0.627597 logG= -0.665791 Density= 3.415840 ETOT(band)= -1.571885 trlgG= -2.244898 logG= -0.665791 TDE= -4.403466 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=126 logGD-logG0= -0.038279 tlogG= -0.620899 logG= -0.659178 Density= 3.416902 ETOT(band)= -1.566234 trlgG= -2.232136 logG= -0.659178 TDE= -4.398195 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038354 tlogG= -0.624787 logG= -0.663140 Density= 3.416327 ETOT(band)= -1.569315 trlgG= -2.241692 logG= -0.663140 TDE= -4.403313 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038443 tlogG= -0.617787 logG= -0.656230 Density= 3.417477 ETOT(band)= -1.563205 trlgG= -2.227420 logG= -0.656230 TDE= -4.396902 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038336 tlogG= -0.625156 logG= -0.663492 Density= 3.416594 ETOT(band)= -1.569405 trlgG= -2.241259 logG= -0.663492 TDE= -4.402749 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038303 tlogG= -0.620655 logG= -0.658959 Density= 3.416738 ETOT(band)= -1.566130 trlgG= -2.231966 logG= -0.658959 TDE= -4.398108 logGD-logG0= -0.038515 tlogG= -0.620235 logG= -0.658750 Density= 3.418275 ETOT(band)= -1.564378 trlgG= -2.229841 logG= -0.658750 TDE= -4.397462 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038335 tlogG= -0.622284 logG= -0.660619 Density= 3.416410 ETOT(band)= -1.567505 trlgG= -2.236346 logG= -0.660619 TDE= -4.400557 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038578 tlogG= -0.614150 logG= -0.652728 Density= 3.418522 ETOT(band)= -1.559470 trlgG= -2.221106 logG= -0.652728 TDE= -4.394954 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038807 tlogG= -0.612803 logG= -0.651610 Density= 3.419556 ETOT(band)= -1.557326 trlgG= -2.220315 logG= -0.651610 TDE= -4.396136 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038449 tlogG= -0.622632 logG= -0.661082 Density= 3.417832 ETOT(band)= -1.566655 trlgG= -2.234336 logG= -0.661082 TDE= -4.399260 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038335 tlogG= -0.620400 logG= -0.658736 Density= 3.416583 ETOT(band)= -1.566010 trlgG= -2.231940 logG= -0.658736 TDE= -4.398177 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038530 tlogG= -0.616702 logG= -0.655232 Density= 3.418231 ETOT(band)= -1.561714 trlgG= -2.224986 logG= -0.655232 TDE= -4.396090 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038284 tlogG= -0.627041 logG= -0.665325 Density= 3.416087 ETOT(band)= -1.571170 trlgG= -2.245336 logG= -0.665325 TDE= -4.404573 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038492 tlogG= -0.617380 logG= -0.655872 Density= 3.417475 ETOT(band)= -1.562817 trlgG= -2.227319 logG= -0.655872 TDE= -4.397157 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038474 tlogG= -0.620221 logG= -0.658695 Density= 3.417943 ETOT(band)= -1.564699 trlgG= -2.230318 logG= -0.658695 TDE= -4.397721 logGD-logG0= -0.038306 tlogG= -0.623501 logG= -0.661807 Density= 3.416740 ETOT(band)= -1.568170 trlgG= -2.237014 logG= -0.661807 TDE= -4.400310 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038290 tlogG= -0.625602 logG= -0.663892 Density= 3.416572 ETOT(band)= -1.569853 trlgG= -2.240701 logG= -0.663892 TDE= -4.401773 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038578 tlogG= -0.620432 logG= -0.659010 Density= 3.418890 ETOT(band)= -1.564168 trlgG= -2.229512 logG= -0.659010 TDE= -4.397382 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038399 tlogG= -0.620030 logG= -0.658429 Density= 3.417123 ETOT(band)= -1.565189 trlgG= -2.231311 logG= -0.658429 TDE= -4.398301 logGD-logG0= -0.038968 tlogG= -0.609650 logG= -0.648617 Density= 3.420482 ETOT(band)= -1.554042 trlgG= -2.215412 logG= -0.648617 TDE= -4.394992 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038490 tlogG= -0.619844 logG= -0.658335 Density= 3.417788 ETOT(band)= -1.564433 trlgG= -2.230450 logG= -0.658335 TDE= -4.398084 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038739 tlogG= -0.613404 logG= -0.652143 Density= 3.419354 ETOT(band)= -1.558077 trlgG= -2.220733 logG= -0.652143 TDE= -4.395854 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038281 tlogG= -0.622652 logG= -0.660934 Density= 3.416415 ETOT(band)= -1.567845 trlgG= -2.236243 logG= -0.660934 TDE= -4.400143 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038432 tlogG= -0.622351 logG= -0.660782 Density= 3.417492 ETOT(band)= -1.566608 trlgG= -2.234845 logG= -0.660782 TDE= -4.399787 logGD-logG0= -0.038450 tlogG= -0.619590 logG= -0.658040 Density= 3.417149 ETOT(band)= -1.564743 trlgG= -2.230924 logG= -0.658040 TDE= -4.398326 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038672 tlogG= -0.613990 logG= -0.652662 Density= 3.419174 ETOT(band)= -1.558795 trlgG= -2.220460 logG= -0.652662 TDE= -4.394913 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038505 tlogG= -0.619429 logG= -0.657934 Density= 3.417665 ETOT(band)= -1.564101 trlgG= -2.230255 logG= -0.657934 TDE= -4.398188 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038355 tlogG= -0.623061 logG= -0.661416 Density= 3.416756 ETOT(band)= -1.567731 trlgG= -2.237071 logG= -0.661416 TDE= -4.400771 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038406 tlogG= -0.622605 logG= -0.661011 Density= 3.416812 ETOT(band)= -1.567248 trlgG= -2.236996 logG= -0.661011 TDE= -4.401148 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038732 tlogG= -0.611160 logG= -0.649891 Density= 3.419476 ETOT(band)= -1.556257 trlgG= -2.216291 logG= -0.649891 TDE= -4.393764 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038644 tlogG= -0.615674 logG= -0.654317 Density= 3.418437 ETOT(band)= -1.560549 trlgG= -2.224829 logG= -0.654317 TDE= -4.397017 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038419 tlogG= -0.622026 logG= -0.660444 Density= 3.417191 ETOT(band)= -1.566489 trlgG= -2.235173 logG= -0.660444 TDE= -4.400203 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038584 tlogG= -0.616190 logG= -0.654775 Density= 3.418318 ETOT(band)= -1.561143 trlgG= -2.225120 logG= -0.654775 TDE= -4.396753 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038459 tlogG= -0.620030 logG= -0.658489 Density= 3.417711 ETOT(band)= -1.564548 trlgG= -2.230164 logG= -0.658489 TDE= -4.397580 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038850 tlogG= -0.610442 logG= -0.649292 Density= 3.419967 ETOT(band)= -1.555200 trlgG= -2.216311 logG= -0.649292 TDE= -4.394790 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038200 tlogG= -0.625749 logG= -0.663949 Density= 3.416008 ETOT(band)= -1.570459 trlgG= -2.241406 logG= -0.663949 TDE= -4.401954 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038600 tlogG= -0.617464 logG= -0.656065 Density= 3.418657 ETOT(band)= -1.561882 trlgG= -2.226216 logG= -0.656065 TDE= -4.396839 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038748 tlogG= -0.612947 logG= -0.651695 Density= 3.419050 ETOT(band)= -1.557906 trlgG= -2.220814 logG= -0.651695 TDE= -4.396131 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038599 tlogG= -0.617092 logG= -0.655691 Density= 3.418410 ETOT(band)= -1.561665 trlgG= -2.226331 logG= -0.655691 TDE= -4.397124 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038276 tlogG= -0.625287 logG= -0.663563 Density= 3.416159 ETOT(band)= -1.569915 trlgG= -2.241836 logG= -0.663563 TDE= -4.402896 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038607 tlogG= -0.617819 logG= -0.656426 Density= 3.418927 ETOT(band)= -1.562060 trlgG= -2.225776 logG= -0.656426 TDE= -4.396261 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038387 tlogG= -0.624683 logG= -0.663070 Density= 3.416643 ETOT(band)= -1.568904 trlgG= -2.241226 logG= -0.663070 TDE= -4.403179 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038233 tlogG= -0.622975 logG= -0.661208 Density= 3.416432 ETOT(band)= -1.568127 trlgG= -2.236136 logG= -0.661208 TDE= -4.399776 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 Sum of eigenvalues= -1021.68214485016 eV TrLogG= -1457.49500732642 eV Ratio to renormalize= 0.999717508561 rho-rho_expected= 0.046341687139 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 33) Finished k-point number 34 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 25) Finished k-point number 26 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800695358131813 0.802669027837721 0.802529046819358 0.800266067864032 0.803200747954074 0.802490618697142 0.800990005947089 0.802532426056828 0.802632479442928 0.800901027786242 0.802734304294632 0.802534674533990 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038378 tlogG= -0.626452 logG= -0.664830 Density= 3.416364 ETOT(band)= -1.570387 trlgG= -2.244988 logG= -0.664830 TDE= -4.404949 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038577 tlogG= -0.614155 logG= -0.652732 Density= 3.418518 ETOT(band)= -1.559466 trlgG= -2.221105 logG= -0.652732 TDE= -4.394946 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038334 tlogG= -0.622288 logG= -0.660622 Density= 3.416406 ETOT(band)= -1.567501 trlgG= -2.236346 logG= -0.660622 TDE= -4.400549 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038448 tlogG= -0.622637 logG= -0.661085 Density= 3.417828 ETOT(band)= -1.566651 trlgG= -2.234336 logG= -0.661085 TDE= -4.399253 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038352 tlogG= -0.624792 logG= -0.663144 Density= 3.416323 ETOT(band)= -1.569311 trlgG= -2.241691 logG= -0.663144 TDE= -4.403305 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038661 tlogG= -0.613568 logG= -0.652229 Density= 3.418783 ETOT(band)= -1.558700 trlgG= -2.221311 logG= -0.652229 TDE= -4.395874 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038346 tlogG= -0.620434 logG= -0.658780 Density= 3.417108 ETOT(band)= -1.565573 trlgG= -2.231313 logG= -0.658780 TDE= -4.397939 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038583 tlogG= -0.616195 logG= -0.654778 Density= 3.418314 ETOT(band)= -1.561139 trlgG= -2.225118 logG= -0.654778 TDE= -4.396744 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038489 tlogG= -0.619849 logG= -0.658338 Density= 3.417784 ETOT(band)= -1.564429 trlgG= -2.230449 logG= -0.658338 TDE= -4.398077 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038404 tlogG= -0.622610 logG= -0.661014 Density= 3.416808 ETOT(band)= -1.567244 trlgG= -2.236995 logG= -0.661014 TDE= -4.401140 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038283 tlogG= -0.627046 logG= -0.665329 Density= 3.416082 ETOT(band)= -1.571167 trlgG= -2.245336 logG= -0.665329 TDE= -4.404566 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038514 tlogG= -0.620240 logG= -0.658754 Density= 3.418271 ETOT(band)= -1.564374 trlgG= -2.229841 logG= -0.658754 TDE= -4.397455 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038289 tlogG= -0.625606 logG= -0.663896 Density= 3.416568 ETOT(band)= -1.569849 trlgG= -2.240701 logG= -0.663896 TDE= -4.401766 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038528 tlogG= -0.616707 logG= -0.655235 Density= 3.418227 ETOT(band)= -1.561710 trlgG= -2.224985 logG= -0.655235 TDE= -4.396082 logGD-logG0= -0.038353 tlogG= -0.623066 logG= -0.661419 Density= 3.416752 ETOT(band)= -1.567727 trlgG= -2.237071 logG= -0.661419 TDE= -4.400764 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038192 tlogG= -0.627602 logG= -0.665794 Density= 3.415836 ETOT(band)= -1.571881 trlgG= -2.244898 logG= -0.665794 TDE= -4.403459 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038606 tlogG= -0.617823 logG= -0.656429 Density= 3.418923 ETOT(band)= -1.562056 trlgG= -2.225775 logG= -0.656429 TDE= -4.396253 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038334 tlogG= -0.620405 logG= -0.658739 Density= 3.416579 ETOT(band)= -1.566006 trlgG= -2.231940 logG= -0.658739 TDE= -4.398170 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038305 tlogG= -0.623506 logG= -0.661810 Density= 3.416736 ETOT(band)= -1.568166 trlgG= -2.237014 logG= -0.661810 TDE= -4.400303 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038473 tlogG= -0.620226 logG= -0.658698 Density= 3.417939 ETOT(band)= -1.564695 trlgG= -2.230318 logG= -0.658698 TDE= -4.397714 logGD-logG0= -0.038397 tlogG= -0.620035 logG= -0.658433 Density= 3.417119 ETOT(band)= -1.565185 trlgG= -2.231310 logG= -0.658433 TDE= -4.398294 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038430 tlogG= -0.622356 logG= -0.660786 Density= 3.417488 ETOT(band)= -1.566604 trlgG= -2.234844 logG= -0.660786 TDE= -4.399780 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038385 tlogG= -0.624688 logG= -0.663074 Density= 3.416639 ETOT(band)= -1.568901 trlgG= -2.241226 logG= -0.663074 TDE= -4.403171 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038417 tlogG= -0.622031 logG= -0.660448 Density= 3.417187 ETOT(band)= -1.566485 trlgG= -2.235172 logG= -0.660448 TDE= -4.400196 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038448 tlogG= -0.619595 logG= -0.658043 Density= 3.417145 ETOT(band)= -1.564739 trlgG= -2.230924 logG= -0.658043 TDE= -4.398318 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038966 tlogG= -0.609655 logG= -0.648621 Density= 3.420478 ETOT(band)= -1.554038 trlgG= -2.215411 logG= -0.648621 TDE= -4.394983 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038277 tlogG= -0.620904 logG= -0.659181 Density= 3.416898 ETOT(band)= -1.566230 trlgG= -2.232136 logG= -0.659181 TDE= -4.398188 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038441 tlogG= -0.617792 logG= -0.656233 Density= 3.417473 ETOT(band)= -1.563201 trlgG= -2.227419 logG= -0.656233 TDE= -4.396894 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038389 tlogG= -0.618170 logG= -0.656560 Density= 3.417480 ETOT(band)= -1.563558 trlgG= -2.227213 logG= -0.656560 TDE= -4.396368 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038199 tlogG= -0.625753 logG= -0.663952 Density= 3.416004 ETOT(band)= -1.570455 trlgG= -2.241405 logG= -0.663952 TDE= -4.401947 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038599 tlogG= -0.617469 logG= -0.656068 Density= 3.418653 ETOT(band)= -1.561878 trlgG= -2.226214 logG= -0.656068 TDE= -4.396831 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038302 tlogG= -0.620660 logG= -0.658962 Density= 3.416734 ETOT(band)= -1.566126 trlgG= -2.231965 logG= -0.658962 TDE= -4.398101 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038730 tlogG= -0.611165 logG= -0.649895 Density= 3.419471 ETOT(band)= -1.556253 trlgG= -2.216289 logG= -0.649895 TDE= -4.393755 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038642 tlogG= -0.615679 logG= -0.654321 Density= 3.418432 ETOT(band)= -1.560546 trlgG= -2.224827 logG= -0.654321 TDE= -4.397008 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038334 tlogG= -0.625161 logG= -0.663495 Density= 3.416589 ETOT(band)= -1.569401 trlgG= -2.241259 logG= -0.663495 TDE= -4.402741 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038232 tlogG= -0.622979 logG= -0.661211 Density= 3.416428 ETOT(band)= -1.568123 trlgG= -2.236136 logG= -0.661211 TDE= -4.399769 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038275 tlogG= -0.625292 logG= -0.663566 Density= 3.416155 ETOT(band)= -1.569912 trlgG= -2.241836 logG= -0.663566 TDE= -4.402888 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038280 tlogG= -0.622657 logG= -0.660937 Density= 3.416411 ETOT(band)= -1.567841 trlgG= -2.236242 logG= -0.660937 TDE= -4.400135 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038737 tlogG= -0.613409 logG= -0.652146 Density= 3.419350 ETOT(band)= -1.558073 trlgG= -2.220731 logG= -0.652146 TDE= -4.395845 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038490 tlogG= -0.617385 logG= -0.655876 Density= 3.417470 ETOT(band)= -1.562813 trlgG= -2.227318 logG= -0.655876 TDE= -4.397149 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038503 tlogG= -0.619434 logG= -0.657937 Density= 3.417660 ETOT(band)= -1.564098 trlgG= -2.230254 logG= -0.657937 TDE= -4.398180 logGD-logG0= -0.038747 tlogG= -0.612952 logG= -0.651699 Density= 3.419046 ETOT(band)= -1.557902 trlgG= -2.220812 logG= -0.651699 TDE= -4.396123 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038849 tlogG= -0.610447 logG= -0.649296 Density= 3.419963 ETOT(band)= -1.555196 trlgG= -2.216310 logG= -0.649296 TDE= -4.394782 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038458 tlogG= -0.620035 logG= -0.658492 Density= 3.417707 ETOT(band)= -1.564544 trlgG= -2.230164 logG= -0.658492 TDE= -4.397573 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038577 tlogG= -0.620437 logG= -0.659014 Density= 3.418886 ETOT(band)= -1.564164 trlgG= -2.229512 logG= -0.659014 TDE= -4.397375 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038671 tlogG= -0.613994 logG= -0.652665 Density= 3.419169 ETOT(band)= -1.558791 trlgG= -2.220458 logG= -0.652665 TDE= -4.394905 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038806 tlogG= -0.612808 logG= -0.651614 Density= 3.419552 ETOT(band)= -1.557322 trlgG= -2.220314 logG= -0.651614 TDE= -4.396128 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038598 tlogG= -0.617097 logG= -0.655695 Density= 3.418406 ETOT(band)= -1.561661 trlgG= -2.226330 logG= -0.655695 TDE= -4.397116 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 Sum of eigenvalues= -1021.67956840142 eV TrLogG= -1457.49227553935 eV Ratio to renormalize= 0.999718728427 rho-rho_expected= 0.046141516343 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 45) Finished k-point number 46 1 with #bands= 107 39) Finished k-point number 40 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 18) Finished k-point number 19 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 33) Finished k-point number 34 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800688011068862 0.802662181910031 0.802524128891243 0.800258706533188 0.803193883212301 0.802485766195148 0.800982684913483 0.802525595445111 0.802627539627580 0.800893721319626 0.802727467778651 0.802529745313963 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038352 tlogG= -0.623069 logG= -0.661421 Density= 3.416747 ETOT(band)= -1.567725 trlgG= -2.237070 logG= -0.661421 TDE= -4.400758 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038282 tlogG= -0.627049 logG= -0.665330 Density= 3.416078 ETOT(band)= -1.571165 trlgG= -2.245335 logG= -0.665330 TDE= -4.404560 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038388 tlogG= -0.618173 logG= -0.656561 Density= 3.417475 ETOT(band)= -1.563556 trlgG= -2.227212 logG= -0.656561 TDE= -4.396362 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038344 tlogG= -0.620437 logG= -0.658781 Density= 3.417103 ETOT(band)= -1.565571 trlgG= -2.231312 logG= -0.658781 TDE= -4.397934 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038582 tlogG= -0.616198 logG= -0.654779 Density= 3.418309 ETOT(band)= -1.561138 trlgG= -2.225117 logG= -0.654779 TDE= -4.396738 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038351 tlogG= -0.624794 logG= -0.663145 Density= 3.416318 ETOT(band)= -1.569309 trlgG= -2.241691 logG= -0.663145 TDE= -4.403299 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038487 tlogG= -0.619852 logG= -0.658339 Density= 3.417779 ETOT(band)= -1.564427 trlgG= -2.230448 logG= -0.658339 TDE= -4.398071 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038446 tlogG= -0.622640 logG= -0.661086 Density= 3.417824 ETOT(band)= -1.566649 trlgG= -2.234335 logG= -0.661086 TDE= -4.399248 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038333 tlogG= -0.620408 logG= -0.658740 Density= 3.416574 ETOT(band)= -1.566004 trlgG= -2.231940 logG= -0.658740 TDE= -4.398165 logGD-logG0= -0.038403 tlogG= -0.622612 logG= -0.661015 Density= 3.416803 ETOT(band)= -1.567242 trlgG= -2.236995 logG= -0.661015 TDE= -4.401134 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038377 tlogG= -0.626455 logG= -0.664831 Density= 3.416359 ETOT(band)= -1.570385 trlgG= -2.244988 logG= -0.664831 TDE= -4.404944 logGD-logG0= -0.038447 tlogG= -0.619598 logG= -0.658044 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038288 tlogG= -0.625609 logG= -0.663897 Density= 3.416564 ETOT(band)= -1.569847 trlgG= -2.240700 logG= -0.663897 TDE= -4.401760 Density= 3.417140 ETOT(band)= -1.564737 trlgG= -2.230923 logG= -0.658044 TDE= -4.398313 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038965 tlogG= -0.609658 logG= -0.648622 Density= 3.420473 ETOT(band)= -1.554037 trlgG= -2.215409 logG= -0.648622 TDE= -4.394976 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038527 tlogG= -0.616709 logG= -0.655236 Density= 3.418223 ETOT(band)= -1.561708 trlgG= -2.224983 logG= -0.655236 TDE= -4.396076 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038660 tlogG= -0.613571 logG= -0.652230 Density= 3.418778 ETOT(band)= -1.558698 trlgG= -2.221309 logG= -0.652230 TDE= -4.395867 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038276 tlogG= -0.620907 logG= -0.659182 Density= 3.416894 ETOT(band)= -1.566228 trlgG= -2.232136 logG= -0.659182 TDE= -4.398183 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038303 tlogG= -0.623508 logG= -0.661811 Density= 3.416732 ETOT(band)= -1.568164 trlgG= -2.237014 logG= -0.661811 TDE= -4.400298 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038471 tlogG= -0.620228 logG= -0.658699 Density= 3.417935 ETOT(band)= -1.564693 trlgG= -2.230317 logG= -0.658699 TDE= -4.397708 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038332 tlogG= -0.622291 logG= -0.660624 Density= 3.416401 ETOT(band)= -1.567499 trlgG= -2.236345 logG= -0.660624 TDE= -4.400543 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038279 tlogG= -0.622660 logG= -0.660938 Density= 3.416406 ETOT(band)= -1.567839 trlgG= -2.236241 logG= -0.660938 TDE= -4.400130 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038300 tlogG= -0.620663 logG= -0.658963 Density= 3.416729 ETOT(band)= -1.566124 trlgG= -2.231965 logG= -0.658963 TDE= -4.398096 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038384 tlogG= -0.624691 logG= -0.663075 Density= 3.416634 ETOT(band)= -1.568899 trlgG= -2.241225 logG= -0.663075 TDE= -4.403165 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038502 tlogG= -0.619436 logG= -0.657938 Density= 3.417656 ETOT(band)= -1.564096 trlgG= -2.230253 logG= -0.657938 TDE= -4.398174 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038396 tlogG= -0.620038 logG= -0.658434 Density= 3.417115 ETOT(band)= -1.565183 trlgG= -2.231310 logG= -0.658434 TDE= -4.398288 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038191 tlogG= -0.627605 logG= -0.665795 Density= 3.415832 ETOT(band)= -1.571879 trlgG= -2.244897 logG= -0.665795 TDE= -4.403453 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038575 tlogG= -0.614158 logG= -0.652733 Density= 3.418513 ETOT(band)= -1.559464 trlgG= -2.221103 logG= -0.652733 TDE= -4.394939 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038805 tlogG= -0.612810 logG= -0.651615 Density= 3.419547 ETOT(band)= -1.557320 trlgG= -2.220312 logG= -0.651615 TDE= -4.396121 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038641 tlogG= -0.615681 logG= -0.654322 Density= 3.418428 ETOT(band)= -1.560544 trlgG= -2.224826 logG= -0.654322 TDE= -4.397001 logGD-logG0= -0.038333 tlogG= -0.625164 logG= -0.663496 Density= 3.416585 ETOT(band)= -1.569399 trlgG= -2.241258 logG= -0.663496 TDE= -4.402736 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038197 tlogG= -0.625756 logG= -0.663953 Density= 3.415999 ETOT(band)= -1.570453 trlgG= -2.241405 logG= -0.663953 TDE= -4.401942 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038230 tlogG= -0.622982 logG= -0.661212 Density= 3.416423 ETOT(band)= -1.568121 trlgG= -2.236136 logG= -0.661212 TDE= -4.399764 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038429 tlogG= -0.622358 logG= -0.660787 Density= 3.417484 ETOT(band)= -1.566602 trlgG= -2.234843 logG= -0.660787 TDE= -4.399774 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038736 tlogG= -0.613412 logG= -0.652148 Density= 3.419345 ETOT(band)= -1.558071 trlgG= -2.220729 logG= -0.652148 TDE= -4.395838 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038273 tlogG= -0.625294 logG= -0.663568 Density= 3.416150 ETOT(band)= -1.569910 trlgG= -2.241835 logG= -0.663568 TDE= -4.402882 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038416 tlogG= -0.622033 logG= -0.660449 Density= 3.417182 ETOT(band)= -1.566483 trlgG= -2.235171 logG= -0.660449 TDE= -4.400190 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038512 tlogG= -0.620243 logG= -0.658755 Density= 3.418266 ETOT(band)= -1.564372 trlgG= -2.229840 logG= -0.658755 TDE= -4.397450 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038745 tlogG= -0.612955 logG= -0.651700 Density= 3.419041 ETOT(band)= -1.557901 trlgG= -2.220811 logG= -0.651700 TDE= -4.396116 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038729 tlogG= -0.611167 logG= -0.649896 Density= 3.419466 ETOT(band)= -1.556251 trlgG= -2.216288 logG= -0.649896 TDE= -4.393748 logGD-logG0= -0.038440 tlogG= -0.617795 logG= -0.656234 Density= 3.417468 ETOT(band)= -1.563199 trlgG= -2.227418 logG= -0.656234 TDE= -4.396888 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038576 tlogG= -0.620439 logG= -0.659015 Density= 3.418882 ETOT(band)= -1.564161 trlgG= -2.229511 logG= -0.659015 TDE= -4.397370 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038604 tlogG= -0.617826 logG= -0.656430 Density= 3.418919 ETOT(band)= -1.562054 trlgG= -2.225773 logG= -0.656430 TDE= -4.396247 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038456 tlogG= -0.620037 logG= -0.658493 Density= 3.417702 ETOT(band)= -1.564542 trlgG= -2.230163 logG= -0.658493 TDE= -4.397567 logGD-logG0= -0.038598 tlogG= -0.617472 logG= -0.656069 Density= 3.418648 ETOT(band)= -1.561875 trlgG= -2.226213 logG= -0.656069 TDE= -4.396824 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038596 tlogG= -0.617100 logG= -0.655696 Density= 3.418402 ETOT(band)= -1.561659 trlgG= -2.226329 logG= -0.655696 TDE= -4.397109 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038669 tlogG= -0.613997 logG= -0.652666 Density= 3.419165 ETOT(band)= -1.558789 trlgG= -2.220457 logG= -0.652666 TDE= -4.394898 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038489 tlogG= -0.617388 logG= -0.655877 Density= 3.417466 ETOT(band)= -1.562812 trlgG= -2.227317 logG= -0.655877 TDE= -4.397142 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038847 tlogG= -0.610450 logG= -0.649297 Density= 3.419958 ETOT(band)= -1.555194 trlgG= -2.216308 logG= -0.649297 TDE= -4.394775 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1021.67831080802 eV TrLogG= -1457.48914264755 eV Ratio to renormalize= 0.999720084310 rho-rho_expected= 0.045919026688 nargs= 1 argi=dmft2.def 27) Finished k-point number 28 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 33) Finished k-point number 34 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 25) Finished k-point number 26 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 38) Finished k-point number 39 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 2) Finished k-point number 3 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 10) Finished k-point number 11 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800484487385216 0.802453039369419 0.802373120871196 0.800054724550807 0.802989151443314 0.802332120983492 0.800780143314337 0.802316335368493 0.802476264022829 0.800692318949930 0.802518128492146 0.802378469698984 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038345 tlogG= -0.618271 logG= -0.656616 Density= 3.417343 ETOT(band)= -1.563452 trlgG= -2.227157 logG= -0.656616 TDE= -4.396142 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038308 tlogG= -0.624896 logG= -0.663204 Density= 3.416185 ETOT(band)= -1.569209 trlgG= -2.241646 logG= -0.663204 TDE= -4.403086 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038429 tlogG= -0.620326 logG= -0.658755 Density= 3.417805 ETOT(band)= -1.564587 trlgG= -2.230271 logG= -0.658755 TDE= -4.397499 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038334 tlogG= -0.626558 logG= -0.664892 Density= 3.416226 ETOT(band)= -1.570287 trlgG= -2.244945 logG= -0.664892 TDE= -4.404731 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038445 tlogG= -0.619951 logG= -0.658396 Density= 3.417648 ETOT(band)= -1.564323 trlgG= -2.230400 logG= -0.658396 TDE= -4.397857 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038404 tlogG= -0.619698 logG= -0.658102 Density= 3.417007 ETOT(band)= -1.564637 trlgG= -2.230884 logG= -0.658102 TDE= -4.398105 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038290 tlogG= -0.622392 logG= -0.660681 Density= 3.416269 ETOT(band)= -1.567397 trlgG= -2.236298 logG= -0.660681 TDE= -4.400329 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038404 tlogG= -0.622737 logG= -0.661141 Density= 3.417697 ETOT(band)= -1.566541 trlgG= -2.234299 logG= -0.661141 TDE= -4.399051 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.038245 tlogG= -0.625709 logG= -0.663954 Density= 3.416434 ETOT(band)= -1.569743 trlgG= -2.240663 logG= -0.663954 TDE= -4.401559 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038386 tlogG= -0.622457 logG= -0.660843 Density= 3.417355 ETOT(band)= -1.566496 trlgG= -2.234793 logG= -0.660843 TDE= -4.399561 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038685 tlogG= -0.611268 logG= -0.649954 Density= 3.419326 ETOT(band)= -1.556154 trlgG= -2.216216 logG= -0.649954 TDE= -4.393503 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038302 tlogG= -0.620536 logG= -0.658837 Density= 3.416972 ETOT(band)= -1.565467 trlgG= -2.231275 logG= -0.658837 TDE= -4.397731 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038233 tlogG= -0.621004 logG= -0.659237 Density= 3.416764 ETOT(band)= -1.566121 trlgG= -2.232110 logG= -0.659237 TDE= -4.397996 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038761 tlogG= -0.612912 logG= -0.651673 Density= 3.419409 ETOT(band)= -1.557222 trlgG= -2.220237 logG= -0.651673 TDE= -4.395874 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038539 tlogG= -0.616298 logG= -0.654836 Density= 3.418175 ETOT(band)= -1.561037 trlgG= -2.225040 logG= -0.654836 TDE= -4.396492 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038532 tlogG= -0.614258 logG= -0.652790 Density= 3.418377 ETOT(band)= -1.559364 trlgG= -2.221037 logG= -0.652790 TDE= -4.394704 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038341 tlogG= -0.624793 logG= -0.663134 Density= 3.416502 ETOT(band)= -1.568798 trlgG= -2.241180 logG= -0.663134 TDE= -4.402952 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038616 tlogG= -0.613671 logG= -0.652288 Density= 3.418641 ETOT(band)= -1.558599 trlgG= -2.221233 logG= -0.652288 TDE= -4.395620 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038148 tlogG= -0.627706 logG= -0.665854 Density= 3.415700 ETOT(band)= -1.571779 trlgG= -2.244855 logG= -0.665854 TDE= -4.403243 logGD-logG0= -0.038261 tlogG= -0.623608 logG= -0.661868 Density= 3.416601 ETOT(band)= -1.568060 trlgG= -2.236979 logG= -0.661868 TDE= -4.400099 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038360 tlogG= -0.622714 logG= -0.661074 Density= 3.416671 ETOT(band)= -1.567142 trlgG= -2.236950 logG= -0.661074 TDE= -4.400921 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038373 tlogG= -0.622133 logG= -0.660506 Density= 3.417051 ETOT(band)= -1.566379 trlgG= -2.235122 logG= -0.660506 TDE= -4.399976 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038555 tlogG= -0.617570 logG= -0.656125 Density= 3.418518 ETOT(band)= -1.561770 trlgG= -2.226146 logG= -0.656125 TDE= -4.396594 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038534 tlogG= -0.620535 logG= -0.659069 Density= 3.418757 ETOT(band)= -1.564049 trlgG= -2.229478 logG= -0.659069 TDE= -4.397180 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038598 tlogG= -0.615783 logG= -0.654380 Density= 3.418292 ETOT(band)= -1.560445 trlgG= -2.224750 logG= -0.654380 TDE= -4.396755 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038693 tlogG= -0.613512 logG= -0.652205 Density= 3.419209 ETOT(band)= -1.557971 trlgG= -2.220652 logG= -0.652205 TDE= -4.395591 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038414 tlogG= -0.620135 logG= -0.658549 Density= 3.417572 ETOT(band)= -1.564436 trlgG= -2.230120 logG= -0.658549 TDE= -4.397362 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038553 tlogG= -0.617199 logG= -0.655752 Density= 3.418269 ETOT(band)= -1.561556 trlgG= -2.226263 logG= -0.655752 TDE= -4.396877 logGD-logG0= -0.038484 tlogG= -0.616809 logG= -0.655293 Density= 3.418089 ETOT(band)= -1.561606 trlgG= -2.224919 logG= -0.655293 TDE= -4.395845 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038239 tlogG= -0.627151 logG= -0.665389 Density= 3.415945 ETOT(band)= -1.571065 trlgG= -2.245291 logG= -0.665389 TDE= -4.404347 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038188 tlogG= -0.623080 logG= -0.661268 Density= 3.416293 ETOT(band)= -1.568016 trlgG= -2.236111 logG= -0.661268 TDE= -4.399575 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038446 tlogG= -0.617488 logG= -0.655934 Density= 3.417332 ETOT(band)= -1.562711 trlgG= -2.227249 logG= -0.655934 TDE= -4.396907 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038921 tlogG= -0.609760 logG= -0.648681 Density= 3.420331 ETOT(band)= -1.553942 trlgG= -2.215339 logG= -0.648681 TDE= -4.394730 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038258 tlogG= -0.620761 logG= -0.659019 Density= 3.416599 ETOT(band)= -1.566019 trlgG= -2.231929 logG= -0.659019 TDE= -4.397896 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038309 tlogG= -0.623169 logG= -0.661478 Density= 3.416616 ETOT(band)= -1.567622 trlgG= -2.237027 logG= -0.661478 TDE= -4.400548 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038236 tlogG= -0.622759 logG= -0.660995 Density= 3.416276 ETOT(band)= -1.567736 trlgG= -2.236196 logG= -0.660995 TDE= -4.399920 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038459 tlogG= -0.619536 logG= -0.657996 Density= 3.417523 ETOT(band)= -1.563994 trlgG= -2.230200 logG= -0.657996 TDE= -4.397955 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038155 tlogG= -0.625856 logG= -0.664011 Density= 3.415868 ETOT(band)= -1.570351 trlgG= -2.241372 logG= -0.664011 TDE= -4.401743 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038290 tlogG= -0.625264 logG= -0.663554 Density= 3.416454 ETOT(band)= -1.569296 trlgG= -2.241210 logG= -0.663554 TDE= -4.402522 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038804 tlogG= -0.610551 logG= -0.649355 Density= 3.419817 ETOT(band)= -1.555099 trlgG= -2.216236 logG= -0.649355 TDE= -4.394527 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038626 tlogG= -0.614096 logG= -0.652723 Density= 3.419030 ETOT(band)= -1.558688 trlgG= -2.220387 logG= -0.652723 TDE= -4.394660 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038230 tlogG= -0.625395 logG= -0.663626 Density= 3.416019 ETOT(band)= -1.569808 trlgG= -2.241789 logG= -0.663626 TDE= -4.402669 logGD-logG0= -0.038353 tlogG= -0.620138 logG= -0.658491 Density= 3.416982 ETOT(band)= -1.565080 trlgG= -2.231272 logG= -0.658491 TDE= -4.398084 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038290 tlogG= -0.620507 logG= -0.658797 Density= 3.416442 ETOT(band)= -1.565901 trlgG= -2.231904 logG= -0.658797 TDE= -4.397963 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038397 tlogG= -0.617894 logG= -0.656291 Density= 3.417336 ETOT(band)= -1.563096 trlgG= -2.227351 logG= -0.656291 TDE= -4.396655 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=130 logGD-logG0= -0.038470 tlogG= -0.620340 logG= -0.658810 Density= 3.418139 ETOT(band)= -1.564263 trlgG= -2.229799 logG= -0.658810 TDE= -4.397249 logGD-logG0= -0.038702 tlogG= -0.613056 logG= -0.651758 Density= 3.418903 ETOT(band)= -1.557803 trlgG= -2.220737 logG= -0.651758 TDE= -4.395869 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038562 tlogG= -0.617923 logG= -0.656485 Density= 3.418790 ETOT(band)= -1.561947 trlgG= -2.225715 logG= -0.656485 TDE= -4.396027 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Sum of eigenvalues= -1021.61147657399 eV TrLogG= -1457.38372677262 eV Ratio to renormalize= 0.999758866008 rho-rho_expected= 0.039555512801 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 4) Finished k-point number 5 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 45) Finished k-point number 46 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800460888759910 0.802427082133124 0.802351924262586 0.800033018648395 0.802961462810178 0.802315117288052 0.800758091862789 0.802288659886043 0.802454591633482 0.800668989532948 0.802490531792815 0.802359667286872 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038285 tlogG= -0.620528 logG= -0.658813 Density= 3.416426 ETOT(band)= -1.565883 trlgG= -2.231903 logG= -0.658813 TDE= -4.397933 logGD-logG0= -0.038534 tlogG= -0.616319 logG= -0.654853 Density= 3.418158 ETOT(band)= -1.561019 trlgG= -2.225034 logG= -0.654853 TDE= -4.396456 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038479 tlogG= -0.616830 logG= -0.655309 Density= 3.418073 ETOT(band)= -1.561588 trlgG= -2.224915 logG= -0.655309 TDE= -4.395810 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038399 tlogG= -0.622758 logG= -0.661158 Density= 3.417681 ETOT(band)= -1.566522 trlgG= -2.234298 logG= -0.661158 TDE= -4.399021 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038143 tlogG= -0.627727 logG= -0.665870 Density= 3.415684 ETOT(band)= -1.571761 trlgG= -2.244853 logG= -0.665870 TDE= -4.403212 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038621 tlogG= -0.614117 logG= -0.652739 Density= 3.419013 ETOT(band)= -1.558670 trlgG= -2.220382 logG= -0.652739 TDE= -4.394625 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038916 tlogG= -0.609782 logG= -0.648698 Density= 3.420314 ETOT(band)= -1.553926 trlgG= -2.215334 logG= -0.648698 TDE= -4.394694 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038612 tlogG= -0.613693 logG= -0.652304 Density= 3.418624 ETOT(band)= -1.558582 trlgG= -2.221227 logG= -0.652304 TDE= -4.395584 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038240 tlogG= -0.625730 logG= -0.663970 Density= 3.416418 ETOT(band)= -1.569725 trlgG= -2.240663 logG= -0.663970 TDE= -4.401529 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038529 tlogG= -0.620556 logG= -0.659084 Density= 3.418742 ETOT(band)= -1.564031 trlgG= -2.229478 logG= -0.659084 TDE= -4.397151 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038228 tlogG= -0.621025 logG= -0.659253 Density= 3.416749 ETOT(band)= -1.566102 trlgG= -2.232110 logG= -0.659253 TDE= -4.397967 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038297 tlogG= -0.620557 logG= -0.658854 Density= 3.416956 ETOT(band)= -1.565449 trlgG= -2.231274 logG= -0.658854 TDE= -4.397701 logGD-logG0= -0.038440 tlogG= -0.619972 logG= -0.658412 Density= 3.417632 ETOT(band)= -1.564305 trlgG= -2.230398 logG= -0.658412 TDE= -4.397826 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038756 tlogG= -0.612933 logG= -0.651689 Density= 3.419392 ETOT(band)= -1.557205 trlgG= -2.220232 logG= -0.651689 TDE= -4.395838 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038355 tlogG= -0.622735 logG= -0.661090 Density= 3.416654 ETOT(band)= -1.567124 trlgG= -2.236948 logG= -0.661090 TDE= -4.400889 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038550 tlogG= -0.617591 logG= -0.656141 Density= 3.418501 ETOT(band)= -1.561752 trlgG= -2.226142 logG= -0.656141 TDE= -4.396560 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038340 tlogG= -0.618292 logG= -0.656633 Density= 3.417327 ETOT(band)= -1.563434 trlgG= -2.227154 logG= -0.656633 TDE= -4.396109 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038256 tlogG= -0.623629 logG= -0.661885 Density= 3.416585 ETOT(band)= -1.568042 trlgG= -2.236979 logG= -0.661885 TDE= -4.400069 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038329 tlogG= -0.626579 logG= -0.664908 Density= 3.416209 ETOT(band)= -1.570270 trlgG= -2.244944 logG= -0.664908 TDE= -4.404699 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038382 tlogG= -0.622478 logG= -0.660859 Density= 3.417339 ETOT(band)= -1.566478 trlgG= -2.234790 logG= -0.660859 TDE= -4.399529 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038234 tlogG= -0.627172 logG= -0.665406 Density= 3.415929 ETOT(band)= -1.571048 trlgG= -2.245290 logG= -0.665406 TDE= -4.404316 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038303 tlogG= -0.624918 logG= -0.663221 Density= 3.416169 ETOT(band)= -1.569192 trlgG= -2.241644 logG= -0.663221 TDE= -4.403054 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038285 tlogG= -0.625286 logG= -0.663571 Density= 3.416438 ETOT(band)= -1.569279 trlgG= -2.241208 logG= -0.663571 TDE= -4.402490 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038527 tlogG= -0.614279 logG= -0.652806 Density= 3.418361 ETOT(band)= -1.559346 trlgG= -2.221032 logG= -0.652806 TDE= -4.394669 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038688 tlogG= -0.613533 logG= -0.652221 Density= 3.419192 ETOT(band)= -1.557954 trlgG= -2.220646 logG= -0.652221 TDE= -4.395555 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038285 tlogG= -0.622413 logG= -0.660698 Density= 3.416253 ETOT(band)= -1.567379 trlgG= -2.236295 logG= -0.660698 TDE= -4.400297 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038183 tlogG= -0.623101 logG= -0.661285 Density= 3.416277 ETOT(band)= -1.567998 trlgG= -2.236111 logG= -0.661285 TDE= -4.399546 logGD-logG0= -0.038226 tlogG= -0.625417 logG= -0.663642 Density= 3.416003 ETOT(band)= -1.569791 trlgG= -2.241787 logG= -0.663642 TDE= -4.402637 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038231 tlogG= -0.622780 logG= -0.661011 Density= 3.416260 ETOT(band)= -1.567718 trlgG= -2.236194 logG= -0.661011 TDE= -4.399888 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038799 tlogG= -0.610573 logG= -0.649372 Density= 3.419800 ETOT(band)= -1.555082 trlgG= -2.216230 logG= -0.649372 TDE= -4.394491 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038424 tlogG= -0.620347 logG= -0.658771 Density= 3.417789 ETOT(band)= -1.564569 trlgG= -2.230269 logG= -0.658771 TDE= -4.397468 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038336 tlogG= -0.624814 logG= -0.663150 Density= 3.416486 ETOT(band)= -1.568781 trlgG= -2.241178 logG= -0.663150 TDE= -4.402920 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038409 tlogG= -0.620156 logG= -0.658565 Density= 3.417556 ETOT(band)= -1.564418 trlgG= -2.230119 logG= -0.658565 TDE= -4.397331 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038441 tlogG= -0.617510 logG= -0.655951 Density= 3.417315 ETOT(band)= -1.562693 trlgG= -2.227244 logG= -0.655951 TDE= -4.396872 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038593 tlogG= -0.615804 logG= -0.654397 Density= 3.418275 ETOT(band)= -1.560428 trlgG= -2.224744 logG= -0.654397 TDE= -4.396719 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038400 tlogG= -0.619720 logG= -0.658120 Density= 3.416990 ETOT(band)= -1.564619 trlgG= -2.230884 logG= -0.658120 TDE= -4.398074 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038557 tlogG= -0.617944 logG= -0.656501 Density= 3.418774 ETOT(band)= -1.561928 trlgG= -2.225711 logG= -0.656501 TDE= -4.395995 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038368 tlogG= -0.622154 logG= -0.660522 Density= 3.417035 ETOT(band)= -1.566361 trlgG= -2.235120 logG= -0.660522 TDE= -4.399944 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038454 tlogG= -0.619558 logG= -0.658012 Density= 3.417506 ETOT(band)= -1.563976 trlgG= -2.230198 logG= -0.658012 TDE= -4.397922 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038304 tlogG= -0.623190 logG= -0.661495 Density= 3.416600 ETOT(band)= -1.567605 trlgG= -2.237025 logG= -0.661495 TDE= -4.400517 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038680 tlogG= -0.611290 logG= -0.649970 Density= 3.419309 ETOT(band)= -1.556137 trlgG= -2.216211 logG= -0.649970 TDE= -4.393468 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038150 tlogG= -0.625877 logG= -0.664027 Density= 3.415852 ETOT(band)= -1.570333 trlgG= -2.241372 logG= -0.664027 TDE= -4.401713 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038548 tlogG= -0.617220 logG= -0.655769 Density= 3.418252 ETOT(band)= -1.561539 trlgG= -2.226258 logG= -0.655769 TDE= -4.396843 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038392 tlogG= -0.617915 logG= -0.656307 Density= 3.417319 ETOT(band)= -1.563078 trlgG= -2.227347 logG= -0.656307 TDE= -4.396621 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.038465 tlogG= -0.620361 logG= -0.658826 Density= 3.418123 ETOT(band)= -1.564245 trlgG= -2.229798 logG= -0.658826 TDE= -4.397219 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038348 tlogG= -0.620159 logG= -0.658507 Density= 3.416966 ETOT(band)= -1.565063 trlgG= -2.231271 logG= -0.658507 TDE= -4.398053 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038253 tlogG= -0.620782 logG= -0.659035 Density= 3.416583 ETOT(band)= -1.566001 trlgG= -2.231928 logG= -0.659035 TDE= -4.397866 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038697 tlogG= -0.613078 logG= -0.651775 Density= 3.418886 ETOT(band)= -1.557786 trlgG= -2.220731 logG= -0.651775 TDE= -4.395833 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 Sum of eigenvalues= -1021.59991125555 eV TrLogG= -1457.37321504421 eV Ratio to renormalize= 0.999763617412 rho-rho_expected= 0.038775910415 nargs= 1 argi=dmft2.def 13) Finished k-point number 14 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 20) Finished k-point number 21 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 28) Finished k-point number 29 1 with #bands= 107 5) Finished k-point number 6 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 21) Finished k-point number 22 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 8) Finished k-point number 9 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800463322587071 0.802428502169161 0.802354920567584 0.800035483188160 0.802963147888783 0.802317875501041 0.800760506570252 0.802290141899999 0.802457642309088 0.800671400931033 0.802492003668268 0.802362680507520 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038442 tlogG= -0.617512 logG= -0.655954 Density= 3.417317 ETOT(band)= -1.562697 trlgG= -2.227252 logG= -0.655954 TDE= -4.396878 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038241 tlogG= -0.625733 logG= -0.663974 Density= 3.416419 ETOT(band)= -1.569730 trlgG= -2.240671 logG= -0.663974 TDE= -4.401534 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038298 tlogG= -0.620560 logG= -0.658857 Density= 3.416957 ETOT(band)= -1.565453 trlgG= -2.231281 logG= -0.658857 TDE= -4.397706 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038144 tlogG= -0.627730 logG= -0.665874 Density= 3.415685 ETOT(band)= -1.571765 trlgG= -2.244861 logG= -0.665874 TDE= -4.403217 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038480 tlogG= -0.616833 logG= -0.655312 Density= 3.418074 ETOT(band)= -1.561592 trlgG= -2.224923 logG= -0.655312 TDE= -4.395816 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038528 tlogG= -0.614282 logG= -0.652809 Density= 3.418362 ETOT(band)= -1.559350 trlgG= -2.221040 logG= -0.652809 TDE= -4.394675 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038534 tlogG= -0.616322 logG= -0.654856 Density= 3.418160 ETOT(band)= -1.561023 trlgG= -2.225042 logG= -0.654856 TDE= -4.396462 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038337 tlogG= -0.624817 logG= -0.663154 Density= 3.416487 ETOT(band)= -1.568785 trlgG= -2.241186 logG= -0.663154 TDE= -4.402926 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038304 tlogG= -0.624921 logG= -0.663225 Density= 3.416171 ETOT(band)= -1.569196 trlgG= -2.241652 logG= -0.663225 TDE= -4.403060 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038382 tlogG= -0.622481 logG= -0.660863 Density= 3.417341 ETOT(band)= -1.566482 trlgG= -2.234798 logG= -0.660863 TDE= -4.399535 logGD-logG0= -0.038229 tlogG= -0.621028 logG= -0.659257 Density= 3.416750 ETOT(band)= -1.566107 trlgG= -2.232118 logG= -0.659257 TDE= -4.397972 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038400 tlogG= -0.622761 logG= -0.661161 Density= 3.417682 ETOT(band)= -1.566527 trlgG= -2.234306 logG= -0.661161 TDE= -4.399027 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038286 tlogG= -0.625289 logG= -0.663575 Density= 3.416439 ETOT(band)= -1.569283 trlgG= -2.241217 logG= -0.663575 TDE= -4.402496 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038341 tlogG= -0.618295 logG= -0.656636 Density= 3.417329 ETOT(band)= -1.563438 trlgG= -2.227162 logG= -0.656636 TDE= -4.396115 logGD-logG0= -0.038286 tlogG= -0.622416 logG= -0.660701 Density= 3.416255 ETOT(band)= -1.567383 trlgG= -2.236303 logG= -0.660701 TDE= -4.400303 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038330 tlogG= -0.626583 logG= -0.664912 Density= 3.416211 ETOT(band)= -1.570274 trlgG= -2.244952 logG= -0.664912 TDE= -4.404705 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038425 tlogG= -0.620350 logG= -0.658775 Density= 3.417791 ETOT(band)= -1.564574 trlgG= -2.230277 logG= -0.658775 TDE= -4.397473 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038612 tlogG= -0.613695 logG= -0.652308 Density= 3.418626 ETOT(band)= -1.558586 trlgG= -2.221235 logG= -0.652308 TDE= -4.395590 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038234 tlogG= -0.627175 logG= -0.665410 Density= 3.415931 ETOT(band)= -1.571052 trlgG= -2.245298 logG= -0.665410 TDE= -4.404321 logGD-logG0= -0.038286 tlogG= -0.620531 logG= -0.658817 Density= 3.416428 ETOT(band)= -1.565887 trlgG= -2.231910 logG= -0.658817 TDE= -4.397938 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038551 tlogG= -0.617594 logG= -0.656144 Density= 3.418503 ETOT(band)= -1.561756 trlgG= -2.226150 logG= -0.656144 TDE= -4.396565 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038757 tlogG= -0.612936 logG= -0.651693 Density= 3.419394 ETOT(band)= -1.557209 trlgG= -2.220240 logG= -0.651693 TDE= -4.395844 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038256 tlogG= -0.623632 logG= -0.661888 Density= 3.416587 ETOT(band)= -1.568046 trlgG= -2.236987 logG= -0.661888 TDE= -4.400074 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038150 tlogG= -0.625880 logG= -0.664031 Density= 3.415854 ETOT(band)= -1.570337 trlgG= -2.241380 logG= -0.664031 TDE= -4.401718 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038799 tlogG= -0.610576 logG= -0.649375 Density= 3.419801 ETOT(band)= -1.555086 trlgG= -2.216238 logG= -0.649375 TDE= -4.394497 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038549 tlogG= -0.617223 logG= -0.655772 Density= 3.418254 ETOT(band)= -1.561543 trlgG= -2.226266 logG= -0.655772 TDE= -4.396849 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038441 tlogG= -0.619975 logG= -0.658416 Density= 3.417634 ETOT(band)= -1.564309 trlgG= -2.230406 logG= -0.658416 TDE= -4.397831 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038593 tlogG= -0.615807 logG= -0.654400 Density= 3.418277 ETOT(band)= -1.560431 trlgG= -2.224752 logG= -0.654400 TDE= -4.396725 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=118 logGD-logG0= -0.038369 tlogG= -0.622157 logG= -0.660526 Density= 3.417037 ETOT(band)= -1.566366 trlgG= -2.235128 logG= -0.660526 TDE= -4.399950 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038254 tlogG= -0.620785 logG= -0.659039 Density= 3.416585 ETOT(band)= -1.566005 trlgG= -2.231935 logG= -0.659039 TDE= -4.397871 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038410 tlogG= -0.620159 logG= -0.658569 Density= 3.417558 ETOT(band)= -1.564423 trlgG= -2.230127 logG= -0.658569 TDE= -4.397336 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038226 tlogG= -0.625420 logG= -0.663646 Density= 3.416004 ETOT(band)= -1.569795 trlgG= -2.241795 logG= -0.663646 TDE= -4.402643 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038349 tlogG= -0.620162 logG= -0.658511 Density= 3.416968 ETOT(band)= -1.565067 trlgG= -2.231278 logG= -0.658511 TDE= -4.398058 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038305 tlogG= -0.623193 logG= -0.661498 Density= 3.416601 ETOT(band)= -1.567609 trlgG= -2.237033 logG= -0.661498 TDE= -4.400522 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038232 tlogG= -0.622783 logG= -0.661015 Density= 3.416261 ETOT(band)= -1.567722 trlgG= -2.236202 logG= -0.661015 TDE= -4.399894 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038393 tlogG= -0.617918 logG= -0.656311 Density= 3.417321 ETOT(band)= -1.563082 trlgG= -2.227354 logG= -0.656311 TDE= -4.396627 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.038466 tlogG= -0.620364 logG= -0.658829 Density= 3.418125 ETOT(band)= -1.564249 trlgG= -2.229806 logG= -0.658829 TDE= -4.397224 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038455 tlogG= -0.619561 logG= -0.658016 Density= 3.417508 ETOT(band)= -1.563980 trlgG= -2.230206 logG= -0.658016 TDE= -4.397928 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038917 tlogG= -0.609785 logG= -0.648701 Density= 3.420315 ETOT(band)= -1.553930 trlgG= -2.215342 logG= -0.648701 TDE= -4.394700 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038529 tlogG= -0.620559 logG= -0.659088 Density= 3.418743 ETOT(band)= -1.564035 trlgG= -2.229486 logG= -0.659088 TDE= -4.397156 logGD-logG0= -0.038400 tlogG= -0.619723 logG= -0.658123 Density= 3.416992 ETOT(band)= -1.564623 trlgG= -2.230892 logG= -0.658123 TDE= -4.398079 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038688 tlogG= -0.613536 logG= -0.652224 Density= 3.419193 ETOT(band)= -1.557958 trlgG= -2.220654 logG= -0.652224 TDE= -4.395561 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038681 tlogG= -0.611292 logG= -0.649974 Density= 3.419311 ETOT(band)= -1.556142 trlgG= -2.216219 logG= -0.649974 TDE= -4.393473 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038557 tlogG= -0.617947 logG= -0.656504 Density= 3.418775 ETOT(band)= -1.561933 trlgG= -2.225720 logG= -0.656504 TDE= -4.396000 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038698 tlogG= -0.613080 logG= -0.651778 Density= 3.418888 ETOT(band)= -1.557790 trlgG= -2.220739 logG= -0.651778 TDE= -4.395839 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038184 tlogG= -0.623105 logG= -0.661288 Density= 3.416279 ETOT(band)= -1.568002 trlgG= -2.236119 logG= -0.661288 TDE= -4.399552 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038356 tlogG= -0.622738 logG= -0.661094 Density= 3.416656 ETOT(band)= -1.567128 trlgG= -2.236956 logG= -0.661094 TDE= -4.400895 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038622 tlogG= -0.614120 logG= -0.652742 Density= 3.419014 ETOT(band)= -1.558674 trlgG= -2.220390 logG= -0.652742 TDE= -4.394631 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Sum of eigenvalues= -1021.60260925873 eV TrLogG= -1457.37924611717 eV Ratio to renormalize= 0.999763153102 rho-rho_expected= 0.038852093255 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 24) Finished k-point number 25 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 28) Finished k-point number 29 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 12) Finished k-point number 13 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 10) Finished k-point number 11 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800456743830588 0.802423766044824 0.802347588023212 0.800028879272306 0.802958146750131 0.802310851495554 0.800753954860829 0.802285374461064 0.802450312671823 0.800664880850558 0.802487221115656 0.802355360682296 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038328 tlogG= -0.626582 logG= -0.664910 Density= 3.416206 ETOT(band)= -1.570263 trlgG= -2.244938 logG= -0.664910 TDE= -4.404689 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038381 tlogG= -0.622480 logG= -0.660860 Density= 3.417336 ETOT(band)= -1.566470 trlgG= -2.234784 logG= -0.660860 TDE= -4.399519 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038284 tlogG= -0.622415 logG= -0.660699 Density= 3.416250 ETOT(band)= -1.567372 trlgG= -2.236289 logG= -0.660699 TDE= -4.400287 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038284 tlogG= -0.620530 logG= -0.658814 Density= 3.416423 ETOT(band)= -1.565875 trlgG= -2.231897 logG= -0.658814 TDE= -4.397923 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038398 tlogG= -0.622760 logG= -0.661159 Density= 3.417677 ETOT(band)= -1.566515 trlgG= -2.234292 logG= -0.661159 TDE= -4.399011 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038302 tlogG= -0.624920 logG= -0.663222 Density= 3.416166 ETOT(band)= -1.569184 trlgG= -2.241638 logG= -0.663222 TDE= -4.403044 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038296 tlogG= -0.620559 logG= -0.658855 Density= 3.416952 ETOT(band)= -1.565441 trlgG= -2.231267 logG= -0.658855 TDE= -4.397691 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038255 tlogG= -0.623631 logG= -0.661886 Density= 3.416582 ETOT(band)= -1.568035 trlgG= -2.236973 logG= -0.661886 TDE= -4.400059 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038230 tlogG= -0.622782 logG= -0.661012 Density= 3.416256 ETOT(band)= -1.567710 trlgG= -2.236188 logG= -0.661012 TDE= -4.399878 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038142 tlogG= -0.627729 logG= -0.665872 Density= 3.415680 ETOT(band)= -1.571754 trlgG= -2.244847 logG= -0.665872 TDE= -4.403201 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038339 tlogG= -0.618294 logG= -0.656634 Density= 3.417324 ETOT(band)= -1.563426 trlgG= -2.227147 logG= -0.656634 TDE= -4.396099 logGD-logG0= -0.038228 tlogG= -0.621027 logG= -0.659254 Density= 3.416745 ETOT(band)= -1.566095 trlgG= -2.232104 logG= -0.659254 TDE= -4.397957 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038423 tlogG= -0.620349 logG= -0.658772 Density= 3.417786 ETOT(band)= -1.564562 trlgG= -2.230263 logG= -0.658772 TDE= -4.397458 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038239 tlogG= -0.625732 logG= -0.663971 Density= 3.416414 ETOT(band)= -1.569718 trlgG= -2.240657 logG= -0.663971 TDE= -4.401519 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038679 tlogG= -0.611291 logG= -0.649971 Density= 3.419305 ETOT(band)= -1.556130 trlgG= -2.216204 logG= -0.649971 TDE= -4.393456 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038549 tlogG= -0.617593 logG= -0.656142 Density= 3.418498 ETOT(band)= -1.561745 trlgG= -2.226135 logG= -0.656142 TDE= -4.396549 logGD-logG0= -0.038620 tlogG= -0.614119 logG= -0.652740 Density= 3.419009 ETOT(band)= -1.558663 trlgG= -2.220375 logG= -0.652740 TDE= -4.394615 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038533 tlogG= -0.616321 logG= -0.654854 Density= 3.418155 ETOT(band)= -1.561012 trlgG= -2.225026 logG= -0.654854 TDE= -4.396445 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038478 tlogG= -0.616832 logG= -0.655310 Density= 3.418069 ETOT(band)= -1.561581 trlgG= -2.224908 logG= -0.655310 TDE= -4.395800 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038547 tlogG= -0.617222 logG= -0.655769 Density= 3.418249 ETOT(band)= -1.561531 trlgG= -2.226251 logG= -0.655769 TDE= -4.396832 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038592 tlogG= -0.615806 logG= -0.654398 Density= 3.418271 ETOT(band)= -1.560420 trlgG= -2.224737 logG= -0.654398 TDE= -4.396708 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038252 tlogG= -0.620784 logG= -0.659036 Density= 3.416580 ETOT(band)= -1.565993 trlgG= -2.231921 logG= -0.659036 TDE= -4.397855 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038439 tlogG= -0.619974 logG= -0.658413 Density= 3.417629 ETOT(band)= -1.564298 trlgG= -2.230391 logG= -0.658413 TDE= -4.397815 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038182 tlogG= -0.623103 logG= -0.661286 Density= 3.416274 ETOT(band)= -1.567991 trlgG= -2.236105 logG= -0.661286 TDE= -4.399537 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038556 tlogG= -0.617946 logG= -0.656502 Density= 3.418770 ETOT(band)= -1.561921 trlgG= -2.225705 logG= -0.656502 TDE= -4.395985 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038233 tlogG= -0.627174 logG= -0.665407 Density= 3.415926 ETOT(band)= -1.571041 trlgG= -2.245284 logG= -0.665407 TDE= -4.404305 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038526 tlogG= -0.614280 logG= -0.652807 Density= 3.418357 ETOT(band)= -1.559339 trlgG= -2.221025 logG= -0.652807 TDE= -4.394658 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038915 tlogG= -0.609784 logG= -0.648699 Density= 3.420310 ETOT(band)= -1.553918 trlgG= -2.215327 logG= -0.648699 TDE= -4.394683 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038284 tlogG= -0.625288 logG= -0.663572 Density= 3.416434 ETOT(band)= -1.569272 trlgG= -2.241202 logG= -0.663572 TDE= -4.402480 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038225 tlogG= -0.625419 logG= -0.663643 Density= 3.415999 ETOT(band)= -1.569783 trlgG= -2.241780 logG= -0.663643 TDE= -4.402627 logGD-logG0= -0.038611 tlogG= -0.613694 logG= -0.652305 Density= 3.418621 ETOT(band)= -1.558575 trlgG= -2.221220 logG= -0.652305 TDE= -4.395572 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038391 tlogG= -0.617917 logG= -0.656308 Density= 3.417316 ETOT(band)= -1.563071 trlgG= -2.227339 logG= -0.656308 TDE= -4.396610 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.038408 tlogG= -0.620158 logG= -0.658566 Density= 3.417553 ETOT(band)= -1.564411 trlgG= -2.230112 logG= -0.658566 TDE= -4.397321 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038303 tlogG= -0.623192 logG= -0.661496 Density= 3.416596 ETOT(band)= -1.567597 trlgG= -2.237019 logG= -0.661496 TDE= -4.400507 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038367 tlogG= -0.622156 logG= -0.660523 Density= 3.417032 ETOT(band)= -1.566354 trlgG= -2.235114 logG= -0.660523 TDE= -4.399934 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038347 tlogG= -0.620161 logG= -0.658508 Density= 3.416962 ETOT(band)= -1.565055 trlgG= -2.231264 logG= -0.658508 TDE= -4.398043 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038354 tlogG= -0.622737 logG= -0.661091 Density= 3.416651 ETOT(band)= -1.567117 trlgG= -2.236942 logG= -0.661091 TDE= -4.400879 logGD-logG0= -0.038528 tlogG= -0.620558 logG= -0.659086 Density= 3.418738 ETOT(band)= -1.564023 trlgG= -2.229472 logG= -0.659086 TDE= -4.397141 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038798 tlogG= -0.610575 logG= -0.649372 Density= 3.419796 ETOT(band)= -1.555075 trlgG= -2.216223 logG= -0.649372 TDE= -4.394480 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038149 tlogG= -0.625879 logG= -0.664028 Density= 3.415849 ETOT(band)= -1.570326 trlgG= -2.241366 logG= -0.664028 TDE= -4.401703 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038440 tlogG= -0.617511 logG= -0.655952 Density= 3.417312 ETOT(band)= -1.562685 trlgG= -2.227237 logG= -0.655952 TDE= -4.396861 logGD-logG0= -0.038464 tlogG= -0.620362 logG= -0.658827 Density= 3.418120 ETOT(band)= -1.564237 trlgG= -2.229792 logG= -0.658827 TDE= -4.397209 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038755 tlogG= -0.612935 logG= -0.651690 Density= 3.419389 ETOT(band)= -1.557198 trlgG= -2.220225 logG= -0.651690 TDE= -4.395827 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038687 tlogG= -0.613535 logG= -0.652222 Density= 3.419188 ETOT(band)= -1.557946 trlgG= -2.220639 logG= -0.652222 TDE= -4.395544 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038399 tlogG= -0.619722 logG= -0.658121 Density= 3.416987 ETOT(band)= -1.564612 trlgG= -2.230878 logG= -0.658121 TDE= -4.398064 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038696 tlogG= -0.613079 logG= -0.651776 Density= 3.418883 ETOT(band)= -1.557779 trlgG= -2.220724 logG= -0.651776 TDE= -4.395822 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038453 tlogG= -0.619560 logG= -0.658013 Density= 3.417503 ETOT(band)= -1.563969 trlgG= -2.230191 logG= -0.658013 TDE= -4.397912 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038335 tlogG= -0.624816 logG= -0.663152 Density= 3.416482 ETOT(band)= -1.568773 trlgG= -2.241172 logG= -0.663152 TDE= -4.402910 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 Sum of eigenvalues= -1021.59508018378 eV TrLogG= -1457.36706278732 eV Ratio to renormalize= 0.999764638819 rho-rho_expected= 0.038608320665 nargs= 1 argi=dmft2.def 26) Finished k-point number 27 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 5) Finished k-point number 6 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 20) Finished k-point number 21 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800837013910931 0.802775512190376 0.802729893444660 0.800408064213980 0.803308591487719 0.802689330404710 0.801131477417406 0.802639253642203 0.802832851002961 0.801042606226749 0.802841598166924 0.802734597034658 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038368 tlogG= -0.622281 logG= -0.660649 Density= 3.416520 ETOT(band)= -1.567770 trlgG= -2.236651 logG= -0.660649 TDE= -4.400922 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038464 tlogG= -0.622350 logG= -0.660814 Density= 3.417600 ETOT(band)= -1.566876 trlgG= -2.235151 logG= -0.660814 TDE= -4.400150 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038368 tlogG= -0.620398 logG= -0.658767 Density= 3.416692 ETOT(band)= -1.566276 trlgG= -2.232232 logG= -0.658767 TDE= -4.398529 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038338 tlogG= -0.623500 logG= -0.661839 Density= 3.416848 ETOT(band)= -1.568438 trlgG= -2.237308 logG= -0.661839 TDE= -4.400661 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038423 tlogG= -0.618165 logG= -0.656588 Density= 3.417592 ETOT(band)= -1.563830 trlgG= -2.227523 logG= -0.656588 TDE= -4.396742 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038226 tlogG= -0.627596 logG= -0.665822 Density= 3.415948 ETOT(band)= -1.572152 trlgG= -2.245202 logG= -0.665822 TDE= -4.403828 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038380 tlogG= -0.620429 logG= -0.658809 Density= 3.417220 ETOT(band)= -1.565845 trlgG= -2.231610 logG= -0.658809 TDE= -4.398300 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038695 tlogG= -0.613560 logG= -0.652255 Density= 3.418899 ETOT(band)= -1.558968 trlgG= -2.221641 logG= -0.652255 TDE= -4.396273 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038311 tlogG= -0.620899 logG= -0.659211 Density= 3.417010 ETOT(band)= -1.566503 trlgG= -2.232418 logG= -0.659211 TDE= -4.398533 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038547 tlogG= -0.620235 logG= -0.658782 Density= 3.418381 ETOT(band)= -1.564648 trlgG= -2.230136 logG= -0.658782 TDE= -4.397813 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038386 tlogG= -0.624784 logG= -0.663170 Density= 3.416438 ETOT(band)= -1.569579 trlgG= -2.241995 logG= -0.663170 TDE= -4.403678 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038617 tlogG= -0.616188 logG= -0.654805 Density= 3.418429 ETOT(band)= -1.561409 trlgG= -2.225448 logG= -0.654805 TDE= -4.397143 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038883 tlogG= -0.610438 logG= -0.649321 Density= 3.420080 ETOT(band)= -1.555462 trlgG= -2.216636 logG= -0.649321 TDE= -4.395180 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038507 tlogG= -0.620220 logG= -0.658727 Density= 3.418050 ETOT(band)= -1.564969 trlgG= -2.230620 logG= -0.658727 TDE= -4.398079 logGD-logG0= -0.038523 tlogG= -0.619843 logG= -0.658366 Density= 3.417897 ETOT(band)= -1.564700 trlgG= -2.230754 logG= -0.658366 TDE= -4.398448 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038705 tlogG= -0.613988 logG= -0.652692 Density= 3.419282 ETOT(band)= -1.559062 trlgG= -2.220784 logG= -0.652692 TDE= -4.395296 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038233 tlogG= -0.625748 logG= -0.663980 Density= 3.416116 ETOT(band)= -1.570727 trlgG= -2.241699 logG= -0.663980 TDE= -4.402305 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038413 tlogG= -0.626444 logG= -0.664856 Density= 3.416480 ETOT(band)= -1.570654 trlgG= -2.245291 logG= -0.664856 TDE= -4.405322 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038562 tlogG= -0.616700 logG= -0.655263 Density= 3.418340 ETOT(band)= -1.561982 trlgG= -2.225303 logG= -0.655263 TDE= -4.396466 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038639 tlogG= -0.617818 logG= -0.656457 Density= 3.419033 ETOT(band)= -1.562331 trlgG= -2.226085 logG= -0.656457 TDE= -4.396626 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038368 tlogG= -0.625155 logG= -0.663523 Density= 3.416702 ETOT(band)= -1.569671 trlgG= -2.241565 logG= -0.663523 TDE= -4.403113 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038420 tlogG= -0.624681 logG= -0.663100 Density= 3.416754 ETOT(band)= -1.569169 trlgG= -2.241530 logG= -0.663100 TDE= -4.403544 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038431 tlogG= -0.620029 logG= -0.658460 Density= 3.417233 ETOT(band)= -1.565455 trlgG= -2.231607 logG= -0.658460 TDE= -4.398657 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038323 tlogG= -0.625601 logG= -0.663924 Density= 3.416679 ETOT(band)= -1.570122 trlgG= -2.240997 logG= -0.663924 TDE= -4.402126 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038475 tlogG= -0.617786 logG= -0.656261 Density= 3.417587 ETOT(band)= -1.563472 trlgG= -2.227742 logG= -0.656261 TDE= -4.397284 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038524 tlogG= -0.617378 logG= -0.655902 Density= 3.417586 ETOT(band)= -1.563082 trlgG= -2.227642 logG= -0.655902 TDE= -4.397541 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038771 tlogG= -0.613401 logG= -0.652173 Density= 3.419465 ETOT(band)= -1.558341 trlgG= -2.221061 logG= -0.652173 TDE= -4.396244 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038538 tlogG= -0.619426 logG= -0.657964 Density= 3.417776 ETOT(band)= -1.564366 trlgG= -2.230564 logG= -0.657964 TDE= -4.398559 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038764 tlogG= -0.611157 logG= -0.649921 Density= 3.419586 ETOT(band)= -1.556521 trlgG= -2.216617 logG= -0.649921 TDE= -4.394152 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038781 tlogG= -0.612943 logG= -0.651724 Density= 3.419164 ETOT(band)= -1.558168 trlgG= -2.221139 logG= -0.651724 TDE= -4.396522 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038633 tlogG= -0.617463 logG= -0.656096 Density= 3.418765 ETOT(band)= -1.562149 trlgG= -2.226536 logG= -0.656096 TDE= -4.397218 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038451 tlogG= -0.622024 logG= -0.660475 Density= 3.417301 ETOT(band)= -1.566755 trlgG= -2.235478 logG= -0.660475 TDE= -4.400569 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038610 tlogG= -0.614148 logG= -0.652759 Density= 3.418632 ETOT(band)= -1.559736 trlgG= -2.221428 logG= -0.652759 TDE= -4.395336 logGD-logG0= -0.038632 tlogG= -0.617090 logG= -0.655721 Density= 3.418522 ETOT(band)= -1.561929 trlgG= -2.226650 logG= -0.655721 TDE= -4.397504 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038841 tlogG= -0.612798 logG= -0.651639 Density= 3.419670 ETOT(band)= -1.557587 trlgG= -2.220640 logG= -0.651639 TDE= -4.396526 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038309 tlogG= -0.625285 logG= -0.663594 Density= 3.416268 ETOT(band)= -1.570182 trlgG= -2.242142 logG= -0.663594 TDE= -4.403261 logGD-logG0= -0.038611 tlogG= -0.620433 logG= -0.659043 Density= 3.418994 ETOT(band)= -1.564440 trlgG= -2.229799 logG= -0.659043 TDE= -4.397722 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038483 tlogG= -0.619587 logG= -0.658070 Density= 3.417261 ETOT(band)= -1.565007 trlgG= -2.231223 logG= -0.658070 TDE= -4.398686 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038266 tlogG= -0.622974 logG= -0.661240 Density= 3.416539 ETOT(band)= -1.568396 trlgG= -2.236421 logG= -0.661240 TDE= -4.400117 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038387 tlogG= -0.623060 logG= -0.661447 Density= 3.416865 ETOT(band)= -1.567997 trlgG= -2.237373 logG= -0.661447 TDE= -4.401133 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038482 tlogG= -0.622633 logG= -0.661114 Density= 3.417937 ETOT(band)= -1.566927 trlgG= -2.234629 logG= -0.661114 TDE= -4.399607 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038492 tlogG= -0.620028 logG= -0.658520 Density= 3.417820 ETOT(band)= -1.564815 trlgG= -2.230464 logG= -0.658520 TDE= -4.397940 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038336 tlogG= -0.620655 logG= -0.658990 Density= 3.416847 ETOT(band)= -1.566398 trlgG= -2.232259 logG= -0.658990 TDE= -4.398459 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038677 tlogG= -0.615670 logG= -0.654347 Density= 3.418549 ETOT(band)= -1.560812 trlgG= -2.225155 logG= -0.654347 TDE= -4.397407 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038438 tlogG= -0.622602 logG= -0.661041 Density= 3.416924 ETOT(band)= -1.567512 trlgG= -2.237298 logG= -0.661041 TDE= -4.401512 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038314 tlogG= -0.622651 logG= -0.660965 Density= 3.416524 ETOT(band)= -1.568113 trlgG= -2.236546 logG= -0.660965 TDE= -4.400505 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039001 tlogG= -0.609644 logG= -0.648645 Density= 3.420599 ETOT(band)= -1.554301 trlgG= -2.215733 logG= -0.648645 TDE= -4.395381 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038317 tlogG= -0.627039 logG= -0.665356 Density= 3.416196 ETOT(band)= -1.571436 trlgG= -2.245641 logG= -0.665356 TDE= -4.404938 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 Sum of eigenvalues= -1021.85606735027 eV TrLogG= -1457.75506883161 eV Ratio to renormalize= 0.999685466491 rho-rho_expected= 0.051599725275 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 15) Finished k-point number 16 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 24) Finished k-point number 25 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800840864412626 0.802770036141176 0.802761870998514 0.800411644598230 0.803303827169595 0.802720884479114 0.801135291047725 0.802633834402071 0.802864634956566 0.801046531320162 0.802836108906030 0.802766543920083 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039189 tlogG= -0.614165 logG= -0.653354 Density= 3.419150 ETOT(band)= -1.559338 trlgG= -2.221666 logG= -0.653354 TDE= -4.395408 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039276 tlogG= -0.613576 logG= -0.652852 Density= 3.419437 ETOT(band)= -1.558556 trlgG= -2.221865 logG= -0.652852 TDE= -4.396345 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039042 tlogG= -0.622366 logG= -0.661408 Density= 3.418120 ETOT(band)= -1.566477 trlgG= -2.235385 logG= -0.661408 TDE= -4.400220 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038970 tlogG= -0.624799 logG= -0.663769 Density= 3.416998 ETOT(band)= -1.569150 trlgG= -2.242201 logG= -0.663769 TDE= -4.403748 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039056 tlogG= -0.622649 logG= -0.661706 Density= 3.418435 ETOT(band)= -1.566542 trlgG= -2.234876 logG= -0.661706 TDE= -4.399675 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038995 tlogG= -0.626458 logG= -0.665454 Density= 3.417037 ETOT(band)= -1.570227 trlgG= -2.245497 logG= -0.665454 TDE= -4.405392 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039005 tlogG= -0.618181 logG= -0.657186 Density= 3.418125 ETOT(band)= -1.563424 trlgG= -2.227751 logG= -0.657186 TDE= -4.396812 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038918 tlogG= -0.623516 logG= -0.662434 Density= 3.417375 ETOT(band)= -1.568035 trlgG= -2.237536 logG= -0.662434 TDE= -4.400729 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038952 tlogG= -0.620414 logG= -0.659366 Density= 3.417251 ETOT(band)= -1.565851 trlgG= -2.232439 logG= -0.659366 TDE= -4.398597 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038807 tlogG= -0.627611 logG= -0.666418 Density= 3.416485 ETOT(band)= -1.571742 trlgG= -2.245424 logG= -0.666418 TDE= -4.403897 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038895 tlogG= -0.620915 logG= -0.659810 Density= 3.417549 ETOT(band)= -1.566094 trlgG= -2.232639 logG= -0.659810 TDE= -4.398600 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038898 tlogG= -0.622667 logG= -0.661564 Density= 3.417074 ETOT(band)= -1.567693 trlgG= -2.236760 logG= -0.661564 TDE= -4.400575 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038815 tlogG= -0.625763 logG= -0.664578 Density= 3.416656 ETOT(band)= -1.570315 trlgG= -2.241919 logG= -0.664578 TDE= -4.402374 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039140 tlogG= -0.616717 logG= -0.655857 Density= 3.418854 ETOT(band)= -1.561587 trlgG= -2.225543 logG= -0.655857 TDE= -4.396537 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039082 tlogG= -0.620237 logG= -0.659319 Density= 3.418555 ETOT(band)= -1.564579 trlgG= -2.230863 logG= -0.659319 TDE= -4.398147 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039032 tlogG= -0.622040 logG= -0.661071 Density= 3.417842 ETOT(band)= -1.566340 trlgG= -2.235696 logG= -0.661071 TDE= -4.400639 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039101 tlogG= -0.619859 logG= -0.658961 Density= 3.418423 ETOT(band)= -1.564296 trlgG= -2.230983 logG= -0.658961 TDE= -4.398517 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039119 tlogG= -0.619442 logG= -0.658560 Density= 3.418323 ETOT(band)= -1.563947 trlgG= -2.230779 logG= -0.658560 TDE= -4.398630 logGD-logG0= -0.038961 tlogG= -0.620445 logG= -0.659406 Density= 3.417751 ETOT(band)= -1.565439 trlgG= -2.231836 logG= -0.659406 TDE= -4.398369 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039071 tlogG= -0.620044 logG= -0.659116 Density= 3.418355 ETOT(band)= -1.564405 trlgG= -2.230688 logG= -0.659116 TDE= -4.398010 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038948 tlogG= -0.625170 logG= -0.664119 Density= 3.417239 ETOT(band)= -1.569260 trlgG= -2.241787 logG= -0.664119 TDE= -4.403183 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038901 tlogG= -0.625617 logG= -0.664518 Density= 3.417201 ETOT(band)= -1.569722 trlgG= -2.241229 logG= -0.664518 TDE= -4.402194 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039197 tlogG= -0.616204 logG= -0.655401 Density= 3.418963 ETOT(band)= -1.560999 trlgG= -2.225675 logG= -0.655401 TDE= -4.397215 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039363 tlogG= -0.612959 logG= -0.652322 Density= 3.419722 ETOT(band)= -1.557742 trlgG= -2.221349 logG= -0.652322 TDE= -4.396594 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039340 tlogG= -0.611174 logG= -0.650513 Density= 3.420091 ETOT(band)= -1.556131 trlgG= -2.216864 logG= -0.650513 TDE= -4.394224 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039066 tlogG= -0.619603 logG= -0.658669 Density= 3.417820 ETOT(band)= -1.564580 trlgG= -2.231429 logG= -0.658669 TDE= -4.398756 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038952 tlogG= -0.622297 logG= -0.661249 Density= 3.417081 ETOT(band)= -1.567342 trlgG= -2.236857 logG= -0.661249 TDE= -4.400993 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039421 tlogG= -0.612815 logG= -0.652236 Density= 3.420217 ETOT(band)= -1.557168 trlgG= -2.220856 logG= -0.652236 TDE= -4.396598 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039123 tlogG= -0.620252 logG= -0.659375 Density= 3.418888 ETOT(band)= -1.564258 trlgG= -2.230378 logG= -0.659375 TDE= -4.397882 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039108 tlogG= -0.617394 logG= -0.656502 Density= 3.418146 ETOT(band)= -1.562654 trlgG= -2.227850 logG= -0.656502 TDE= -4.397614 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039349 tlogG= -0.613418 logG= -0.652767 Density= 3.419988 ETOT(band)= -1.557939 trlgG= -2.221295 logG= -0.652767 TDE= -4.396316 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039211 tlogG= -0.617106 logG= -0.656317 Density= 3.419062 ETOT(band)= -1.561516 trlgG= -2.226871 logG= -0.656317 TDE= -4.397576 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039021 tlogG= -0.622617 logG= -0.661638 Density= 3.417479 ETOT(band)= -1.567087 trlgG= -2.237507 logG= -0.661638 TDE= -4.401582 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039212 tlogG= -0.617835 logG= -0.657047 Density= 3.419521 ETOT(band)= -1.561953 trlgG= -2.226340 logG= -0.657047 TDE= -4.396695 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039209 tlogG= -0.617479 logG= -0.656689 Density= 3.419279 ETOT(band)= -1.561753 trlgG= -2.226776 logG= -0.656689 TDE= -4.397289 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039001 tlogG= -0.624696 logG= -0.663697 Density= 3.417305 ETOT(band)= -1.568747 trlgG= -2.241741 logG= -0.663697 TDE= -4.403614 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038968 tlogG= -0.623075 logG= -0.662044 Density= 3.417406 ETOT(band)= -1.567583 trlgG= -2.237592 logG= -0.662044 TDE= -4.401202 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038899 tlogG= -0.627054 logG= -0.665953 Density= 3.416743 ETOT(band)= -1.571018 trlgG= -2.245856 logG= -0.665953 TDE= -4.405008 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038920 tlogG= -0.620670 logG= -0.659590 Density= 3.417394 ETOT(band)= -1.565982 trlgG= -2.232474 logG= -0.659590 TDE= -4.398527 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039058 tlogG= -0.617802 logG= -0.656859 Density= 3.418133 ETOT(band)= -1.563055 trlgG= -2.227961 logG= -0.656859 TDE= -4.397356 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039279 tlogG= -0.614005 logG= -0.653284 Density= 3.419781 ETOT(band)= -1.558676 trlgG= -2.221035 logG= -0.653284 TDE= -4.395368 logGD-logG0= -0.039183 tlogG= -0.620450 logG= -0.659632 Density= 3.419473 ETOT(band)= -1.564069 trlgG= -2.230059 logG= -0.659632 TDE= -4.397789 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039013 tlogG= -0.620044 logG= -0.659058 Density= 3.417778 ETOT(band)= -1.565039 trlgG= -2.231824 logG= -0.659058 TDE= -4.398727 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039258 tlogG= -0.615686 logG= -0.654945 Density= 3.419103 ETOT(band)= -1.560389 trlgG= -2.225367 logG= -0.654945 TDE= -4.397479 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=116 logGD-logG0= -0.039582 tlogG= -0.609661 logG= -0.649243 Density= 3.421149 ETOT(band)= -1.553879 trlgG= -2.215947 logG= -0.649243 TDE= -4.395453 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039461 tlogG= -0.610455 logG= -0.649915 Density= 3.420609 ETOT(band)= -1.555055 trlgG= -2.216867 logG= -0.649915 TDE= -4.395253 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038891 tlogG= -0.625300 logG= -0.664192 Density= 3.416818 ETOT(band)= -1.569762 trlgG= -2.242355 logG= -0.664192 TDE= -4.403331 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038849 tlogG= -0.622990 logG= -0.661839 Density= 3.417081 ETOT(band)= -1.567984 trlgG= -2.236639 logG= -0.661839 TDE= -4.400184 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 Sum of eigenvalues= -1021.58853180125 eV TrLogG= -1458.19017253535 eV Ratio to renormalize= 0.999529098525 rho-rho_expected= 0.077264225726 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 17) Finished k-point number 18 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 44) Finished k-point number 45 1 with #bands= 107 47) Finished k-point number 48 1 with #bands= 104 29) Finished k-point number 30 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 1) Finished k-point number 2 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800616758950226 0.802596485510397 0.802461251248904 0.800187125366441 0.803131565695701 0.802420160967472 0.800911523681090 0.802459848154863 0.802564766553669 0.800822756826977 0.802661813229933 0.802466883085026 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039011 tlogG= -0.619623 logG= -0.658635 Density= 3.417639 ETOT(band)= -1.564191 trlgG= -2.231001 logG= -0.658635 TDE= -4.398213 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038898 tlogG= -0.622316 logG= -0.661214 Density= 3.416901 ETOT(band)= -1.566951 trlgG= -2.236419 logG= -0.661214 TDE= -4.400441 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038898 tlogG= -0.620433 logG= -0.659331 Density= 3.417072 ETOT(band)= -1.565459 trlgG= -2.232021 logG= -0.659331 TDE= -4.398067 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038753 tlogG= -0.627630 logG= -0.666383 Density= 3.416309 ETOT(band)= -1.571349 trlgG= -2.244989 logG= -0.666383 TDE= -4.403352 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.038907 tlogG= -0.620462 logG= -0.659369 Density= 3.417575 ETOT(band)= -1.565044 trlgG= -2.231412 logG= -0.659369 TDE= -4.397836 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038915 tlogG= -0.624820 logG= -0.663735 Density= 3.416817 ETOT(band)= -1.568762 trlgG= -2.241766 logG= -0.663735 TDE= -4.403197 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038841 tlogG= -0.620931 logG= -0.659772 Density= 3.417373 ETOT(band)= -1.565697 trlgG= -2.232237 logG= -0.659772 TDE= -4.398091 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039221 tlogG= -0.613597 logG= -0.652818 Density= 3.419254 ETOT(band)= -1.558167 trlgG= -2.221390 logG= -0.652818 TDE= -4.395753 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038967 tlogG= -0.622638 logG= -0.661605 Density= 3.417298 ETOT(band)= -1.566698 trlgG= -2.237073 logG= -0.661605 TDE= -4.401032 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.039064 tlogG= -0.619462 logG= -0.658527 Density= 3.418142 ETOT(band)= -1.563558 trlgG= -2.230334 logG= -0.658527 TDE= -4.398070 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038951 tlogG= -0.618198 logG= -0.657149 Density= 3.417948 ETOT(band)= -1.563029 trlgG= -2.227306 logG= -0.657149 TDE= -4.396258 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038978 tlogG= -0.622059 logG= -0.661037 Density= 3.417664 ETOT(band)= -1.565948 trlgG= -2.235258 logG= -0.661037 TDE= -4.400088 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039143 tlogG= -0.616224 logG= -0.655366 Density= 3.418782 ETOT(band)= -1.560609 trlgG= -2.225199 logG= -0.655366 TDE= -4.396624 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038848 tlogG= -0.625634 logG= -0.664482 Density= 3.417027 ETOT(band)= -1.569326 trlgG= -2.240805 logG= -0.664482 TDE= -4.401663 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039029 tlogG= -0.620254 logG= -0.659283 Density= 3.418381 ETOT(band)= -1.564182 trlgG= -2.230431 logG= -0.659283 TDE= -4.397608 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039295 tlogG= -0.613439 logG= -0.652733 Density= 3.419806 ETOT(band)= -1.557549 trlgG= -2.220820 logG= -0.652733 TDE= -4.395725 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038864 tlogG= -0.623534 logG= -0.662398 Density= 3.417200 ETOT(band)= -1.567639 trlgG= -2.237116 logG= -0.662398 TDE= -4.400201 logGD-logG0= -0.038941 tlogG= -0.626480 logG= -0.665421 Density= 3.416855 ETOT(band)= -1.569840 trlgG= -2.245065 logG= -0.665421 TDE= -4.404841 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038844 tlogG= -0.622685 logG= -0.661528 Density= 3.416897 ETOT(band)= -1.567299 trlgG= -2.236324 logG= -0.661528 TDE= -4.400029 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038988 tlogG= -0.622384 logG= -0.661372 Density= 3.417945 ETOT(band)= -1.566081 trlgG= -2.234945 logG= -0.661372 TDE= -4.399672 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038845 tlogG= -0.627074 logG= -0.665919 Density= 3.416564 ETOT(band)= -1.570627 trlgG= -2.245419 logG= -0.665919 TDE= -4.404458 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039048 tlogG= -0.619878 logG= -0.658925 Density= 3.418246 ETOT(band)= -1.563902 trlgG= -2.230546 logG= -0.658925 TDE= -4.397969 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039003 tlogG= -0.622665 logG= -0.661668 Density= 3.418264 ETOT(band)= -1.566142 trlgG= -2.234458 logG= -0.661668 TDE= -4.399152 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039086 tlogG= -0.616735 logG= -0.655821 Density= 3.418677 ETOT(band)= -1.561193 trlgG= -2.225085 logG= -0.655821 TDE= -4.395968 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039286 tlogG= -0.611195 logG= -0.650480 Density= 3.419910 ETOT(band)= -1.555741 trlgG= -2.216392 logG= -0.650480 TDE= -4.393636 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039070 tlogG= -0.620268 logG= -0.659338 Density= 3.418714 ETOT(band)= -1.563859 trlgG= -2.229955 logG= -0.659338 TDE= -4.397352 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039135 tlogG= -0.614184 logG= -0.653319 Density= 3.418971 ETOT(band)= -1.558946 trlgG= -2.221201 logG= -0.653319 TDE= -4.394830 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038947 tlogG= -0.624717 logG= -0.663664 Density= 3.417125 ETOT(band)= -1.568358 trlgG= -2.241306 logG= -0.663664 TDE= -4.403063 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039017 tlogG= -0.620063 logG= -0.659080 Density= 3.418177 ETOT(band)= -1.564013 trlgG= -2.230257 logG= -0.659080 TDE= -4.397468 logGD-logG0= -0.038837 tlogG= -0.625320 logG= -0.664157 Density= 3.416640 ETOT(band)= -1.569370 trlgG= -2.241917 logG= -0.664157 TDE= -4.402780 logGD-logG0= -0.039159 tlogG= -0.617852 logG= -0.657011 Density= 3.419348 ETOT(band)= -1.561554 trlgG= -2.225895 logG= -0.657011 TDE= -4.396144 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038761 tlogG= -0.625781 logG= -0.664542 Density= 3.416480 ETOT(band)= -1.569920 trlgG= -2.241499 logG= -0.664542 TDE= -4.401845 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039309 tlogG= -0.612981 logG= -0.652290 Density= 3.419536 ETOT(band)= -1.557357 trlgG= -2.220878 logG= -0.652290 TDE= -4.396002 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038894 tlogG= -0.625189 logG= -0.664084 Density= 3.417061 ETOT(band)= -1.568868 trlgG= -2.241349 logG= -0.664084 TDE= -4.402633 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039054 tlogG= -0.617414 logG= -0.656467 Density= 3.417965 ETOT(band)= -1.562265 trlgG= -2.227384 logG= -0.656467 TDE= -4.397032 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038959 tlogG= -0.620063 logG= -0.659023 Density= 3.417600 ETOT(band)= -1.564646 trlgG= -2.231399 logG= -0.659023 TDE= -4.398190 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039157 tlogG= -0.617126 logG= -0.656283 Density= 3.418881 ETOT(band)= -1.561126 trlgG= -2.226411 logG= -0.656283 TDE= -4.397000 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039406 tlogG= -0.610477 logG= -0.649884 Density= 3.420423 ETOT(band)= -1.554670 trlgG= -2.216397 logG= -0.649884 TDE= -4.394661 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039366 tlogG= -0.612837 logG= -0.652203 Density= 3.420031 ETOT(band)= -1.556783 trlgG= -2.220387 logG= -0.652203 TDE= -4.396007 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039204 tlogG= -0.615708 logG= -0.654912 Density= 3.418920 ETOT(band)= -1.560002 trlgG= -2.224895 logG= -0.654912 TDE= -4.396888 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038914 tlogG= -0.623094 logG= -0.662009 Density= 3.417229 ETOT(band)= -1.567190 trlgG= -2.237159 logG= -0.662009 TDE= -4.400657 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038795 tlogG= -0.623006 logG= -0.661802 Density= 3.416905 ETOT(band)= -1.567588 trlgG= -2.236234 logG= -0.661802 TDE= -4.399671 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039225 tlogG= -0.614024 logG= -0.653249 Density= 3.419603 ETOT(band)= -1.558283 trlgG= -2.220567 logG= -0.653249 TDE= -4.394788 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039129 tlogG= -0.620465 logG= -0.659594 Density= 3.419304 ETOT(band)= -1.563666 trlgG= -2.229649 logG= -0.659594 TDE= -4.397277 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038866 tlogG= -0.620687 logG= -0.659553 Density= 3.417217 ETOT(band)= -1.565587 trlgG= -2.232055 logG= -0.659553 TDE= -4.397999 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039004 tlogG= -0.617820 logG= -0.656824 Density= 3.417954 ETOT(band)= -1.562663 trlgG= -2.227496 logG= -0.656824 TDE= -4.396779 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039526 tlogG= -0.609685 logG= -0.649212 Density= 3.420960 ETOT(band)= -1.553498 trlgG= -2.215483 logG= -0.649212 TDE= -4.394863 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039156 tlogG= -0.617497 logG= -0.656653 Density= 3.419103 ETOT(band)= -1.561359 trlgG= -2.226313 logG= -0.656653 TDE= -4.396716 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1021.33234320372 eV TrLogG= -1457.80496396578 eV Ratio to renormalize= 0.999581298217 rho-rho_expected= 0.068695855482 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 28) Finished k-point number 29 1 with #bands= 107 19) Finished k-point number 20 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 12) Finished k-point number 13 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800595537768410 0.802585245792863 0.802435528288696 0.800165780658756 0.803119714641705 0.802395257911759 0.800890368704942 0.802448716758580 0.802539056512772 0.800801752254817 0.802650396358447 0.802441285886492 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038748 tlogG= -0.627625 logG= -0.666373 Density= 3.416292 ETOT(band)= -1.571313 trlgG= -2.244943 logG= -0.666373 TDE= -4.403302 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039137 tlogG= -0.616218 logG= -0.655355 Density= 3.418766 ETOT(band)= -1.560572 trlgG= -2.225149 logG= -0.655355 TDE= -4.396571 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038859 tlogG= -0.623528 logG= -0.662387 Density= 3.417184 ETOT(band)= -1.567603 trlgG= -2.237071 logG= -0.662387 TDE= -4.400153 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039216 tlogG= -0.613591 logG= -0.652807 Density= 3.419238 ETOT(band)= -1.558131 trlgG= -2.221339 logG= -0.652807 TDE= -4.395700 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039154 tlogG= -0.617846 logG= -0.656999 Density= 3.419332 ETOT(band)= -1.561517 trlgG= -2.225847 logG= -0.656999 TDE= -4.396093 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038962 tlogG= -0.622633 logG= -0.661594 Density= 3.417282 ETOT(band)= -1.566662 trlgG= -2.237025 logG= -0.661594 TDE= -4.400982 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039042 tlogG= -0.619872 logG= -0.658914 Density= 3.418230 ETOT(band)= -1.563865 trlgG= -2.230499 logG= -0.658914 TDE= -4.397919 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038983 tlogG= -0.622378 logG= -0.661361 Density= 3.417929 ETOT(band)= -1.566045 trlgG= -2.234897 logG= -0.661361 TDE= -4.399622 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038843 tlogG= -0.625629 logG= -0.664472 Density= 3.417010 ETOT(band)= -1.569290 trlgG= -2.240760 logG= -0.664472 TDE= -4.401614 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038889 tlogG= -0.625184 logG= -0.664073 Density= 3.417045 ETOT(band)= -1.568832 trlgG= -2.241301 logG= -0.664073 TDE= -4.402583 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038836 tlogG= -0.620925 logG= -0.659760 Density= 3.417357 ETOT(band)= -1.565660 trlgG= -2.232192 logG= -0.659760 TDE= -4.398044 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038910 tlogG= -0.624814 logG= -0.663725 Density= 3.416801 ETOT(band)= -1.568726 trlgG= -2.241718 logG= -0.663725 TDE= -4.403147 logGD-logG0= -0.038893 tlogG= -0.622311 logG= -0.661203 Density= 3.416885 ETOT(band)= -1.566915 trlgG= -2.236371 logG= -0.661203 TDE= -4.400390 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039024 tlogG= -0.620248 logG= -0.659272 Density= 3.418366 ETOT(band)= -1.564145 trlgG= -2.230384 logG= -0.659272 TDE= -4.397559 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039401 tlogG= -0.610471 logG= -0.649872 Density= 3.420407 ETOT(band)= -1.554633 trlgG= -2.216345 logG= -0.649872 TDE= -4.394607 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039130 tlogG= -0.614178 logG= -0.653308 Density= 3.418955 ETOT(band)= -1.558909 trlgG= -2.221151 logG= -0.653308 TDE= -4.394777 logGD-logG0= -0.038936 tlogG= -0.626475 logG= -0.665411 Density= 3.416838 ETOT(band)= -1.569805 trlgG= -2.245018 logG= -0.665411 TDE= -4.404791 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038902 tlogG= -0.620456 logG= -0.659358 Density= 3.417559 ETOT(band)= -1.565007 trlgG= -2.231365 logG= -0.659358 TDE= -4.397787 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038893 tlogG= -0.620427 logG= -0.659320 Density= 3.417055 ETOT(band)= -1.565422 trlgG= -2.231975 logG= -0.659320 TDE= -4.398018 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039081 tlogG= -0.616729 logG= -0.655810 Density= 3.418660 ETOT(band)= -1.561156 trlgG= -2.225036 logG= -0.655810 TDE= -4.395916 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039006 tlogG= -0.619617 logG= -0.658624 Density= 3.417622 ETOT(band)= -1.564154 trlgG= -2.230954 logG= -0.658624 TDE= -4.398163 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038861 tlogG= -0.620681 logG= -0.659542 Density= 3.417201 ETOT(band)= -1.565550 trlgG= -2.232008 logG= -0.659542 TDE= -4.397950 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039059 tlogG= -0.619456 logG= -0.658516 Density= 3.418126 ETOT(band)= -1.563521 trlgG= -2.230286 logG= -0.658516 TDE= -4.398019 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038998 tlogG= -0.622659 logG= -0.661657 Density= 3.418248 ETOT(band)= -1.566105 trlgG= -2.234412 logG= -0.661657 TDE= -4.399104 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038838 tlogG= -0.622679 logG= -0.661517 Density= 3.416881 ETOT(band)= -1.567263 trlgG= -2.236277 logG= -0.661517 TDE= -4.399979 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.039521 tlogG= -0.609679 logG= -0.649201 Density= 3.420943 ETOT(band)= -1.553461 trlgG= -2.215432 logG= -0.649201 TDE= -4.394809 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039361 tlogG= -0.612831 logG= -0.652192 Density= 3.420015 ETOT(band)= -1.556747 trlgG= -2.220336 logG= -0.652192 TDE= -4.395954 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038909 tlogG= -0.623089 logG= -0.661998 Density= 3.417212 ETOT(band)= -1.567154 trlgG= -2.237112 logG= -0.661998 TDE= -4.400607 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038973 tlogG= -0.622053 logG= -0.661026 Density= 3.417647 ETOT(band)= -1.565912 trlgG= -2.235210 logG= -0.661026 TDE= -4.400037 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038756 tlogG= -0.625775 logG= -0.664531 Density= 3.416464 ETOT(band)= -1.569884 trlgG= -2.241454 logG= -0.664531 TDE= -4.401797 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038954 tlogG= -0.620057 logG= -0.659012 Density= 3.417583 ETOT(band)= -1.564610 trlgG= -2.231352 logG= -0.659012 TDE= -4.398140 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038999 tlogG= -0.617814 logG= -0.656813 Density= 3.417938 ETOT(band)= -1.562626 trlgG= -2.227446 logG= -0.656813 TDE= -4.396726 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039199 tlogG= -0.615702 logG= -0.654901 Density= 3.418903 ETOT(band)= -1.559966 trlgG= -2.224844 logG= -0.654901 TDE= -4.396834 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039152 tlogG= -0.617120 logG= -0.656272 Density= 3.418864 ETOT(band)= -1.561089 trlgG= -2.226361 logG= -0.656272 TDE= -4.396948 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039150 tlogG= -0.617491 logG= -0.656642 Density= 3.419087 ETOT(band)= -1.561322 trlgG= -2.226263 logG= -0.656642 TDE= -4.396664 logGD-logG0= -0.038946 tlogG= -0.618192 logG= -0.657138 Density= 3.417932 ETOT(band)= -1.562992 trlgG= -2.227258 logG= -0.657138 TDE= -4.396207 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039281 tlogG= -0.611189 logG= -0.650469 Density= 3.419893 ETOT(band)= -1.555705 trlgG= -2.216341 logG= -0.650469 TDE= -4.393582 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039012 tlogG= -0.620057 logG= -0.659069 Density= 3.418161 ETOT(band)= -1.563976 trlgG= -2.230210 logG= -0.659069 TDE= -4.397418 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039289 tlogG= -0.613433 logG= -0.652722 Density= 3.419790 ETOT(band)= -1.557512 trlgG= -2.220768 logG= -0.652722 TDE= -4.395671 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039124 tlogG= -0.620458 logG= -0.659583 Density= 3.419288 ETOT(band)= -1.563628 trlgG= -2.229603 logG= -0.659583 TDE= -4.397230 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038832 tlogG= -0.625314 logG= -0.664146 Density= 3.416624 ETOT(band)= -1.569334 trlgG= -2.241870 logG= -0.664146 TDE= -4.402730 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039049 tlogG= -0.617408 logG= -0.656456 Density= 3.417948 ETOT(band)= -1.562228 trlgG= -2.227334 logG= -0.656456 TDE= -4.396979 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038790 tlogG= -0.623001 logG= -0.661791 Density= 3.416889 ETOT(band)= -1.567551 trlgG= -2.236190 logG= -0.661791 TDE= -4.399624 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038840 tlogG= -0.627069 logG= -0.665909 Density= 3.416548 ETOT(band)= -1.570592 trlgG= -2.245373 logG= -0.665909 TDE= -4.404408 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039064 tlogG= -0.620262 logG= -0.659327 Density= 3.418699 ETOT(band)= -1.563822 trlgG= -2.229908 logG= -0.659327 TDE= -4.397304 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038942 tlogG= -0.624711 logG= -0.663653 Density= 3.417108 ETOT(band)= -1.568322 trlgG= -2.241259 logG= -0.663653 TDE= -4.403013 logGD-logG0= -0.039220 tlogG= -0.614018 logG= -0.653238 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 Density= 3.419587 ETOT(band)= -1.558246 trlgG= -2.220516 logG= -0.653238 TDE= -4.394735 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039304 tlogG= -0.612976 logG= -0.652279 Density= 3.419519 ETOT(band)= -1.557320 trlgG= -2.220827 logG= -0.652279 TDE= -4.395949 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 Sum of eigenvalues= -1021.30854480905 eV TrLogG= -1457.76473118919 eV Ratio to renormalize= 0.999586090145 rho-rho_expected= 0.067909324533 nargs= 1 argi=dmft2.def 24) Finished k-point number 25 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 11) Finished k-point number 12 1 with #bands= 107 35) Finished k-point number 36 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 12) Finished k-point number 13 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 47) Finished k-point number 48 1 with #bands= 104 1) Finished k-point number 2 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800566229591753 0.802572422910560 0.802403103153819 0.800136282799798 0.803106603833736 0.802363414210865 0.800861048638185 0.802436117173497 0.802506695866154 0.800772678267323 0.802637290066954 0.802409138476684 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038904 tlogG= -0.624812 logG= -0.663715 Density= 3.416779 ETOT(band)= -1.568690 trlgG= -2.241672 logG= -0.663715 TDE= -4.403092 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039209 tlogG= -0.613587 logG= -0.652797 Density= 3.419217 ETOT(band)= -1.558093 trlgG= -2.221287 logG= -0.652797 TDE= -4.395641 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038886 tlogG= -0.620423 logG= -0.659309 Density= 3.417034 ETOT(band)= -1.565385 trlgG= -2.231929 logG= -0.659309 TDE= -4.397965 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038883 tlogG= -0.625181 logG= -0.664064 Density= 3.417024 ETOT(band)= -1.568795 trlgG= -2.241255 logG= -0.664064 TDE= -4.402528 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039036 tlogG= -0.619868 logG= -0.658904 Density= 3.418209 ETOT(band)= -1.563828 trlgG= -2.230452 logG= -0.658904 TDE= -4.397865 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039000 tlogG= -0.619614 logG= -0.658614 Density= 3.417601 ETOT(band)= -1.564118 trlgG= -2.230908 logG= -0.658614 TDE= -4.398109 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.038929 tlogG= -0.626473 logG= -0.665402 Density= 3.416817 ETOT(band)= -1.569769 trlgG= -2.244972 logG= -0.665402 TDE= -4.404737 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038991 tlogG= -0.622656 logG= -0.661647 Density= 3.418228 ETOT(band)= -1.566068 trlgG= -2.234367 logG= -0.661647 TDE= -4.399053 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039074 tlogG= -0.616726 logG= -0.655800 Density= 3.418640 ETOT(band)= -1.561118 trlgG= -2.224987 logG= -0.655800 TDE= -4.395861 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038742 tlogG= -0.627622 logG= -0.666364 Density= 3.416271 ETOT(band)= -1.571277 trlgG= -2.244897 logG= -0.666364 TDE= -4.403249 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.039395 tlogG= -0.610467 logG= -0.649862 Density= 3.420386 ETOT(band)= -1.554595 trlgG= -2.216294 logG= -0.649862 TDE= -4.394549 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038886 tlogG= -0.622307 logG= -0.661193 Density= 3.416864 ETOT(band)= -1.566878 trlgG= -2.236324 logG= -0.661193 TDE= -4.400335 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039131 tlogG= -0.616214 logG= -0.655345 Density= 3.418745 ETOT(band)= -1.560535 trlgG= -2.225098 logG= -0.655345 TDE= -4.396513 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038976 tlogG= -0.622375 logG= -0.661351 Density= 3.417908 ETOT(band)= -1.566007 trlgG= -2.234850 logG= -0.661351 TDE= -4.399567 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038825 tlogG= -0.625311 logG= -0.664137 Density= 3.416603 ETOT(band)= -1.569298 trlgG= -2.241823 logG= -0.664137 TDE= -4.402675 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039274 tlogG= -0.611185 logG= -0.650459 Density= 3.419873 ETOT(band)= -1.555667 trlgG= -2.216290 logG= -0.650459 TDE= -4.393524 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038829 tlogG= -0.620921 logG= -0.659750 Density= 3.417337 ETOT(band)= -1.565622 trlgG= -2.232148 logG= -0.659750 TDE= -4.397994 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039017 tlogG= -0.620244 logG= -0.659262 Density= 3.418345 ETOT(band)= -1.564108 trlgG= -2.230337 logG= -0.659262 TDE= -4.397506 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038895 tlogG= -0.620453 logG= -0.659348 Density= 3.417539 ETOT(band)= -1.564970 trlgG= -2.231319 logG= -0.659348 TDE= -4.397734 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038833 tlogG= -0.627067 logG= -0.665899 Density= 3.416526 ETOT(band)= -1.570556 trlgG= -2.245327 logG= -0.665899 TDE= -4.404353 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038836 tlogG= -0.625626 logG= -0.664462 Density= 3.416990 ETOT(band)= -1.569253 trlgG= -2.240715 logG= -0.664462 TDE= -4.401562 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038966 tlogG= -0.622050 logG= -0.661016 Density= 3.417627 ETOT(band)= -1.565875 trlgG= -2.235163 logG= -0.661016 TDE= -4.399982 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039058 tlogG= -0.620258 logG= -0.659316 Density= 3.418679 ETOT(band)= -1.563784 trlgG= -2.229862 logG= -0.659316 TDE= -4.397251 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038853 tlogG= -0.623525 logG= -0.662377 Density= 3.417163 ETOT(band)= -1.567566 trlgG= -2.237026 logG= -0.662377 TDE= -4.400101 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039053 tlogG= -0.619453 logG= -0.658506 Density= 3.418105 ETOT(band)= -1.563484 trlgG= -2.230238 logG= -0.658506 TDE= -4.397964 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038955 tlogG= -0.622630 logG= -0.661585 Density= 3.417261 ETOT(band)= -1.566626 trlgG= -2.236979 logG= -0.661585 TDE= -4.400927 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.039297 tlogG= -0.612972 logG= -0.652269 Density= 3.419498 ETOT(band)= -1.557283 trlgG= -2.220776 logG= -0.652269 TDE= -4.395891 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038939 tlogG= -0.618188 logG= -0.657127 Density= 3.417911 ETOT(band)= -1.562954 trlgG= -2.227210 logG= -0.657127 TDE= -4.396153 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039354 tlogG= -0.612828 logG= -0.652182 Density= 3.419994 ETOT(band)= -1.556709 trlgG= -2.220285 logG= -0.652182 TDE= -4.395896 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038935 tlogG= -0.624709 logG= -0.663644 Density= 3.417087 ETOT(band)= -1.568286 trlgG= -2.241213 logG= -0.663644 TDE= -4.402958 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038832 tlogG= -0.622676 logG= -0.661507 Density= 3.416860 ETOT(band)= -1.567226 trlgG= -2.236230 logG= -0.661507 TDE= -4.399924 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039006 tlogG= -0.620053 logG= -0.659059 Density= 3.418140 ETOT(band)= -1.563938 trlgG= -2.230163 logG= -0.659059 TDE= -4.397364 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038749 tlogG= -0.625773 logG= -0.664522 Density= 3.416443 ETOT(band)= -1.569848 trlgG= -2.241410 logG= -0.664522 TDE= -4.401745 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039123 tlogG= -0.614174 logG= -0.653297 Density= 3.418934 ETOT(band)= -1.558871 trlgG= -2.221101 logG= -0.653297 TDE= -4.394721 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039118 tlogG= -0.620455 logG= -0.659572 Density= 3.419269 ETOT(band)= -1.563590 trlgG= -2.229558 logG= -0.659572 TDE= -4.397180 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039145 tlogG= -0.617116 logG= -0.656262 Density= 3.418844 ETOT(band)= -1.561052 trlgG= -2.226311 logG= -0.656262 TDE= -4.396891 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039283 tlogG= -0.613429 logG= -0.652712 Density= 3.419770 ETOT(band)= -1.557475 trlgG= -2.220717 logG= -0.652712 TDE= -4.395613 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039192 tlogG= -0.615698 logG= -0.654890 Density= 3.418882 ETOT(band)= -1.559928 trlgG= -2.224793 logG= -0.654890 TDE= -4.396777 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039515 tlogG= -0.609676 logG= -0.649190 Density= 3.420922 ETOT(band)= -1.553424 trlgG= -2.215381 logG= -0.649190 TDE= -4.394751 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039144 tlogG= -0.617488 logG= -0.656632 Density= 3.419067 ETOT(band)= -1.561284 trlgG= -2.226212 logG= -0.656632 TDE= -4.396607 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039147 tlogG= -0.617842 logG= -0.656989 Density= 3.419313 ETOT(band)= -1.561479 trlgG= -2.225799 logG= -0.656989 TDE= -4.396040 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039042 tlogG= -0.617404 logG= -0.656446 Density= 3.417928 ETOT(band)= -1.562191 trlgG= -2.227284 logG= -0.656446 TDE= -4.396922 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038992 tlogG= -0.617810 logG= -0.656802 Density= 3.417917 ETOT(band)= -1.562589 trlgG= -2.227396 logG= -0.656802 TDE= -4.396669 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038783 tlogG= -0.622997 logG= -0.661781 Density= 3.416868 ETOT(band)= -1.567514 trlgG= -2.236146 logG= -0.661781 TDE= -4.399574 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038948 tlogG= -0.620054 logG= -0.659002 Density= 3.417563 ETOT(band)= -1.564573 trlgG= -2.231306 logG= -0.659002 TDE= -4.398087 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038903 tlogG= -0.623086 logG= -0.661988 Density= 3.417191 ETOT(band)= -1.567118 trlgG= -2.237066 logG= -0.661988 TDE= -4.400553 logGD-logG0= -0.038854 tlogG= -0.620678 logG= -0.659531 Density= 3.417180 ETOT(band)= -1.565512 trlgG= -2.231962 logG= -0.659531 TDE= -4.397897 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039214 tlogG= -0.614014 logG= -0.653227 Density= 3.419567 ETOT(band)= -1.558208 trlgG= -2.220466 logG= -0.653227 TDE= -4.394678 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Sum of eigenvalues= -1021.28426906484 eV TrLogG= -1457.72242012494 eV Ratio to renormalize= 0.999592131290 rho-rho_expected= 0.066917762133 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 15) Finished k-point number 16 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 23) Finished k-point number 24 1 with #bands= 107 29) Finished k-point number 30 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 13) Finished k-point number 14 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800588403183766 0.802598687953975 0.802429994550963 0.800158381563015 0.803133028990966 0.802390032610812 0.800883217432415 0.802462392175747 0.802533498623043 0.800794539159549 0.802663764479876 0.802435933855528 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038834 tlogG= -0.620919 logG= -0.659753 Density= 3.417355 ETOT(band)= -1.565667 trlgG= -2.232194 logG= -0.659753 TDE= -4.398051 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038945 tlogG= -0.618186 logG= -0.657131 Density= 3.417930 ETOT(band)= -1.562999 trlgG= -2.227260 logG= -0.657131 TDE= -4.396215 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038901 tlogG= -0.620450 logG= -0.659351 Density= 3.417557 ETOT(band)= -1.565014 trlgG= -2.231367 logG= -0.659351 TDE= -4.397794 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038755 tlogG= -0.625770 logG= -0.664525 Density= 3.416461 ETOT(band)= -1.569893 trlgG= -2.241457 logG= -0.664525 TDE= -4.401804 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038858 tlogG= -0.623522 logG= -0.662381 Density= 3.417182 ETOT(band)= -1.567611 trlgG= -2.237073 logG= -0.662381 TDE= -4.400160 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038982 tlogG= -0.622372 logG= -0.661354 Density= 3.417927 ETOT(band)= -1.566052 trlgG= -2.234898 logG= -0.661354 TDE= -4.399628 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039080 tlogG= -0.616723 logG= -0.655803 Density= 3.418659 ETOT(band)= -1.561163 trlgG= -2.225038 logG= -0.655803 TDE= -4.395925 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038953 tlogG= -0.620052 logG= -0.659005 Density= 3.417582 ETOT(band)= -1.564617 trlgG= -2.231353 logG= -0.659005 TDE= -4.398147 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038842 tlogG= -0.625624 logG= -0.664465 Density= 3.417008 ETOT(band)= -1.569298 trlgG= -2.240762 logG= -0.664465 TDE= -4.401621 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038934 tlogG= -0.626470 logG= -0.665405 Density= 3.416836 ETOT(band)= -1.569813 trlgG= -2.245021 logG= -0.665405 TDE= -4.404798 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039063 tlogG= -0.620256 logG= -0.659320 Density= 3.418697 ETOT(band)= -1.563830 trlgG= -2.229909 logG= -0.659320 TDE= -4.397310 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038909 tlogG= -0.624809 logG= -0.663718 Density= 3.416798 ETOT(band)= -1.568735 trlgG= -2.241721 logG= -0.663718 TDE= -4.403153 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038747 tlogG= -0.627620 logG= -0.666367 Density= 3.416290 ETOT(band)= -1.571322 trlgG= -2.244946 logG= -0.666367 TDE= -4.403309 logGD-logG0= -0.039023 tlogG= -0.620242 logG= -0.659265 Density= 3.418364 ETOT(band)= -1.564153 trlgG= -2.230385 logG= -0.659265 TDE= -4.397566 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038837 tlogG= -0.622673 logG= -0.661510 Density= 3.416878 ETOT(band)= -1.567271 trlgG= -2.236278 logG= -0.661510 TDE= -4.399985 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039041 tlogG= -0.619866 logG= -0.658907 Density= 3.418228 ETOT(band)= -1.563873 trlgG= -2.230501 logG= -0.658907 TDE= -4.397926 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039136 tlogG= -0.616212 logG= -0.655348 Density= 3.418765 ETOT(band)= -1.560579 trlgG= -2.225151 logG= -0.655348 TDE= -4.396580 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039005 tlogG= -0.619612 logG= -0.658617 Density= 3.417620 ETOT(band)= -1.564162 trlgG= -2.230956 logG= -0.658617 TDE= -4.398169 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.039280 tlogG= -0.611182 logG= -0.650461 Density= 3.419893 ETOT(band)= -1.555710 trlgG= -2.216342 logG= -0.650461 TDE= -4.393590 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039215 tlogG= -0.613585 logG= -0.652800 Density= 3.419237 ETOT(band)= -1.558137 trlgG= -2.221341 logG= -0.652800 TDE= -4.395708 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038892 tlogG= -0.620421 logG= -0.659313 Density= 3.417053 ETOT(band)= -1.565429 trlgG= -2.231975 logG= -0.659313 TDE= -4.398024 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038960 tlogG= -0.622627 logG= -0.661588 Density= 3.417280 ETOT(band)= -1.566670 trlgG= -2.237027 logG= -0.661588 TDE= -4.400988 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.038892 tlogG= -0.622305 logG= -0.661196 Density= 3.416882 ETOT(band)= -1.566923 trlgG= -2.236373 logG= -0.661196 TDE= -4.400396 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039058 tlogG= -0.619451 logG= -0.658509 Density= 3.418124 ETOT(band)= -1.563528 trlgG= -2.230288 logG= -0.658509 TDE= -4.398026 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038888 tlogG= -0.625179 logG= -0.664067 Density= 3.417043 ETOT(band)= -1.568840 trlgG= -2.241303 logG= -0.664067 TDE= -4.402590 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038838 tlogG= -0.627064 logG= -0.665902 Density= 3.416545 ETOT(band)= -1.570600 trlgG= -2.245375 logG= -0.665902 TDE= -4.404415 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039219 tlogG= -0.614011 logG= -0.653230 Density= 3.419586 ETOT(band)= -1.558252 trlgG= -2.220518 logG= -0.653230 TDE= -4.394743 logGD-logG0= -0.039153 tlogG= -0.617840 logG= -0.656992 Density= 3.419331 ETOT(band)= -1.561524 trlgG= -2.225849 logG= -0.656992 TDE= -4.396102 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039288 tlogG= -0.613426 logG= -0.652715 Density= 3.419789 ETOT(band)= -1.557519 trlgG= -2.220770 logG= -0.652715 TDE= -4.395679 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039123 tlogG= -0.620453 logG= -0.659576 Density= 3.419287 ETOT(band)= -1.563635 trlgG= -2.229604 logG= -0.659576 TDE= -4.397237 logGD-logG0= -0.039047 tlogG= -0.617402 logG= -0.656449 Density= 3.417947 ETOT(band)= -1.562235 trlgG= -2.227336 logG= -0.656449 TDE= -4.396987 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038997 tlogG= -0.622654 logG= -0.661651 Density= 3.418246 ETOT(band)= -1.566113 trlgG= -2.234414 logG= -0.661651 TDE= -4.399111 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038941 tlogG= -0.624706 logG= -0.663647 Density= 3.417106 ETOT(band)= -1.568330 trlgG= -2.241261 logG= -0.663647 TDE= -4.403019 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039400 tlogG= -0.610464 logG= -0.649865 Density= 3.420406 ETOT(band)= -1.554639 trlgG= -2.216346 logG= -0.649865 TDE= -4.394615 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039011 tlogG= -0.620051 logG= -0.659062 Density= 3.418159 ETOT(band)= -1.563983 trlgG= -2.230211 logG= -0.659062 TDE= -4.397424 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039129 tlogG= -0.614171 logG= -0.653300 Density= 3.418954 ETOT(band)= -1.558915 trlgG= -2.221153 logG= -0.653300 TDE= -4.394786 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039151 tlogG= -0.617114 logG= -0.656265 Density= 3.418863 ETOT(band)= -1.561096 trlgG= -2.226362 logG= -0.656265 TDE= -4.396955 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039303 tlogG= -0.612969 logG= -0.652272 Density= 3.419518 ETOT(band)= -1.557327 trlgG= -2.220829 logG= -0.652272 TDE= -4.395957 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038972 tlogG= -0.622047 logG= -0.661019 Density= 3.417645 ETOT(band)= -1.565920 trlgG= -2.235211 logG= -0.661019 TDE= -4.400043 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038831 tlogG= -0.625309 logG= -0.664140 Density= 3.416621 ETOT(band)= -1.569342 trlgG= -2.241872 logG= -0.664140 TDE= -4.402736 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038998 tlogG= -0.617808 logG= -0.656805 Density= 3.417936 ETOT(band)= -1.562633 trlgG= -2.227448 logG= -0.656805 TDE= -4.396734 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039198 tlogG= -0.615696 logG= -0.654893 Density= 3.418901 ETOT(band)= -1.559972 trlgG= -2.224847 logG= -0.654893 TDE= -4.396843 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039520 tlogG= -0.609673 logG= -0.649193 Density= 3.420942 ETOT(band)= -1.553467 trlgG= -2.215433 logG= -0.649193 TDE= -4.394817 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038908 tlogG= -0.623083 logG= -0.661991 Density= 3.417210 ETOT(band)= -1.567162 trlgG= -2.237114 logG= -0.661991 TDE= -4.400614 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039360 tlogG= -0.612825 logG= -0.652185 Density= 3.420014 ETOT(band)= -1.556753 trlgG= -2.220338 logG= -0.652185 TDE= -4.395962 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.039149 tlogG= -0.617485 logG= -0.656635 logGD-logG0= -0.038859 tlogG= -0.620675 logG= -0.659535 Density= 3.417199 ETOT(band)= -1.565557 trlgG= -2.232009 logG= -0.659535 TDE= -4.397956 Density= 3.419086 ETOT(band)= -1.561329 trlgG= -2.226264 logG= -0.656635 TDE= -4.396671 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038789 tlogG= -0.622995 logG= -0.661784 Density= 3.416887 ETOT(band)= -1.567559 trlgG= -2.236192 logG= -0.661784 TDE= -4.399632 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 Sum of eigenvalues= -1021.31334273407 eV TrLogG= -1457.76495159524 eV Ratio to renormalize= 0.999586585222 rho-rho_expected= 0.067828064635 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 5) Finished k-point number 6 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 21) Finished k-point number 22 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800585990639088 0.802600001741081 0.802431159658162 0.800155916009389 0.803134472619002 0.802391081121233 0.800880794338861 0.802463703938767 0.802534638632426 0.800792053671108 0.802665173086413 0.802437034250285 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039042 tlogG= -0.619882 logG= -0.658924 Density= 3.418230 ETOT(band)= -1.563899 trlgG= -2.230544 logG= -0.658924 TDE= -4.397955 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038892 tlogG= -0.620437 logG= -0.659330 Density= 3.417055 ETOT(band)= -1.565456 trlgG= -2.232019 logG= -0.659330 TDE= -4.398053 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038910 tlogG= -0.624826 logG= -0.663735 Density= 3.416800 ETOT(band)= -1.568761 trlgG= -2.241765 logG= -0.663735 TDE= -4.403182 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038892 tlogG= -0.622321 logG= -0.661213 Density= 3.416884 ETOT(band)= -1.566950 trlgG= -2.236417 logG= -0.661213 TDE= -4.400425 logGD-logG0= -0.039137 tlogG= -0.616228 logG= -0.655365 Density= 3.418767 ETOT(band)= -1.560606 trlgG= -2.225196 logG= -0.655365 TDE= -4.396609 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038748 tlogG= -0.627636 logG= -0.666384 Density= 3.416292 ETOT(band)= -1.571348 trlgG= -2.244989 logG= -0.666384 TDE= -4.403338 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038941 tlogG= -0.624722 logG= -0.663664 Density= 3.417108 ETOT(band)= -1.568357 trlgG= -2.241305 logG= -0.663664 TDE= -4.403048 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038839 tlogG= -0.627080 logG= -0.665919 Density= 3.416547 ETOT(band)= -1.570627 trlgG= -2.245419 logG= -0.665919 TDE= -4.404443 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038859 tlogG= -0.623539 logG= -0.662398 Density= 3.417184 ETOT(band)= -1.567637 trlgG= -2.237116 logG= -0.662398 TDE= -4.400188 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039216 tlogG= -0.613601 logG= -0.652817 Density= 3.419239 ETOT(band)= -1.558164 trlgG= -2.221385 logG= -0.652817 TDE= -4.395738 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038935 tlogG= -0.626487 logG= -0.665422 Density= 3.416838 ETOT(band)= -1.569840 trlgG= -2.245065 logG= -0.665422 TDE= -4.404827 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039080 tlogG= -0.616740 logG= -0.655820 Density= 3.418661 ETOT(band)= -1.561189 trlgG= -2.225083 logG= -0.655820 TDE= -4.395954 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039023 tlogG= -0.620258 logG= -0.659282 Density= 3.418366 ETOT(band)= -1.564179 trlgG= -2.230429 logG= -0.659282 TDE= -4.397594 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038909 tlogG= -0.623100 logG= -0.662008 Density= 3.417212 ETOT(band)= -1.567189 trlgG= -2.237158 logG= -0.662008 TDE= -4.400643 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039012 tlogG= -0.620067 logG= -0.659079 Density= 3.418161 ETOT(band)= -1.564010 trlgG= -2.230254 logG= -0.659079 TDE= -4.397453 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039289 tlogG= -0.613443 logG= -0.652732 Density= 3.419792 ETOT(band)= -1.557545 trlgG= -2.220815 logG= -0.652732 TDE= -4.395709 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038982 tlogG= -0.622389 logG= -0.661371 Density= 3.417929 ETOT(band)= -1.566079 trlgG= -2.234942 logG= -0.661371 TDE= -4.399657 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038842 tlogG= -0.625640 logG= -0.664482 Density= 3.417010 ETOT(band)= -1.569324 trlgG= -2.240806 logG= -0.664482 TDE= -4.401650 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038755 tlogG= -0.625787 logG= -0.664542 Density= 3.416463 ETOT(band)= -1.569919 trlgG= -2.241500 logG= -0.664542 TDE= -4.401832 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038835 tlogG= -0.620935 logG= -0.659770 Density= 3.417357 ETOT(band)= -1.565694 trlgG= -2.232237 logG= -0.659770 TDE= -4.398079 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038961 tlogG= -0.622644 logG= -0.661604 Density= 3.417282 ETOT(band)= -1.566697 trlgG= -2.237071 logG= -0.661604 TDE= -4.401017 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038997 tlogG= -0.622670 logG= -0.661667 Density= 3.418248 ETOT(band)= -1.566139 trlgG= -2.234457 logG= -0.661667 TDE= -4.399139 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038860 tlogG= -0.620692 logG= -0.659552 Density= 3.417201 ETOT(band)= -1.565584 trlgG= -2.232053 logG= -0.659552 TDE= -4.397985 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039198 tlogG= -0.615712 logG= -0.654910 Density= 3.418904 ETOT(band)= -1.559999 trlgG= -2.224891 logG= -0.654910 TDE= -4.396873 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039129 tlogG= -0.614188 logG= -0.653317 Density= 3.418956 ETOT(band)= -1.558942 trlgG= -2.221198 logG= -0.653317 TDE= -4.394815 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039220 tlogG= -0.614028 logG= -0.653247 Density= 3.419588 ETOT(band)= -1.558279 trlgG= -2.220563 logG= -0.653247 TDE= -4.394773 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038832 tlogG= -0.625325 logG= -0.664157 Density= 3.416623 ETOT(band)= -1.569369 trlgG= -2.241916 logG= -0.664157 TDE= -4.402765 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038954 tlogG= -0.620068 logG= -0.659022 Density= 3.417584 ETOT(band)= -1.564644 trlgG= -2.231397 logG= -0.659022 TDE= -4.398175 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039401 tlogG= -0.610481 logG= -0.649882 Density= 3.420409 ETOT(band)= -1.554665 trlgG= -2.216391 logG= -0.649882 TDE= -4.394645 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039153 tlogG= -0.617856 logG= -0.657009 Density= 3.419334 ETOT(band)= -1.561550 trlgG= -2.225893 logG= -0.657009 TDE= -4.396130 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038945 tlogG= -0.618202 logG= -0.657148 Density= 3.417932 ETOT(band)= -1.563026 trlgG= -2.227304 logG= -0.657148 TDE= -4.396244 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038789 tlogG= -0.623012 logG= -0.661801 Density= 3.416889 ETOT(band)= -1.567586 trlgG= -2.236235 logG= -0.661801 TDE= -4.399660 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039521 tlogG= -0.609689 logG= -0.649210 Density= 3.420945 ETOT(band)= -1.553493 trlgG= -2.215478 logG= -0.649210 TDE= -4.394847 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039048 tlogG= -0.617418 logG= -0.656466 Density= 3.417949 ETOT(band)= -1.562262 trlgG= -2.227381 logG= -0.656466 TDE= -4.397017 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038972 tlogG= -0.622064 logG= -0.661036 Density= 3.417647 ETOT(band)= -1.565946 trlgG= -2.235255 logG= -0.661036 TDE= -4.400072 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039006 tlogG= -0.619628 logG= -0.658634 Density= 3.417623 ETOT(band)= -1.564188 trlgG= -2.230999 logG= -0.658634 TDE= -4.398198 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038838 tlogG= -0.622690 logG= -0.661527 Density= 3.416881 ETOT(band)= -1.567298 trlgG= -2.236322 logG= -0.661527 TDE= -4.400013 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038901 tlogG= -0.620467 logG= -0.659368 Density= 3.417559 ETOT(band)= -1.565041 trlgG= -2.231410 logG= -0.659368 TDE= -4.397822 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039064 tlogG= -0.620273 logG= -0.659337 Density= 3.418699 ETOT(band)= -1.563856 trlgG= -2.229952 logG= -0.659337 TDE= -4.397338 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039059 tlogG= -0.619467 logG= -0.658526 Density= 3.418126 ETOT(band)= -1.563555 trlgG= -2.230332 logG= -0.658526 TDE= -4.398055 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038889 tlogG= -0.625195 logG= -0.664084 Density= 3.417045 ETOT(band)= -1.568867 trlgG= -2.241347 logG= -0.664084 TDE= -4.402618 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038998 tlogG= -0.617824 logG= -0.656822 Density= 3.417938 ETOT(band)= -1.562660 trlgG= -2.227492 logG= -0.656822 TDE= -4.396763 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039360 tlogG= -0.612841 logG= -0.652202 Density= 3.420016 ETOT(band)= -1.556779 trlgG= -2.220382 logG= -0.652202 TDE= -4.395992 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.039280 tlogG= -0.611198 logG= -0.650478 Density= 3.419895 ETOT(band)= -1.555737 trlgG= -2.216387 logG= -0.650478 TDE= -4.393620 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039152 tlogG= -0.617130 logG= -0.656282 Density= 3.418865 ETOT(band)= -1.561123 trlgG= -2.226407 logG= -0.656282 TDE= -4.396985 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039150 tlogG= -0.617502 logG= -0.656652 Density= 3.419088 ETOT(band)= -1.561355 trlgG= -2.226308 logG= -0.656652 TDE= -4.396701 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039124 tlogG= -0.620469 logG= -0.659593 Density= 3.419289 ETOT(band)= -1.563662 trlgG= -2.229647 logG= -0.659593 TDE= -4.397265 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039303 tlogG= -0.612986 logG= -0.652289 Density= 3.419521 ETOT(band)= -1.557353 trlgG= -2.220874 logG= -0.652289 TDE= -4.395987 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 Sum of eigenvalues= -1021.33070940988 eV TrLogG= -1457.79488535370 eV Ratio to renormalize= 0.999585934143 rho-rho_expected= 0.067934930074 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 10) Finished k-point number 11 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 7) Finished k-point number 8 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 4) Finished k-point number 5 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800565045470901 0.802578673645798 0.802407183541613 0.800134991137628 0.803113052088282 0.802367358602241 0.800859870509976 0.802442388498907 0.802510733063220 0.800771332757978 0.802643716015223 0.802413131742598 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038744 tlogG= -0.616767 logG= -0.655511 Density= 3.418615 ETOT(band)= -1.561205 trlgG= -2.224781 logG= -0.655511 TDE= -4.395923 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038691 tlogG= -0.620285 logG= -0.658976 Density= 3.418338 ETOT(band)= -1.564183 trlgG= -2.230118 logG= -0.658976 TDE= -4.397565 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038527 tlogG= -0.620718 logG= -0.659244 Density= 3.417170 ETOT(band)= -1.565591 trlgG= -2.231743 logG= -0.659244 TDE= -4.397957 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038709 tlogG= -0.619909 logG= -0.658618 Density= 3.418197 ETOT(band)= -1.563908 trlgG= -2.230236 logG= -0.658618 TDE= -4.397926 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038790 tlogG= -0.614216 logG= -0.653006 Density= 3.418897 ETOT(band)= -1.558966 trlgG= -2.220903 logG= -0.653006 TDE= -4.394783 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038641 tlogG= -0.622091 logG= -0.660731 Density= 3.417620 ETOT(band)= -1.565952 trlgG= -2.234944 logG= -0.660731 TDE= -4.400042 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038512 tlogG= -0.625666 logG= -0.664178 Density= 3.416994 ETOT(band)= -1.569322 trlgG= -2.240487 logG= -0.664178 TDE= -4.401621 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038816 tlogG= -0.617529 logG= -0.656345 Density= 3.419048 ETOT(band)= -1.561366 trlgG= -2.226002 logG= -0.656345 TDE= -4.396669 logGD-logG0= -0.038568 tlogG= -0.620493 logG= -0.659061 Density= 3.417528 ETOT(band)= -1.565047 trlgG= -2.231100 logG= -0.659061 TDE= -4.397794 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038418 tlogG= -0.627662 logG= -0.666080 Density= 3.416275 ETOT(band)= -1.571347 trlgG= -2.244670 logG= -0.666080 TDE= -4.403309 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038801 tlogG= -0.616255 logG= -0.655056 Density= 3.418718 ETOT(band)= -1.560624 trlgG= -2.224894 logG= -0.655056 TDE= -4.396576 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038881 tlogG= -0.614056 logG= -0.652936 Density= 3.419528 ETOT(band)= -1.558303 trlgG= -2.220269 logG= -0.652936 TDE= -4.394741 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038580 tlogG= -0.624851 logG= -0.663432 Density= 3.416778 ETOT(band)= -1.568767 trlgG= -2.241450 logG= -0.663432 TDE= -4.403152 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038965 tlogG= -0.613013 logG= -0.651978 Density= 3.419460 ETOT(band)= -1.557380 trlgG= -2.220580 logG= -0.651978 TDE= -4.395954 logGD-logG0= -0.038561 tlogG= -0.622347 logG= -0.660908 Density= 3.416854 ETOT(band)= -1.566959 trlgG= -2.236106 logG= -0.660908 TDE= -4.400395 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038527 tlogG= -0.623565 logG= -0.662092 Density= 3.417161 ETOT(band)= -1.567638 trlgG= -2.236802 logG= -0.662092 TDE= -4.400160 logGD-logG0= -0.038559 tlogG= -0.620463 logG= -0.659022 Density= 3.417018 ETOT(band)= -1.565469 trlgG= -2.231715 logG= -0.659022 TDE= -4.398025 logGD-logG0= -0.038559 tlogG= -0.625221 logG= -0.663780 Density= 3.417026 ETOT(band)= -1.568868 trlgG= -2.241030 logG= -0.663780 TDE= -4.402589 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038607 tlogG= -0.626513 logG= -0.665120 Density= 3.416819 ETOT(band)= -1.569844 trlgG= -2.244749 logG= -0.665120 TDE= -4.404797 logGD-logG0= -0.038877 tlogG= -0.613629 logG= -0.652506 Density= 3.419180 ETOT(band)= -1.558189 trlgG= -2.221090 logG= -0.652506 TDE= -4.395704 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038610 tlogG= -0.618229 logG= -0.656839 Density= 3.417894 ETOT(band)= -1.563036 trlgG= -2.226996 logG= -0.656839 TDE= -4.396214 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038620 tlogG= -0.620094 logG= -0.658715 Density= 3.417549 ETOT(band)= -1.564654 trlgG= -2.231090 logG= -0.658715 TDE= -4.398147 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038502 tlogG= -0.625351 logG= -0.663853 Density= 3.416603 ETOT(band)= -1.569371 trlgG= -2.241599 logG= -0.663853 TDE= -4.402735 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038862 tlogG= -0.615740 logG= -0.654602 Density= 3.418852 ETOT(band)= -1.560021 trlgG= -2.224592 logG= -0.654602 TDE= -4.396840 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=118 logGD-logG0= -0.038578 tlogG= -0.623126 logG= -0.661703 Density= 3.417186 ETOT(band)= -1.567194 trlgG= -2.236845 logG= -0.661703 TDE= -4.400613 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038652 tlogG= -0.622415 logG= -0.661067 Density= 3.417907 ETOT(band)= -1.566079 trlgG= -2.234626 logG= -0.661067 TDE= -4.399627 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038667 tlogG= -0.622696 logG= -0.661364 Density= 3.418233 ETOT(band)= -1.566135 trlgG= -2.234138 logG= -0.661364 TDE= -4.399112 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038612 tlogG= -0.624749 logG= -0.663361 Density= 3.417085 ETOT(band)= -1.568362 trlgG= -2.240991 logG= -0.663361 TDE= -4.403018 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038502 tlogG= -0.620961 logG= -0.659463 Density= 3.417331 ETOT(band)= -1.565696 trlgG= -2.231924 logG= -0.659463 TDE= -4.398053 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038506 tlogG= -0.622715 logG= -0.661222 Density= 3.416854 ETOT(band)= -1.567303 trlgG= -2.236009 logG= -0.661222 TDE= -4.399984 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039059 tlogG= -0.610509 logG= -0.649569 Density= 3.420333 ETOT(band)= -1.554701 trlgG= -2.216108 logG= -0.649569 TDE= -4.394612 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038732 tlogG= -0.620299 logG= -0.659032 Density= 3.418676 ETOT(band)= -1.563856 trlgG= -2.229639 logG= -0.659032 TDE= -4.397311 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038630 tlogG= -0.622670 logG= -0.661300 Density= 3.417253 ETOT(band)= -1.566706 trlgG= -2.236761 logG= -0.661300 TDE= -4.400987 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038457 tlogG= -0.623037 logG= -0.661495 Density= 3.416867 ETOT(band)= -1.567586 trlgG= -2.235920 logG= -0.661495 TDE= -4.399633 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038713 tlogG= -0.617445 logG= -0.656158 Density= 3.417903 ETOT(band)= -1.562280 trlgG= -2.227078 logG= -0.656158 TDE= -4.396984 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038938 tlogG= -0.611227 logG= -0.650165 Density= 3.419817 ETOT(band)= -1.555773 trlgG= -2.216105 logG= -0.650165 TDE= -4.393587 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038817 tlogG= -0.617157 logG= -0.655974 Density= 3.418821 ETOT(band)= -1.561138 trlgG= -2.226104 logG= -0.655974 TDE= -4.396953 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038663 tlogG= -0.617851 logG= -0.656514 Density= 3.417897 ETOT(band)= -1.562674 trlgG= -2.227186 logG= -0.656514 TDE= -4.396731 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038425 tlogG= -0.625812 logG= -0.664237 Density= 3.416445 ETOT(band)= -1.569918 trlgG= -2.241183 logG= -0.664237 TDE= -4.401804 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038510 tlogG= -0.627106 logG= -0.665616 Density= 3.416529 ETOT(band)= -1.570628 trlgG= -2.245102 logG= -0.665616 TDE= -4.404414 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038793 tlogG= -0.620496 logG= -0.659289 Density= 3.419275 ETOT(band)= -1.563656 trlgG= -2.229329 logG= -0.659289 TDE= -4.397238 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038679 tlogG= -0.620094 logG= -0.658773 Density= 3.418129 ETOT(band)= -1.564016 trlgG= -2.229946 logG= -0.658773 TDE= -4.397424 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039022 tlogG= -0.612869 logG= -0.651892 Density= 3.419955 ETOT(band)= -1.556807 trlgG= -2.220090 logG= -0.651892 TDE= -4.395959 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039180 tlogG= -0.609717 logG= -0.648898 Density= 3.420872 ETOT(band)= -1.553529 trlgG= -2.215193 logG= -0.648898 TDE= -4.394814 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038725 tlogG= -0.619494 logG= -0.658219 Density= 3.418088 ETOT(band)= -1.563568 trlgG= -2.230027 logG= -0.658219 TDE= -4.398025 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038819 tlogG= -0.617883 logG= -0.656703 Density= 3.419300 ETOT(band)= -1.561557 trlgG= -2.225584 logG= -0.656703 TDE= -4.396100 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038672 tlogG= -0.619655 logG= -0.658327 Density= 3.417584 ETOT(band)= -1.564203 trlgG= -2.230696 logG= -0.658327 TDE= -4.398169 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038951 tlogG= -0.613470 logG= -0.652421 Density= 3.419731 ETOT(band)= -1.557571 trlgG= -2.220522 logG= -0.652421 TDE= -4.395676 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 Sum of eigenvalues= -1021.33774916599 eV TrLogG= -1457.57485327281 eV Ratio to renormalize= 0.999596535956 rho-rho_expected= 0.066194810491 nargs= 1 argi=dmft2.def 15) Finished k-point number 16 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 34) Finished k-point number 35 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 42) Finished k-point number 43 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800599798465840 0.802595080537592 0.802449734178481 0.800169823198057 0.803130199755387 0.802408965081414 0.800894549742335 0.802458660370754 0.802553259194605 0.800805785866669 0.802660499366263 0.802455428307706 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038884 tlogG= -0.613608 logG= -0.652492 Density= 3.419202 ETOT(band)= -1.558211 trlgG= -2.221103 logG= -0.652492 TDE= -4.395750 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038509 tlogG= -0.620940 logG= -0.659449 Density= 3.417354 ETOT(band)= -1.565719 trlgG= -2.231929 logG= -0.659449 TDE= -4.398090 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038619 tlogG= -0.624727 logG= -0.663346 Density= 3.417109 ETOT(band)= -1.568383 trlgG= -2.240999 logG= -0.663346 TDE= -4.403060 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038575 tlogG= -0.620472 logG= -0.659047 Density= 3.417551 ETOT(band)= -1.565069 trlgG= -2.231107 logG= -0.659047 TDE= -4.397834 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038716 tlogG= -0.619888 logG= -0.658604 Density= 3.418220 ETOT(band)= -1.563930 trlgG= -2.230245 logG= -0.658604 TDE= -4.397966 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039029 tlogG= -0.612848 logG= -0.651878 Density= 3.419978 ETOT(band)= -1.556829 trlgG= -2.220102 logG= -0.651878 TDE= -4.396004 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038698 tlogG= -0.620264 logG= -0.658962 Density= 3.418360 ETOT(band)= -1.564206 trlgG= -2.230125 logG= -0.658962 TDE= -4.397605 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038517 tlogG= -0.627084 logG= -0.665602 Density= 3.416553 ETOT(band)= -1.570649 trlgG= -2.245109 logG= -0.665602 TDE= -4.404455 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038739 tlogG= -0.620279 logG= -0.659018 Density= 3.418698 ETOT(band)= -1.563879 trlgG= -2.229646 logG= -0.659018 TDE= -4.397350 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038617 tlogG= -0.618208 logG= -0.656825 Density= 3.417917 ETOT(band)= -1.563058 trlgG= -2.227005 logG= -0.656825 TDE= -4.396255 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038800 tlogG= -0.620475 logG= -0.659275 Density= 3.419296 ETOT(band)= -1.563680 trlgG= -2.229335 logG= -0.659275 TDE= -4.397275 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038534 tlogG= -0.620697 logG= -0.659231 Density= 3.417192 ETOT(band)= -1.565614 trlgG= -2.231750 logG= -0.659231 TDE= -4.397996 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038566 tlogG= -0.620442 logG= -0.659009 Density= 3.417041 ETOT(band)= -1.565491 trlgG= -2.231721 logG= -0.659009 TDE= -4.398064 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038588 tlogG= -0.624830 logG= -0.663417 Density= 3.416801 ETOT(band)= -1.568788 trlgG= -2.241458 logG= -0.663417 TDE= -4.403194 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038614 tlogG= -0.626491 logG= -0.665105 Density= 3.416843 ETOT(band)= -1.569865 trlgG= -2.244756 logG= -0.665105 TDE= -4.404839 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038519 tlogG= -0.625645 logG= -0.664164 Density= 3.417017 ETOT(band)= -1.569344 trlgG= -2.240493 logG= -0.664164 TDE= -4.401661 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038432 tlogG= -0.625791 logG= -0.664223 Density= 3.416468 ETOT(band)= -1.569940 trlgG= -2.241189 logG= -0.664223 TDE= -4.401843 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038674 tlogG= -0.622676 logG= -0.661350 Density= 3.418255 ETOT(band)= -1.566157 trlgG= -2.234144 logG= -0.661350 TDE= -4.399150 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038534 tlogG= -0.623544 logG= -0.662078 Density= 3.417184 ETOT(band)= -1.567660 trlgG= -2.236808 logG= -0.662078 TDE= -4.400199 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038568 tlogG= -0.622326 logG= -0.660894 Density= 3.416877 ETOT(band)= -1.566980 trlgG= -2.236115 logG= -0.660894 TDE= -4.400438 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038720 tlogG= -0.617424 logG= -0.656144 Density= 3.417926 ETOT(band)= -1.562302 trlgG= -2.227090 logG= -0.656144 TDE= -4.397029 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038733 tlogG= -0.619473 logG= -0.658205 Density= 3.418111 ETOT(band)= -1.563589 trlgG= -2.230036 logG= -0.658205 TDE= -4.398067 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038648 tlogG= -0.622069 logG= -0.660717 Density= 3.417643 ETOT(band)= -1.565973 trlgG= -2.234953 logG= -0.660717 TDE= -4.400085 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038680 tlogG= -0.619633 logG= -0.658313 Density= 3.417607 ETOT(band)= -1.564224 trlgG= -2.230703 logG= -0.658313 TDE= -4.398210 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038869 tlogG= -0.615718 logG= -0.654587 Density= 3.418875 ETOT(band)= -1.560042 trlgG= -2.224604 logG= -0.654587 TDE= -4.396885 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=118 logGD-logG0= -0.038808 tlogG= -0.616234 logG= -0.655042 Density= 3.418741 ETOT(band)= -1.560646 trlgG= -2.224907 logG= -0.655042 TDE= -4.396621 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038425 tlogG= -0.627640 logG= -0.666065 Density= 3.416298 ETOT(band)= -1.571369 trlgG= -2.244678 logG= -0.666065 TDE= -4.403350 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038686 tlogG= -0.620073 logG= -0.658759 Density= 3.418152 ETOT(band)= -1.564038 trlgG= -2.229954 logG= -0.658759 TDE= -4.397465 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038751 tlogG= -0.616746 logG= -0.655497 Density= 3.418637 ETOT(band)= -1.561227 trlgG= -2.224791 logG= -0.655497 TDE= -4.395965 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038659 tlogG= -0.622394 logG= -0.661053 Density= 3.417930 ETOT(band)= -1.566102 trlgG= -2.234635 logG= -0.661053 TDE= -4.399669 logGD-logG0= -0.038972 tlogG= -0.612992 logG= -0.651964 Density= 3.419483 ETOT(band)= -1.557402 trlgG= -2.220592 logG= -0.651964 TDE= -4.395999 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038513 tlogG= -0.622694 logG= -0.661208 Density= 3.416877 ETOT(band)= -1.567324 trlgG= -2.236017 logG= -0.661208 TDE= -4.400026 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038945 tlogG= -0.611206 logG= -0.650151 Density= 3.419839 ETOT(band)= -1.555795 trlgG= -2.216117 logG= -0.650151 TDE= -4.393632 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038637 tlogG= -0.622648 logG= -0.661285 Density= 3.417276 ETOT(band)= -1.566727 trlgG= -2.236769 logG= -0.661285 TDE= -4.401029 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038627 tlogG= -0.620073 logG= -0.658701 Density= 3.417572 ETOT(band)= -1.564676 trlgG= -2.231098 logG= -0.658701 TDE= -4.398187 logGD-logG0= -0.038797 tlogG= -0.614195 logG= -0.652992 Density= 3.418919 ETOT(band)= -1.558988 trlgG= -2.220914 logG= -0.652992 TDE= -4.394827 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038566 tlogG= -0.625199 logG= -0.663766 Density= 3.417048 ETOT(band)= -1.568889 trlgG= -2.241038 logG= -0.663766 TDE= -4.402630 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038465 tlogG= -0.623016 logG= -0.661481 Density= 3.416889 ETOT(band)= -1.567609 trlgG= -2.235925 logG= -0.661481 TDE= -4.399670 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039188 tlogG= -0.609696 logG= -0.648884 Density= 3.420896 ETOT(band)= -1.553550 trlgG= -2.215204 logG= -0.648884 TDE= -4.394859 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038824 tlogG= -0.617136 logG= -0.655960 Density= 3.418844 ETOT(band)= -1.561160 trlgG= -2.226115 logG= -0.655960 TDE= -4.396997 logGD-logG0= -0.038888 tlogG= -0.614035 logG= -0.652923 Density= 3.419550 ETOT(band)= -1.558325 trlgG= -2.220281 logG= -0.652923 TDE= -4.394785 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039066 tlogG= -0.610488 logG= -0.649555 Density= 3.420356 ETOT(band)= -1.554723 trlgG= -2.216120 logG= -0.649555 TDE= -4.394658 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038585 tlogG= -0.623104 logG= -0.661689 Density= 3.417209 ETOT(band)= -1.567216 trlgG= -2.236853 logG= -0.661689 TDE= -4.400655 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038509 tlogG= -0.625330 logG= -0.663838 Density= 3.416626 ETOT(band)= -1.569393 trlgG= -2.241607 logG= -0.663838 TDE= -4.402777 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038958 tlogG= -0.613449 logG= -0.652407 Density= 3.419753 ETOT(band)= -1.557593 trlgG= -2.220534 logG= -0.652407 TDE= -4.395721 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=118 logGD-logG0= -0.038823 tlogG= -0.617508 logG= -0.656331 Density= 3.419071 ETOT(band)= -1.561389 trlgG= -2.226014 logG= -0.656331 TDE= -4.396713 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038670 tlogG= -0.617830 logG= -0.656500 Density= 3.417919 ETOT(band)= -1.562696 trlgG= -2.227198 logG= -0.656500 TDE= -4.396775 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.038826 tlogG= -0.617862 logG= -0.656689 Density= 3.419321 ETOT(band)= -1.561580 trlgG= -2.225593 logG= -0.656689 TDE= -4.396141 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Sum of eigenvalues= -1021.35205432801 eV TrLogG= -1457.59294957353 eV Ratio to renormalize= 0.999589899837 rho-rho_expected= 0.067284019962 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 35) Finished k-point number 36 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 5) Finished k-point number 6 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 44) Finished k-point number 45 1 with #bands= 107 36) Finished k-point number 37 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800580062108448 0.802595940102738 0.802426186418513 0.800149895035105 0.803130576548143 0.802386115087463 0.800874782383530 0.802459740882806 0.802529707684298 0.800786037624144 0.802661221096630 0.802432070207126 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038565 tlogG= -0.622356 logG= -0.660920 Density= 3.416868 ETOT(band)= -1.567000 trlgG= -2.236161 logG= -0.660920 TDE= -4.400449 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038881 tlogG= -0.613637 logG= -0.652518 Density= 3.419194 ETOT(band)= -1.558230 trlgG= -2.221149 logG= -0.652518 TDE= -4.395762 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038531 tlogG= -0.623574 logG= -0.662105 Density= 3.417175 ETOT(band)= -1.567680 trlgG= -2.236855 logG= -0.662105 TDE= -4.400212 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038572 tlogG= -0.620502 logG= -0.659073 Density= 3.417542 ETOT(band)= -1.565089 trlgG= -2.231154 logG= -0.659073 TDE= -4.397847 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038422 tlogG= -0.627670 logG= -0.666092 Density= 3.416289 ETOT(band)= -1.571389 trlgG= -2.244725 logG= -0.666092 TDE= -4.403362 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038713 tlogG= -0.619918 logG= -0.658631 Density= 3.418211 ETOT(band)= -1.563950 trlgG= -2.230291 logG= -0.658631 TDE= -4.397979 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038429 tlogG= -0.625821 logG= -0.664250 Density= 3.416459 ETOT(band)= -1.569960 trlgG= -2.241236 logG= -0.664250 TDE= -4.401856 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038695 tlogG= -0.620294 logG= -0.658988 Density= 3.418351 ETOT(band)= -1.564225 trlgG= -2.230172 logG= -0.658988 TDE= -4.397619 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038584 tlogG= -0.624860 logG= -0.663444 Density= 3.416792 ETOT(band)= -1.568808 trlgG= -2.241505 logG= -0.663444 TDE= -4.403206 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038748 tlogG= -0.616775 logG= -0.655523 Density= 3.418629 ETOT(band)= -1.561246 trlgG= -2.224837 logG= -0.655523 TDE= -4.395978 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038969 tlogG= -0.613021 logG= -0.651991 Density= 3.419475 ETOT(band)= -1.557421 trlgG= -2.220638 logG= -0.651991 TDE= -4.396012 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038516 tlogG= -0.625675 logG= -0.664191 Density= 3.417008 ETOT(band)= -1.569364 trlgG= -2.240541 logG= -0.664191 TDE= -4.401674 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038514 tlogG= -0.627114 logG= -0.665629 Density= 3.416543 ETOT(band)= -1.570670 trlgG= -2.245156 logG= -0.665629 TDE= -4.404467 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038942 tlogG= -0.611235 logG= -0.650177 Density= 3.419831 ETOT(band)= -1.555814 trlgG= -2.216163 logG= -0.650177 TDE= -4.393644 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038797 tlogG= -0.620504 logG= -0.659302 Density= 3.419288 ETOT(band)= -1.563699 trlgG= -2.229382 logG= -0.659302 TDE= -4.397289 logGD-logG0= -0.038611 tlogG= -0.626521 logG= -0.665132 Density= 3.416833 ETOT(band)= -1.569886 trlgG= -2.244803 logG= -0.665132 TDE= -4.404851 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038805 tlogG= -0.616264 logG= -0.655069 Density= 3.418732 ETOT(band)= -1.560666 trlgG= -2.224953 logG= -0.655069 TDE= -4.396634 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038506 tlogG= -0.620970 logG= -0.659476 Density= 3.417345 ETOT(band)= -1.565738 trlgG= -2.231977 logG= -0.659476 TDE= -4.398104 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038614 tlogG= -0.618237 logG= -0.656851 Density= 3.417908 ETOT(band)= -1.563078 trlgG= -2.227052 logG= -0.656851 TDE= -4.396269 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038563 tlogG= -0.620472 logG= -0.659035 Density= 3.417032 ETOT(band)= -1.565511 trlgG= -2.231768 logG= -0.659035 TDE= -4.398077 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038563 tlogG= -0.625229 logG= -0.663793 Density= 3.417039 ETOT(band)= -1.568910 trlgG= -2.241085 logG= -0.663793 TDE= -4.402642 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038821 tlogG= -0.617166 logG= -0.655987 Density= 3.418835 ETOT(band)= -1.561180 trlgG= -2.226161 logG= -0.655987 TDE= -4.397009 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038885 tlogG= -0.614064 logG= -0.652949 Density= 3.419542 ETOT(band)= -1.558345 trlgG= -2.220327 logG= -0.652949 TDE= -4.394797 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038677 tlogG= -0.619663 logG= -0.658340 Density= 3.417598 ETOT(band)= -1.564244 trlgG= -2.230750 logG= -0.658340 TDE= -4.398222 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038531 tlogG= -0.620726 logG= -0.659257 Density= 3.417183 ETOT(band)= -1.565633 trlgG= -2.231797 logG= -0.659257 TDE= -4.398009 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038794 tlogG= -0.614224 logG= -0.653018 Density= 3.418911 ETOT(band)= -1.559007 trlgG= -2.220960 logG= -0.653018 TDE= -4.394840 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038656 tlogG= -0.622424 logG= -0.661079 Density= 3.417921 ETOT(band)= -1.566121 trlgG= -2.234681 logG= -0.661079 TDE= -4.399681 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038671 tlogG= -0.622705 logG= -0.661376 Density= 3.418247 ETOT(band)= -1.566177 trlgG= -2.234191 logG= -0.661376 TDE= -4.399163 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038683 tlogG= -0.620103 logG= -0.658786 Density= 3.418143 ETOT(band)= -1.564058 trlgG= -2.230000 logG= -0.658786 TDE= -4.397477 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038820 tlogG= -0.617538 logG= -0.656357 Density= 3.419062 ETOT(band)= -1.561408 trlgG= -2.226059 logG= -0.656357 TDE= -4.396725 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038730 tlogG= -0.619502 logG= -0.658232 Density= 3.418102 ETOT(band)= -1.563609 trlgG= -2.230083 logG= -0.658232 TDE= -4.398080 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038645 tlogG= -0.622099 logG= -0.660744 Density= 3.417634 ETOT(band)= -1.565994 trlgG= -2.234999 logG= -0.660744 TDE= -4.400096 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038866 tlogG= -0.615748 logG= -0.654614 Density= 3.418867 ETOT(band)= -1.560062 trlgG= -2.224651 logG= -0.654614 TDE= -4.396897 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038717 tlogG= -0.617453 logG= -0.656170 Density= 3.417917 ETOT(band)= -1.562322 trlgG= -2.227135 logG= -0.656170 TDE= -4.397041 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038510 tlogG= -0.622724 logG= -0.661234 Density= 3.416868 ETOT(band)= -1.567344 trlgG= -2.236063 logG= -0.661234 TDE= -4.400038 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038955 tlogG= -0.613479 logG= -0.652433 Density= 3.419745 ETOT(band)= -1.557612 trlgG= -2.220580 logG= -0.652433 TDE= -4.395734 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039027 tlogG= -0.612877 logG= -0.651904 Density= 3.419969 ETOT(band)= -1.556848 trlgG= -2.220148 logG= -0.651904 TDE= -4.396017 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038634 tlogG= -0.622678 logG= -0.661312 Density= 3.417267 ETOT(band)= -1.566747 trlgG= -2.236816 logG= -0.661312 TDE= -4.401041 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039064 tlogG= -0.610517 logG= -0.649581 Density= 3.420348 ETOT(band)= -1.554742 trlgG= -2.216166 logG= -0.649581 TDE= -4.394670 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039185 tlogG= -0.609725 logG= -0.648910 Density= 3.420887 ETOT(band)= -1.553569 trlgG= -2.215250 logG= -0.648910 TDE= -4.394872 logGD-logG0= -0.038624 tlogG= -0.620103 logG= -0.658727 Density= 3.417563 ETOT(band)= -1.564696 trlgG= -2.231144 logG= -0.658727 TDE= -4.398200 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038736 tlogG= -0.620308 logG= -0.659044 Density= 3.418689 ETOT(band)= -1.563899 trlgG= -2.229693 logG= -0.659044 TDE= -4.397363 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038667 tlogG= -0.617859 logG= -0.656526 Density= 3.417911 ETOT(band)= -1.562715 trlgG= -2.227243 logG= -0.656526 TDE= -4.396787 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038462 tlogG= -0.623046 logG= -0.661507 Density= 3.416880 ETOT(band)= -1.567628 trlgG= -2.235973 logG= -0.661507 TDE= -4.399684 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038582 tlogG= -0.623134 logG= -0.661716 Density= 3.417200 ETOT(band)= -1.567236 trlgG= -2.236900 logG= -0.661716 TDE= -4.400667 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038506 tlogG= -0.625360 logG= -0.663865 Density= 3.416616 ETOT(band)= -1.569413 trlgG= -2.241654 logG= -0.663865 TDE= -4.402789 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038616 tlogG= -0.624757 logG= -0.663373 Density= 3.417099 ETOT(band)= -1.568403 trlgG= -2.241046 logG= -0.663373 TDE= -4.403072 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038824 tlogG= -0.617892 logG= -0.656715 Density= 3.419313 ETOT(band)= -1.561599 trlgG= -2.225640 logG= -0.656715 TDE= -4.396155 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Sum of eigenvalues= -1021.36494731598 eV TrLogG= -1457.61856080029 eV Ratio to renormalize= 0.999592478044 rho-rho_expected= 0.066860848126 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 23) Finished k-point number 24 1 with #bands= 107 5) Finished k-point number 6 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 107 8) Finished k-point number 9 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800590845045612 0.802598588205490 0.802438838266735 0.800160680310215 0.803133496074888 0.802398472399212 0.800885495444164 0.802462345583269 0.802542390422804 0.800796704641294 0.802664008070296 0.802444658694766 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038567 tlogG= -0.622348 logG= -0.660915 Density= 3.416875 ETOT(band)= -1.567003 trlgG= -2.236159 logG= -0.660915 TDE= -4.400458 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038587 tlogG= -0.624852 logG= -0.663439 Density= 3.416798 ETOT(band)= -1.568811 trlgG= -2.241502 logG= -0.663439 TDE= -4.403214 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038685 tlogG= -0.620095 logG= -0.658780 Density= 3.418150 ETOT(band)= -1.564061 trlgG= -2.229998 logG= -0.658780 TDE= -4.397486 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038534 tlogG= -0.623566 logG= -0.662099 Density= 3.417181 ETOT(band)= -1.567683 trlgG= -2.236852 logG= -0.662099 TDE= -4.400220 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038508 tlogG= -0.625352 logG= -0.663860 Density= 3.416623 ETOT(band)= -1.569416 trlgG= -2.241651 logG= -0.663860 TDE= -4.402798 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038508 tlogG= -0.620962 logG= -0.659470 Density= 3.417351 ETOT(band)= -1.565741 trlgG= -2.231973 logG= -0.659470 TDE= -4.398111 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038565 tlogG= -0.625222 logG= -0.663787 Density= 3.417046 ETOT(band)= -1.568912 trlgG= -2.241082 logG= -0.663787 TDE= -4.402651 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038424 tlogG= -0.627662 logG= -0.666087 Density= 3.416295 ETOT(band)= -1.571392 trlgG= -2.244722 logG= -0.666087 TDE= -4.403370 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038512 tlogG= -0.622716 logG= -0.661229 Density= 3.416875 ETOT(band)= -1.567347 trlgG= -2.236061 logG= -0.661229 TDE= -4.400046 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038796 tlogG= -0.614216 logG= -0.653013 Density= 3.418917 ETOT(band)= -1.559010 trlgG= -2.220958 logG= -0.653013 TDE= -4.394848 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038618 tlogG= -0.624749 logG= -0.663367 Density= 3.417106 ETOT(band)= -1.568406 trlgG= -2.241043 logG= -0.663367 TDE= -4.403081 logGD-logG0= -0.038613 tlogG= -0.626513 logG= -0.665126 Density= 3.416840 ETOT(band)= -1.569888 trlgG= -2.244800 logG= -0.665126 TDE= -4.404859 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038616 tlogG= -0.618230 logG= -0.656846 Density= 3.417914 ETOT(band)= -1.563081 trlgG= -2.227049 logG= -0.656846 TDE= -4.396277 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038697 tlogG= -0.620286 logG= -0.658983 Density= 3.418358 ETOT(band)= -1.564228 trlgG= -2.230169 logG= -0.658983 TDE= -4.397626 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038807 tlogG= -0.616256 logG= -0.655063 Density= 3.418738 ETOT(band)= -1.560669 trlgG= -2.224951 logG= -0.655063 TDE= -4.396643 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038565 tlogG= -0.620464 logG= -0.659030 Density= 3.417039 ETOT(band)= -1.565513 trlgG= -2.231765 logG= -0.659030 TDE= -4.398085 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038971 tlogG= -0.613014 logG= -0.651985 Density= 3.419481 ETOT(band)= -1.557424 trlgG= -2.220637 logG= -0.651985 TDE= -4.396021 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038883 tlogG= -0.613629 logG= -0.652513 Density= 3.419200 ETOT(band)= -1.558233 trlgG= -2.221147 logG= -0.652513 TDE= -4.395771 logGD-logG0= -0.038574 tlogG= -0.620494 logG= -0.659068 Density= 3.417548 ETOT(band)= -1.565092 trlgG= -2.231151 logG= -0.659068 TDE= -4.397854 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038658 tlogG= -0.622416 logG= -0.661074 Density= 3.417927 ETOT(band)= -1.566124 trlgG= -2.234679 logG= -0.661074 TDE= -4.399689 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038669 tlogG= -0.617852 logG= -0.656521 Density= 3.417917 ETOT(band)= -1.562718 trlgG= -2.227242 logG= -0.656521 TDE= -4.396796 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038647 tlogG= -0.622091 logG= -0.660738 Density= 3.417640 ETOT(band)= -1.565996 trlgG= -2.234996 logG= -0.660738 TDE= -4.400105 logGD-logG0= -0.039187 tlogG= -0.609718 logG= -0.648905 Density= 3.420894 ETOT(band)= -1.553572 trlgG= -2.215249 logG= -0.648905 TDE= -4.394881 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038719 tlogG= -0.617446 logG= -0.656165 Density= 3.417924 ETOT(band)= -1.562325 trlgG= -2.227134 logG= -0.656165 TDE= -4.397050 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038944 tlogG= -0.611228 logG= -0.650172 Density= 3.419838 ETOT(band)= -1.555817 trlgG= -2.216161 logG= -0.650172 TDE= -4.393654 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038732 tlogG= -0.619495 logG= -0.658226 Density= 3.418109 ETOT(band)= -1.563612 trlgG= -2.230080 logG= -0.658226 TDE= -4.398088 logGD-logG0= -0.038715 tlogG= -0.619910 logG= -0.658625 Density= 3.418217 ETOT(band)= -1.563952 trlgG= -2.230289 logG= -0.658625 TDE= -4.397987 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038518 tlogG= -0.625667 logG= -0.664185 Density= 3.417014 ETOT(band)= -1.569366 trlgG= -2.240538 logG= -0.664185 TDE= -4.401681 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038750 tlogG= -0.616768 logG= -0.655518 Density= 3.418635 ETOT(band)= -1.561249 trlgG= -2.224835 logG= -0.655518 TDE= -4.395987 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038464 tlogG= -0.623038 logG= -0.661502 Density= 3.416887 ETOT(band)= -1.567631 trlgG= -2.235969 logG= -0.661502 TDE= -4.399691 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038868 tlogG= -0.615740 logG= -0.654609 Density= 3.418873 ETOT(band)= -1.560065 trlgG= -2.224649 logG= -0.654609 TDE= -4.396906 logGD-logG0= -0.038626 tlogG= -0.620095 logG= -0.658722 Density= 3.417569 ETOT(band)= -1.564699 trlgG= -2.231141 logG= -0.658722 TDE= -4.398208 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=118 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038517 tlogG= -0.627107 logG= -0.665623 Density= 3.416550 ETOT(band)= -1.570673 trlgG= -2.245154 logG= -0.665623 TDE= -4.404476 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038823 tlogG= -0.617158 logG= -0.655981 Density= 3.418841 ETOT(band)= -1.561183 trlgG= -2.226159 logG= -0.655981 TDE= -4.397018 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038673 tlogG= -0.622698 logG= -0.661371 Density= 3.418253 ETOT(band)= -1.566180 trlgG= -2.234188 logG= -0.661371 TDE= -4.399171 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038826 tlogG= -0.617884 logG= -0.656710 Density= 3.419319 ETOT(band)= -1.561602 trlgG= -2.225637 logG= -0.656710 TDE= -4.396163 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038636 tlogG= -0.622670 logG= -0.661307 Density= 3.417273 ETOT(band)= -1.566750 trlgG= -2.236813 logG= -0.661307 TDE= -4.401050 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038679 tlogG= -0.619655 logG= -0.658334 Density= 3.417604 ETOT(band)= -1.564247 trlgG= -2.230747 logG= -0.658334 TDE= -4.398230 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038957 tlogG= -0.613471 logG= -0.652428 Density= 3.419751 ETOT(band)= -1.557615 trlgG= -2.220579 logG= -0.652428 TDE= -4.395743 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038431 tlogG= -0.625813 logG= -0.664244 Density= 3.416465 ETOT(band)= -1.569963 trlgG= -2.241233 logG= -0.664244 TDE= -4.401864 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038822 tlogG= -0.617530 logG= -0.656352 Density= 3.419069 ETOT(band)= -1.561411 trlgG= -2.226058 logG= -0.656352 TDE= -4.396734 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039066 tlogG= -0.610510 logG= -0.649576 Density= 3.420354 ETOT(band)= -1.554745 trlgG= -2.216164 logG= -0.649576 TDE= -4.394679 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038584 tlogG= -0.623127 logG= -0.661710 Density= 3.417207 ETOT(band)= -1.567238 trlgG= -2.236897 logG= -0.661710 TDE= -4.400675 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038533 tlogG= -0.620719 logG= -0.659252 Density= 3.417190 ETOT(band)= -1.565636 trlgG= -2.231794 logG= -0.659252 TDE= -4.398017 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039029 tlogG= -0.612870 logG= -0.651899 Density= 3.419976 ETOT(band)= -1.556851 trlgG= -2.220146 logG= -0.651899 TDE= -4.396026 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038738 tlogG= -0.620301 logG= -0.659039 Density= 3.418696 ETOT(band)= -1.563902 trlgG= -2.229690 logG= -0.659039 TDE= -4.397370 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038887 tlogG= -0.614056 logG= -0.652944 Density= 3.419548 ETOT(band)= -1.558348 trlgG= -2.220325 logG= -0.652944 TDE= -4.394806 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038799 tlogG= -0.620497 logG= -0.659296 Density= 3.419294 ETOT(band)= -1.563702 trlgG= -2.229379 logG= -0.659296 TDE= -4.397296 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 Sum of eigenvalues= -1021.36680712262 eV TrLogG= -1457.62037747930 eV Ratio to renormalize= 0.999590602014 rho-rho_expected= 0.067168768418 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 9) Finished k-point number 10 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 15) Finished k-point number 16 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 44) Finished k-point number 45 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 11) Finished k-point number 12 1 with #bands= 107 35) Finished k-point number 36 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800581915248727 0.802585167338493 0.802425067821060 0.800151970958624 0.803119705605332 0.802384942589598 0.800876754780094 0.802448794156821 0.802528596664131 0.800788124505794 0.802650345015418 0.802430890476550 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038584 tlogG= -0.624842 logG= -0.663425 Density= 3.416788 ETOT(band)= -1.568772 trlgG= -2.241450 logG= -0.663425 TDE= -4.403167 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038562 tlogG= -0.620454 logG= -0.659016 Density= 3.417029 ETOT(band)= -1.565475 trlgG= -2.231714 logG= -0.659016 TDE= -4.398039 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038624 tlogG= -0.620085 logG= -0.658708 Density= 3.417559 ETOT(band)= -1.564660 trlgG= -2.231090 logG= -0.658708 TDE= -4.398161 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038421 tlogG= -0.627652 logG= -0.666073 Density= 3.416286 ETOT(band)= -1.571353 trlgG= -2.244670 logG= -0.666073 TDE= -4.403323 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038505 tlogG= -0.620952 logG= -0.659457 Density= 3.417342 ETOT(band)= -1.565703 trlgG= -2.231923 logG= -0.659457 TDE= -4.398066 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038736 tlogG= -0.620290 logG= -0.659026 Density= 3.418686 ETOT(band)= -1.563863 trlgG= -2.229638 logG= -0.659026 TDE= -4.397324 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038941 tlogG= -0.611217 logG= -0.650158 Density= 3.419827 ETOT(band)= -1.555779 trlgG= -2.216107 logG= -0.650158 TDE= -4.393603 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038804 tlogG= -0.616246 logG= -0.655050 Density= 3.418728 ETOT(band)= -1.560630 trlgG= -2.224896 logG= -0.655050 TDE= -4.396592 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038655 tlogG= -0.622406 logG= -0.661061 Density= 3.417918 ETOT(band)= -1.566085 trlgG= -2.234626 logG= -0.661061 TDE= -4.399642 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038880 tlogG= -0.613619 logG= -0.652500 Density= 3.419190 ETOT(band)= -1.558195 trlgG= -2.221092 logG= -0.652500 TDE= -4.395721 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038613 tlogG= -0.618219 logG= -0.656833 Density= 3.417904 ETOT(band)= -1.563042 trlgG= -2.226996 logG= -0.656833 TDE= -4.396229 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038694 tlogG= -0.620276 logG= -0.658970 Density= 3.418348 ETOT(band)= -1.564189 trlgG= -2.230117 logG= -0.658970 TDE= -4.397580 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038610 tlogG= -0.626503 logG= -0.665113 Density= 3.416830 ETOT(band)= -1.569850 trlgG= -2.244748 logG= -0.665113 TDE= -4.404812 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038793 tlogG= -0.614206 logG= -0.653000 Density= 3.418907 ETOT(band)= -1.558972 trlgG= -2.220904 logG= -0.653000 TDE= -4.394799 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038633 tlogG= -0.622660 logG= -0.661293 Density= 3.417263 ETOT(band)= -1.566711 trlgG= -2.236761 logG= -0.661293 TDE= -4.401002 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038514 tlogG= -0.627096 logG= -0.665610 Density= 3.416540 ETOT(band)= -1.570634 trlgG= -2.245101 logG= -0.665610 TDE= -4.404428 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038564 tlogG= -0.622338 logG= -0.660902 Density= 3.416865 ETOT(band)= -1.566965 trlgG= -2.236106 logG= -0.660902 TDE= -4.400411 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038571 tlogG= -0.620484 logG= -0.659054 Density= 3.417539 ETOT(band)= -1.565053 trlgG= -2.231100 logG= -0.659054 TDE= -4.397808 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038747 tlogG= -0.616757 logG= -0.655505 Density= 3.418625 ETOT(band)= -1.561211 trlgG= -2.224781 logG= -0.655505 TDE= -4.395938 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038954 tlogG= -0.613461 logG= -0.652415 Density= 3.419741 ETOT(band)= -1.557577 trlgG= -2.220523 logG= -0.652415 TDE= -4.395692 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038644 tlogG= -0.622081 logG= -0.660725 Density= 3.417630 ETOT(band)= -1.565958 trlgG= -2.234944 logG= -0.660725 TDE= -4.400058 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038531 tlogG= -0.623555 logG= -0.662086 Density= 3.417172 ETOT(band)= -1.567644 trlgG= -2.236800 logG= -0.662086 TDE= -4.400174 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038530 tlogG= -0.620708 logG= -0.659238 Density= 3.417180 ETOT(band)= -1.565598 trlgG= -2.231742 logG= -0.659238 TDE= -4.397971 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038505 tlogG= -0.625341 logG= -0.663846 Density= 3.416613 ETOT(band)= -1.569377 trlgG= -2.241599 logG= -0.663846 TDE= -4.402750 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038676 tlogG= -0.619645 logG= -0.658321 Density= 3.417594 ETOT(band)= -1.564209 trlgG= -2.230695 logG= -0.658321 TDE= -4.398184 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038670 tlogG= -0.622687 logG= -0.661358 Density= 3.418243 ETOT(band)= -1.566141 trlgG= -2.234137 logG= -0.661358 TDE= -4.399125 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038820 tlogG= -0.617148 logG= -0.655968 Density= 3.418831 ETOT(band)= -1.561144 trlgG= -2.226105 logG= -0.655968 TDE= -4.396969 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038615 tlogG= -0.624739 logG= -0.663354 Density= 3.417096 ETOT(band)= -1.568367 trlgG= -2.240990 logG= -0.663354 TDE= -4.403033 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039184 tlogG= -0.609708 logG= -0.648891 Density= 3.420883 ETOT(band)= -1.553535 trlgG= -2.215194 logG= -0.648891 TDE= -4.394830 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038797 tlogG= -0.620486 logG= -0.659283 Density= 3.419284 ETOT(band)= -1.563663 trlgG= -2.229328 logG= -0.659283 TDE= -4.397251 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038968 tlogG= -0.613003 logG= -0.651972 Density= 3.419471 ETOT(band)= -1.557386 trlgG= -2.220582 logG= -0.651972 TDE= -4.395970 logGD-logG0= -0.038712 tlogG= -0.619900 logG= -0.658612 Density= 3.418207 ETOT(band)= -1.563914 trlgG= -2.230236 logG= -0.658612 TDE= -4.397940 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038884 tlogG= -0.614046 logG= -0.652930 Density= 3.419538 ETOT(band)= -1.558309 trlgG= -2.220270 logG= -0.652930 TDE= -4.394756 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038682 tlogG= -0.620085 logG= -0.658767 Density= 3.418140 ETOT(band)= -1.564022 trlgG= -2.229946 logG= -0.658767 TDE= -4.397439 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039063 tlogG= -0.610500 logG= -0.649562 Density= 3.420343 ETOT(band)= -1.554708 trlgG= -2.216109 logG= -0.649562 TDE= -4.394628 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038716 tlogG= -0.617435 logG= -0.656151 Density= 3.417913 ETOT(band)= -1.562286 trlgG= -2.227079 logG= -0.656151 TDE= -4.397000 logGD-logG0= -0.038729 tlogG= -0.619484 logG= -0.658213 Density= 3.418099 ETOT(band)= -1.563574 trlgG= -2.230027 logG= -0.658213 TDE= -4.398040 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038516 tlogG= -0.625656 logG= -0.664172 Density= 3.417004 ETOT(band)= -1.569328 trlgG= -2.240486 logG= -0.664172 TDE= -4.401635 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038581 tlogG= -0.623116 logG= -0.661697 Density= 3.417197 ETOT(band)= -1.567200 trlgG= -2.236845 logG= -0.661697 TDE= -4.400628 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038562 tlogG= -0.625211 logG= -0.663774 Density= 3.417036 ETOT(band)= -1.568874 trlgG= -2.241030 logG= -0.663774 TDE= -4.402604 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038865 tlogG= -0.615730 logG= -0.654595 Density= 3.418863 ETOT(band)= -1.560027 trlgG= -2.224594 logG= -0.654595 TDE= -4.396856 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038509 tlogG= -0.622706 logG= -0.661215 Density= 3.416865 ETOT(band)= -1.567309 trlgG= -2.236009 logG= -0.661215 TDE= -4.399999 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039026 tlogG= -0.612860 logG= -0.651885 Density= 3.419965 ETOT(band)= -1.556813 trlgG= -2.220091 logG= -0.651885 TDE= -4.395975 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038428 tlogG= -0.625803 logG= -0.664231 Density= 3.416455 ETOT(band)= -1.569924 trlgG= -2.241182 logG= -0.664231 TDE= -4.401818 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038819 tlogG= -0.617520 logG= -0.656338 Density= 3.419059 ETOT(band)= -1.561373 trlgG= -2.226004 logG= -0.656338 TDE= -4.396685 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038823 tlogG= -0.617874 logG= -0.656697 Density= 3.419309 ETOT(band)= -1.561564 trlgG= -2.225584 logG= -0.656697 TDE= -4.396115 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038461 tlogG= -0.623028 logG= -0.661488 Density= 3.416877 ETOT(band)= -1.567593 trlgG= -2.235919 logG= -0.661488 TDE= -4.399646 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038666 tlogG= -0.617841 logG= -0.656508 Density= 3.417907 ETOT(band)= -1.562680 trlgG= -2.227187 logG= -0.656508 TDE= -4.396747 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 Sum of eigenvalues= -1021.34175000711 eV TrLogG= -1457.58045416104 eV Ratio to renormalize= 0.999593536114 rho-rho_expected= 0.066687183308 nargs= 1 argi=dmft2.def 13) Finished k-point number 14 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 44) Finished k-point number 45 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 11) Finished k-point number 12 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 4) Finished k-point number 5 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 10) Finished k-point number 11 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800583112768552 0.802594222826489 0.802430651943208 0.800153059122480 0.803128832538333 0.802390494259105 0.800877923162337 0.802457926960622 0.802534142145201 0.800789205041460 0.802659463087481 0.802436470637591 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038516 tlogG= -0.625656 logG= -0.664173 Density= 3.417007 ETOT(band)= -1.569342 trlgG= -2.240500 logG= -0.664173 TDE= -4.401651 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038611 tlogG= -0.626503 logG= -0.665113 Density= 3.416833 ETOT(band)= -1.569863 trlgG= -2.244762 logG= -0.665113 TDE= -4.404828 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038694 tlogG= -0.620276 logG= -0.658970 Density= 3.418350 ETOT(band)= -1.564203 trlgG= -2.230132 logG= -0.658970 TDE= -4.397596 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038563 tlogG= -0.625211 logG= -0.663774 Density= 3.417038 ETOT(band)= -1.568887 trlgG= -2.241045 logG= -0.663774 TDE= -4.402620 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038954 tlogG= -0.613461 logG= -0.652415 Density= 3.419744 ETOT(band)= -1.557591 trlgG= -2.220539 logG= -0.652415 TDE= -4.395710 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038422 tlogG= -0.627652 logG= -0.666074 Density= 3.416288 ETOT(band)= -1.571367 trlgG= -2.244685 logG= -0.666074 TDE= -4.403339 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038584 tlogG= -0.624842 logG= -0.663426 Density= 3.416791 ETOT(band)= -1.568786 trlgG= -2.241464 logG= -0.663426 TDE= -4.403183 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038805 tlogG= -0.616246 logG= -0.655050 Density= 3.418731 ETOT(band)= -1.560644 trlgG= -2.224912 logG= -0.655050 TDE= -4.396610 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038729 tlogG= -0.619484 logG= -0.658213 Density= 3.418101 ETOT(band)= -1.563587 trlgG= -2.230042 logG= -0.658213 TDE= -4.398057 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038748 tlogG= -0.616757 logG= -0.655505 Density= 3.418627 ETOT(band)= -1.561224 trlgG= -2.224797 logG= -0.655505 TDE= -4.395955 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038564 tlogG= -0.622338 logG= -0.660902 Density= 3.416867 ETOT(band)= -1.566978 trlgG= -2.236121 logG= -0.660902 TDE= -4.400426 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038736 tlogG= -0.620290 logG= -0.659026 Density= 3.418688 ETOT(band)= -1.563876 trlgG= -2.229652 logG= -0.659026 TDE= -4.397340 logGD-logG0= -0.038866 tlogG= -0.615730 logG= -0.654596 Density= 3.418865 ETOT(band)= -1.560040 trlgG= -2.224609 logG= -0.654596 TDE= -4.396874 logGD-logG0= -0.038563 tlogG= -0.620454 logG= -0.659017 Density= 3.417031 ETOT(band)= -1.565489 trlgG= -2.231728 logG= -0.659017 TDE= -4.398054 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038794 tlogG= -0.614206 logG= -0.653000 Density= 3.418910 ETOT(band)= -1.558985 trlgG= -2.220919 logG= -0.653000 TDE= -4.394816 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038571 tlogG= -0.620483 logG= -0.659055 Density= 3.417541 ETOT(band)= -1.565067 trlgG= -2.231114 logG= -0.659055 TDE= -4.397824 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038797 tlogG= -0.620486 logG= -0.659283 Density= 3.419287 ETOT(band)= -1.563677 trlgG= -2.229342 logG= -0.659283 TDE= -4.397267 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038683 tlogG= -0.620084 logG= -0.658767 Density= 3.418142 ETOT(band)= -1.564035 trlgG= -2.229960 logG= -0.658767 TDE= -4.397455 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038506 tlogG= -0.620952 logG= -0.659457 Density= 3.417344 ETOT(band)= -1.565716 trlgG= -2.231936 logG= -0.659457 TDE= -4.398081 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038614 tlogG= -0.618219 logG= -0.656833 Density= 3.417907 ETOT(band)= -1.563056 trlgG= -2.227011 logG= -0.656833 TDE= -4.396245 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038634 tlogG= -0.622660 logG= -0.661294 Density= 3.417266 ETOT(band)= -1.566725 trlgG= -2.236775 logG= -0.661294 TDE= -4.401018 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038645 tlogG= -0.622081 logG= -0.660725 Density= 3.417633 ETOT(band)= -1.565971 trlgG= -2.234958 logG= -0.660725 TDE= -4.400073 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038514 tlogG= -0.627096 logG= -0.665610 Density= 3.416542 ETOT(band)= -1.570648 trlgG= -2.245116 logG= -0.665610 TDE= -4.404444 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038656 tlogG= -0.622405 logG= -0.661061 Density= 3.417920 ETOT(band)= -1.566099 trlgG= -2.234641 logG= -0.661061 TDE= -4.399658 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038581 tlogG= -0.623116 logG= -0.661697 Density= 3.417199 ETOT(band)= -1.567213 trlgG= -2.236859 logG= -0.661697 TDE= -4.400644 logGD-logG0= -0.039184 tlogG= -0.609707 logG= -0.648892 Density= 3.420886 ETOT(band)= -1.553547 trlgG= -2.215209 logG= -0.648892 TDE= -4.394848 logGD-logG0= -0.038942 tlogG= -0.611217 logG= -0.650159 Density= 3.419830 ETOT(band)= -1.555792 trlgG= -2.216122 logG= -0.650159 TDE= -4.393621 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038531 tlogG= -0.623555 logG= -0.662087 Density= 3.417174 ETOT(band)= -1.567658 trlgG= -2.236815 logG= -0.662087 TDE= -4.400189 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038820 tlogG= -0.617148 logG= -0.655968 Density= 3.418834 ETOT(band)= -1.561158 trlgG= -2.226120 logG= -0.655968 TDE= -4.396986 logGD-logG0= -0.038429 tlogG= -0.625803 logG= -0.664231 Density= 3.416458 ETOT(band)= -1.569938 trlgG= -2.241196 logG= -0.664231 TDE= -4.401834 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038667 tlogG= -0.617841 logG= -0.656508 Density= 3.417909 ETOT(band)= -1.562693 trlgG= -2.227203 logG= -0.656508 TDE= -4.396764 logGD-logG0= -0.038671 tlogG= -0.622687 logG= -0.661358 Density= 3.418246 ETOT(band)= -1.566155 trlgG= -2.234151 logG= -0.661358 TDE= -4.399141 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038713 tlogG= -0.619900 logG= -0.658612 Density= 3.418210 ETOT(band)= -1.563927 trlgG= -2.230251 logG= -0.658612 TDE= -4.397956 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038881 tlogG= -0.613619 logG= -0.652500 Density= 3.419193 ETOT(band)= -1.558208 trlgG= -2.221108 logG= -0.652500 TDE= -4.395738 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038510 tlogG= -0.622706 logG= -0.661216 Density= 3.416867 ETOT(band)= -1.567322 trlgG= -2.236023 logG= -0.661216 TDE= -4.400015 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038624 tlogG= -0.620085 logG= -0.658709 Density= 3.417562 ETOT(band)= -1.564674 trlgG= -2.231104 logG= -0.658709 TDE= -4.398177 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038531 tlogG= -0.620708 logG= -0.659239 Density= 3.417182 ETOT(band)= -1.565611 trlgG= -2.231756 logG= -0.659239 TDE= -4.397986 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038819 tlogG= -0.617519 logG= -0.656339 Density= 3.419061 ETOT(band)= -1.561386 trlgG= -2.226019 logG= -0.656339 TDE= -4.396702 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039026 tlogG= -0.612859 logG= -0.651886 Density= 3.419968 ETOT(band)= -1.556826 trlgG= -2.220107 logG= -0.651886 TDE= -4.395993 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038717 tlogG= -0.617435 logG= -0.656152 Density= 3.417916 ETOT(band)= -1.562300 trlgG= -2.227095 logG= -0.656152 TDE= -4.397018 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038676 tlogG= -0.619645 logG= -0.658321 Density= 3.417597 ETOT(band)= -1.564222 trlgG= -2.230710 logG= -0.658321 TDE= -4.398199 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038461 tlogG= -0.623028 logG= -0.661489 Density= 3.416879 ETOT(band)= -1.567606 trlgG= -2.235933 logG= -0.661489 TDE= -4.399661 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039063 tlogG= -0.610499 logG= -0.649563 Density= 3.420346 ETOT(band)= -1.554720 trlgG= -2.216125 logG= -0.649563 TDE= -4.394646 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038969 tlogG= -0.613003 logG= -0.651972 Density= 3.419474 ETOT(band)= -1.557399 trlgG= -2.220597 logG= -0.651972 TDE= -4.395988 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038823 tlogG= -0.617874 logG= -0.656697 Density= 3.419312 ETOT(band)= -1.561577 trlgG= -2.225599 logG= -0.656697 TDE= -4.396131 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038616 tlogG= -0.624739 logG= -0.663354 Density= 3.417098 ETOT(band)= -1.568381 trlgG= -2.241005 logG= -0.663354 TDE= -4.403049 logGD-logG0= -0.038506 tlogG= -0.625341 logG= -0.663847 Density= 3.416616 ETOT(band)= -1.569391 trlgG= -2.241614 logG= -0.663847 TDE= -4.402766 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038885 tlogG= -0.614046 logG= -0.652931 Density= 3.419541 ETOT(band)= -1.558323 trlgG= -2.220286 logG= -0.652931 TDE= -4.394774 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1021.35050782241 eV TrLogG= -1457.59142997224 eV Ratio to renormalize= 0.999592799093 rho-rho_expected= 0.066808153025 nargs= 1 argi=dmft2.def 21) Finished k-point number 22 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 7) Finished k-point number 8 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 41) Finished k-point number 42 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 11) Finished k-point number 12 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 45) Finished k-point number 46 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800586722955847 0.802604080303854 0.802438115327316 0.800156514914777 0.803138855485597 0.802397884797371 0.800881436805474 0.802467892172390 0.802541602066170 0.800792616696643 0.802669433936560 0.802443952802931 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038657 tlogG= -0.622409 logG= -0.661066 Density= 3.417924 ETOT(band)= -1.566118 trlgG= -2.234665 logG= -0.661066 TDE= -4.399681 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038806 tlogG= -0.616249 logG= -0.655055 Density= 3.418735 ETOT(band)= -1.560663 trlgG= -2.224938 logG= -0.655055 TDE= -4.396635 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038423 tlogG= -0.627655 logG= -0.666079 Density= 3.416292 ETOT(band)= -1.571386 trlgG= -2.244709 logG= -0.666079 TDE= -4.403362 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038635 tlogG= -0.622663 logG= -0.661298 Density= 3.417270 ETOT(band)= -1.566744 trlgG= -2.236799 logG= -0.661298 TDE= -4.401041 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038564 tlogG= -0.620457 logG= -0.659021 Density= 3.417036 ETOT(band)= -1.565508 trlgG= -2.231751 logG= -0.659021 TDE= -4.398077 logGD-logG0= -0.038612 tlogG= -0.626506 logG= -0.665118 Density= 3.416837 ETOT(band)= -1.569882 trlgG= -2.244787 logG= -0.665118 TDE= -4.404851 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038882 tlogG= -0.613622 logG= -0.652504 Density= 3.419198 ETOT(band)= -1.558227 trlgG= -2.221133 logG= -0.652504 TDE= -4.395764 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038795 tlogG= -0.614209 logG= -0.653004 Density= 3.418914 ETOT(band)= -1.559004 trlgG= -2.220945 logG= -0.653004 TDE= -4.394841 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038585 tlogG= -0.624845 logG= -0.663430 Density= 3.416795 ETOT(band)= -1.568805 trlgG= -2.241489 logG= -0.663430 TDE= -4.403206 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038507 tlogG= -0.625345 logG= -0.663851 Density= 3.416620 ETOT(band)= -1.569410 trlgG= -2.241638 logG= -0.663851 TDE= -4.402790 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038573 tlogG= -0.620487 logG= -0.659059 Density= 3.417545 ETOT(band)= -1.565086 trlgG= -2.231138 logG= -0.659059 TDE= -4.397847 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038696 tlogG= -0.620279 logG= -0.658975 Density= 3.418355 ETOT(band)= -1.564222 trlgG= -2.230156 logG= -0.658975 TDE= -4.397619 logGD-logG0= -0.038566 tlogG= -0.622341 logG= -0.660906 Density= 3.416871 ETOT(band)= -1.566997 trlgG= -2.236145 logG= -0.660906 TDE= -4.400450 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038517 tlogG= -0.625660 logG= -0.664177 Density= 3.417011 ETOT(band)= -1.569361 trlgG= -2.240524 logG= -0.664177 TDE= -4.401674 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038672 tlogG= -0.622690 logG= -0.661363 Density= 3.418250 ETOT(band)= -1.566174 trlgG= -2.234175 logG= -0.661363 TDE= -4.399163 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.038731 tlogG= -0.619487 logG= -0.658218 Density= 3.418106 ETOT(band)= -1.563606 trlgG= -2.230066 logG= -0.658218 TDE= -4.398080 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038749 tlogG= -0.616761 logG= -0.655509 Density= 3.418632 ETOT(band)= -1.561244 trlgG= -2.224822 logG= -0.655509 TDE= -4.395980 logGD-logG0= -0.038532 tlogG= -0.623559 logG= -0.662091 Density= 3.417178 ETOT(band)= -1.567677 trlgG= -2.236838 logG= -0.662091 TDE= -4.400212 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038507 tlogG= -0.620955 logG= -0.659462 Density= 3.417348 ETOT(band)= -1.565736 trlgG= -2.231960 logG= -0.659462 TDE= -4.398103 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038970 tlogG= -0.613006 logG= -0.651976 Density= 3.419478 ETOT(band)= -1.557418 trlgG= -2.220623 logG= -0.651976 TDE= -4.396013 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038564 tlogG= -0.625215 logG= -0.663779 Density= 3.417043 ETOT(band)= -1.568907 trlgG= -2.241069 logG= -0.663779 TDE= -4.402643 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038615 tlogG= -0.618223 logG= -0.656837 Density= 3.417911 ETOT(band)= -1.563075 trlgG= -2.227036 logG= -0.656837 TDE= -4.396269 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039065 tlogG= -0.610502 logG= -0.649567 Density= 3.420351 ETOT(band)= -1.554739 trlgG= -2.216150 logG= -0.649567 TDE= -4.394672 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038943 tlogG= -0.611220 logG= -0.650163 Density= 3.419835 ETOT(band)= -1.555811 trlgG= -2.216147 logG= -0.650163 TDE= -4.393646 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039028 tlogG= -0.612862 logG= -0.651890 Density= 3.419973 ETOT(band)= -1.556845 trlgG= -2.220133 logG= -0.651890 TDE= -4.396018 logGD-logG0= -0.038824 tlogG= -0.617877 logG= -0.656701 Density= 3.419316 ETOT(band)= -1.561596 trlgG= -2.225624 logG= -0.656701 TDE= -4.396155 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038714 tlogG= -0.619903 logG= -0.658617 Density= 3.418214 ETOT(band)= -1.563947 trlgG= -2.230275 logG= -0.658617 TDE= -4.397980 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038430 tlogG= -0.625806 logG= -0.664236 Density= 3.416462 ETOT(band)= -1.569957 trlgG= -2.241220 logG= -0.664236 TDE= -4.401857 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038532 tlogG= -0.620711 logG= -0.659243 Density= 3.417187 ETOT(band)= -1.565631 trlgG= -2.231780 logG= -0.659243 TDE= -4.398009 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038821 tlogG= -0.617523 logG= -0.656343 Density= 3.419066 ETOT(band)= -1.561405 trlgG= -2.226044 logG= -0.656343 TDE= -4.396726 logGD-logG0= -0.038684 tlogG= -0.620088 logG= -0.658772 Density= 3.418146 ETOT(band)= -1.564055 trlgG= -2.229984 logG= -0.658772 TDE= -4.397478 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038646 tlogG= -0.622084 logG= -0.660730 Density= 3.417637 ETOT(band)= -1.565991 trlgG= -2.234982 logG= -0.660730 TDE= -4.400097 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038867 tlogG= -0.615733 logG= -0.654600 Density= 3.418870 ETOT(band)= -1.560059 trlgG= -2.224635 logG= -0.654600 TDE= -4.396899 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=118 logGD-logG0= -0.038798 tlogG= -0.620490 logG= -0.659288 Density= 3.419291 ETOT(band)= -1.563696 trlgG= -2.229365 logG= -0.659288 TDE= -4.397289 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038886 tlogG= -0.614049 logG= -0.652935 Density= 3.419546 ETOT(band)= -1.558342 trlgG= -2.220312 logG= -0.652935 TDE= -4.394799 logGD-logG0= -0.038511 tlogG= -0.622709 logG= -0.661220 Density= 3.416871 ETOT(band)= -1.567342 trlgG= -2.236047 logG= -0.661220 TDE= -4.400038 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038583 tlogG= -0.623119 logG= -0.661702 Density= 3.417203 ETOT(band)= -1.567233 trlgG= -2.236883 logG= -0.661702 TDE= -4.400667 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038617 tlogG= -0.624742 logG= -0.663359 Density= 3.417103 ETOT(band)= -1.568400 trlgG= -2.241029 logG= -0.663359 TDE= -4.403073 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039186 tlogG= -0.609710 logG= -0.648896 Density= 3.420891 ETOT(band)= -1.553566 trlgG= -2.215235 logG= -0.648896 TDE= -4.394873 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038515 tlogG= -0.627100 logG= -0.665615 Density= 3.416547 ETOT(band)= -1.570667 trlgG= -2.245140 logG= -0.665615 TDE= -4.404468 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038822 tlogG= -0.617151 logG= -0.655973 Density= 3.418838 ETOT(band)= -1.561177 trlgG= -2.226145 logG= -0.655973 TDE= -4.397010 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038718 tlogG= -0.617438 logG= -0.656156 Density= 3.417920 ETOT(band)= -1.562319 trlgG= -2.227120 logG= -0.656156 TDE= -4.397042 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038737 tlogG= -0.620293 logG= -0.659031 Density= 3.418693 ETOT(band)= -1.563896 trlgG= -2.229676 logG= -0.659031 TDE= -4.397363 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038625 tlogG= -0.620088 logG= -0.658713 Density= 3.417566 ETOT(band)= -1.564693 trlgG= -2.231128 logG= -0.658713 TDE= -4.398200 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038678 tlogG= -0.619648 logG= -0.658325 Density= 3.417601 ETOT(band)= -1.564241 trlgG= -2.230733 logG= -0.658325 TDE= -4.398223 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038956 tlogG= -0.613464 logG= -0.652419 Density= 3.419748 ETOT(band)= -1.557609 trlgG= -2.220565 logG= -0.652419 TDE= -4.395735 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038668 tlogG= -0.617844 logG= -0.656512 Density= 3.417914 ETOT(band)= -1.562712 trlgG= -2.227228 logG= -0.656512 TDE= -4.396789 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038462 tlogG= -0.623031 logG= -0.661493 Density= 3.416883 ETOT(band)= -1.567626 trlgG= -2.235956 logG= -0.661493 TDE= -4.399684 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 Sum of eigenvalues= -1021.36303591927 eV TrLogG= -1457.60985483139 eV Ratio to renormalize= 0.999591501204 rho-rho_expected= 0.067021180681 nargs= 1 argi=dmft2.def 43) Finished k-point number 44 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 11) Finished k-point number 12 1 with #bands= 107 35) Finished k-point number 36 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 4) Finished k-point number 5 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 47) Finished k-point number 48 1 with #bands= 104 12) Finished k-point number 13 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800613050696005 0.802645677619068 0.802474118754223 0.800182493289653 0.803181320765796 0.802433018206396 0.800907575439308 0.802509652706299 0.802577505415235 0.800818412843580 0.802711255863355 0.802479934551818 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038664 tlogG= -0.622408 logG= -0.661072 Density= 3.417949 ETOT(band)= -1.566190 trlgG= -2.234744 logG= -0.661072 TDE= -4.399774 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038523 tlogG= -0.627099 logG= -0.665621 Density= 3.416571 ETOT(band)= -1.570738 trlgG= -2.245219 logG= -0.665621 TDE= -4.404561 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038573 tlogG= -0.622340 logG= -0.660913 Density= 3.416896 ETOT(band)= -1.567068 trlgG= -2.236224 logG= -0.660913 TDE= -4.400543 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038580 tlogG= -0.620486 logG= -0.659066 Density= 3.417570 ETOT(band)= -1.565157 trlgG= -2.231214 logG= -0.659066 TDE= -4.397938 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038524 tlogG= -0.625659 logG= -0.664184 Density= 3.417035 ETOT(band)= -1.569432 trlgG= -2.240601 logG= -0.664184 TDE= -4.401764 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038430 tlogG= -0.627655 logG= -0.666085 Density= 3.416317 ETOT(band)= -1.571457 trlgG= -2.244787 logG= -0.666085 TDE= -4.403455 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038721 tlogG= -0.619902 logG= -0.658623 Density= 3.418239 ETOT(band)= -1.564017 trlgG= -2.230354 logG= -0.658623 TDE= -4.398073 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038514 tlogG= -0.620955 logG= -0.659469 Density= 3.417373 ETOT(band)= -1.565807 trlgG= -2.232034 logG= -0.659469 TDE= -4.398191 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038703 tlogG= -0.620278 logG= -0.658981 Density= 3.418379 ETOT(band)= -1.564293 trlgG= -2.230234 logG= -0.658981 TDE= -4.397711 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038889 tlogG= -0.613621 logG= -0.652510 Density= 3.419224 ETOT(band)= -1.558296 trlgG= -2.221219 logG= -0.652510 TDE= -4.395866 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038756 tlogG= -0.616760 logG= -0.655516 Density= 3.418658 ETOT(band)= -1.561314 trlgG= -2.224905 logG= -0.655516 TDE= -4.396078 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038593 tlogG= -0.624844 logG= -0.663436 Density= 3.416820 ETOT(band)= -1.568876 trlgG= -2.241567 logG= -0.663436 TDE= -4.403300 logGD-logG0= -0.038540 tlogG= -0.623558 logG= -0.662098 Density= 3.417203 ETOT(band)= -1.567748 trlgG= -2.236915 logG= -0.662098 TDE= -4.400302 logGD-logG0= -0.038802 tlogG= -0.614208 logG= -0.653010 Density= 3.418941 ETOT(band)= -1.559074 trlgG= -2.221029 logG= -0.653010 TDE= -4.394941 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038619 tlogG= -0.626505 logG= -0.665124 Density= 3.416862 ETOT(band)= -1.569953 trlgG= -2.244865 logG= -0.665124 TDE= -4.404944 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038571 tlogG= -0.620456 logG= -0.659027 Density= 3.417060 ETOT(band)= -1.565578 trlgG= -2.231827 logG= -0.659027 TDE= -4.398167 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038518 tlogG= -0.622708 logG= -0.661227 Density= 3.416896 ETOT(band)= -1.567413 trlgG= -2.236125 logG= -0.661227 TDE= -4.400130 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038622 tlogG= -0.618222 logG= -0.656844 Density= 3.417936 ETOT(band)= -1.563145 trlgG= -2.227117 logG= -0.656844 TDE= -4.396364 logGD-logG0= -0.038590 tlogG= -0.623119 logG= -0.661708 Density= 3.417228 ETOT(band)= -1.567303 trlgG= -2.236961 logG= -0.661708 TDE= -4.400759 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038832 tlogG= -0.617876 logG= -0.656708 Density= 3.419341 ETOT(band)= -1.561667 trlgG= -2.225704 logG= -0.656708 TDE= -4.396250 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038633 tlogG= -0.620087 logG= -0.658720 Density= 3.417591 ETOT(band)= -1.564763 trlgG= -2.231205 logG= -0.658720 TDE= -4.398291 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038539 tlogG= -0.620711 logG= -0.659250 Density= 3.417211 ETOT(band)= -1.565702 trlgG= -2.231856 logG= -0.659250 TDE= -4.398099 logGD-logG0= -0.038744 tlogG= -0.620293 logG= -0.659037 Density= 3.418717 ETOT(band)= -1.563967 trlgG= -2.229752 logG= -0.659037 TDE= -4.397453 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038437 tlogG= -0.625805 logG= -0.664242 Density= 3.416486 ETOT(band)= -1.570028 trlgG= -2.241296 logG= -0.664242 TDE= -4.401947 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038679 tlogG= -0.622690 logG= -0.661369 Density= 3.418274 ETOT(band)= -1.566246 trlgG= -2.234251 logG= -0.661369 TDE= -4.399252 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038813 tlogG= -0.616248 logG= -0.655061 Density= 3.418761 ETOT(band)= -1.560732 trlgG= -2.225024 logG= -0.655061 TDE= -4.396737 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038675 tlogG= -0.617844 logG= -0.656519 Density= 3.417939 ETOT(band)= -1.562783 trlgG= -2.227312 logG= -0.656519 TDE= -4.396887 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038514 tlogG= -0.625344 logG= -0.663858 Density= 3.416645 ETOT(band)= -1.569481 trlgG= -2.241717 logG= -0.663858 TDE= -4.402883 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038685 tlogG= -0.619647 logG= -0.658332 Density= 3.417627 ETOT(band)= -1.564311 trlgG= -2.230811 logG= -0.658332 TDE= -4.398315 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038691 tlogG= -0.620087 logG= -0.658778 Density= 3.418172 ETOT(band)= -1.564126 trlgG= -2.230061 logG= -0.658778 TDE= -4.397569 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038725 tlogG= -0.617437 logG= -0.656162 Density= 3.417946 ETOT(band)= -1.562389 trlgG= -2.227204 logG= -0.656162 TDE= -4.397141 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038642 tlogG= -0.622662 logG= -0.661305 Density= 3.417295 ETOT(band)= -1.566814 trlgG= -2.236877 logG= -0.661305 TDE= -4.401135 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038963 tlogG= -0.613463 logG= -0.652426 Density= 3.419775 ETOT(band)= -1.557678 trlgG= -2.220650 logG= -0.652426 TDE= -4.395837 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038624 tlogG= -0.624741 logG= -0.663365 Density= 3.417128 ETOT(band)= -1.568470 trlgG= -2.241108 logG= -0.663365 TDE= -4.403166 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039072 tlogG= -0.610501 logG= -0.649573 Density= 3.420379 ETOT(band)= -1.554807 trlgG= -2.216234 logG= -0.649573 TDE= -4.394773 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038738 tlogG= -0.619486 logG= -0.658224 Density= 3.418131 ETOT(band)= -1.563676 trlgG= -2.230147 logG= -0.658224 TDE= -4.398176 logGD-logG0= -0.038470 tlogG= -0.623031 logG= -0.661500 Density= 3.416908 ETOT(band)= -1.567697 trlgG= -2.236030 logG= -0.661500 TDE= -4.399772 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038571 tlogG= -0.625214 logG= -0.663785 Density= 3.417067 ETOT(band)= -1.568977 trlgG= -2.241148 logG= -0.663785 TDE= -4.402736 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038950 tlogG= -0.611219 logG= -0.650169 Density= 3.419862 ETOT(band)= -1.555879 trlgG= -2.216232 logG= -0.650169 TDE= -4.393747 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038829 tlogG= -0.617150 logG= -0.655979 Density= 3.418864 ETOT(band)= -1.561247 trlgG= -2.226228 logG= -0.655979 TDE= -4.397108 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038828 tlogG= -0.617522 logG= -0.656350 Density= 3.419091 ETOT(band)= -1.561476 trlgG= -2.226127 logG= -0.656350 TDE= -4.396824 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038875 tlogG= -0.615731 logG= -0.654606 Density= 3.418897 ETOT(band)= -1.560128 trlgG= -2.224721 logG= -0.654606 TDE= -4.397001 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038653 tlogG= -0.622083 logG= -0.660736 Density= 3.417662 ETOT(band)= -1.566061 trlgG= -2.235061 logG= -0.660736 TDE= -4.400190 logGD-logG0= -0.039035 tlogG= -0.612861 logG= -0.651896 Density= 3.420000 ETOT(band)= -1.556913 trlgG= -2.220218 logG= -0.651896 TDE= -4.396120 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038893 tlogG= -0.614048 logG= -0.652941 Density= 3.419572 ETOT(band)= -1.558411 trlgG= -2.220396 logG= -0.652941 TDE= -4.394899 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038978 tlogG= -0.613005 logG= -0.651982 Density= 3.419506 ETOT(band)= -1.557487 trlgG= -2.220708 logG= -0.651982 TDE= -4.396115 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039193 tlogG= -0.609708 logG= -0.648902 Density= 3.420920 ETOT(band)= -1.553633 trlgG= -2.215318 logG= -0.648902 TDE= -4.394975 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038805 tlogG= -0.620489 logG= -0.659295 Density= 3.419315 ETOT(band)= -1.563768 trlgG= -2.229440 logG= -0.659295 TDE= -4.397377 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 Sum of eigenvalues= -1021.40891425896 eV TrLogG= -1457.67577317038 eV Ratio to renormalize= 0.999584056416 rho-rho_expected= 0.068243132994 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 3) Finished k-point number 4 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 20) Finished k-point number 21 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 24) Finished k-point number 25 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 11) Finished k-point number 12 1 with #bands= 107 7) Finished k-point number 8 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 21) Finished k-point number 22 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800585726245934 0.802597532868362 0.802435390188329 0.800155634228125 0.803132299021059 0.802395112056409 0.800880501250812 0.802461271975645 0.802538884519738 0.800791737314917 0.802662863617684 0.802441184224867 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038656 tlogG= -0.622409 logG= -0.661066 Density= 3.417923 ETOT(band)= -1.566111 trlgG= -2.234658 logG= -0.661066 TDE= -4.399672 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038532 tlogG= -0.623559 logG= -0.662091 Density= 3.417177 ETOT(band)= -1.567670 trlgG= -2.236831 logG= -0.662091 TDE= -4.400204 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038423 tlogG= -0.627656 logG= -0.666079 Density= 3.416290 ETOT(band)= -1.571379 trlgG= -2.244701 logG= -0.666079 TDE= -4.403354 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038748 tlogG= -0.616761 logG= -0.655510 Density= 3.418630 ETOT(band)= -1.561237 trlgG= -2.224814 logG= -0.655510 TDE= -4.395970 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038882 tlogG= -0.613623 logG= -0.652504 Density= 3.419196 ETOT(band)= -1.558220 trlgG= -2.221125 logG= -0.652504 TDE= -4.395754 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038805 tlogG= -0.616250 logG= -0.655055 Density= 3.418734 ETOT(band)= -1.560656 trlgG= -2.224929 logG= -0.655055 TDE= -4.396625 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038695 tlogG= -0.620280 logG= -0.658975 Density= 3.418353 ETOT(band)= -1.564215 trlgG= -2.230148 logG= -0.658975 TDE= -4.397610 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038645 tlogG= -0.622085 logG= -0.660730 Density= 3.417635 ETOT(band)= -1.565983 trlgG= -2.234975 logG= -0.660730 TDE= -4.400088 logGD-logG0= -0.038672 tlogG= -0.622691 logG= -0.661363 Density= 3.418248 ETOT(band)= -1.566167 trlgG= -2.234168 logG= -0.661363 TDE= -4.399155 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038565 tlogG= -0.622341 logG= -0.660907 Density= 3.416870 ETOT(band)= -1.566990 trlgG= -2.236138 logG= -0.660907 TDE= -4.400441 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038429 tlogG= -0.625807 logG= -0.664236 Density= 3.416460 ETOT(band)= -1.569950 trlgG= -2.241213 logG= -0.664236 TDE= -4.401848 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038824 tlogG= -0.617878 logG= -0.656702 Density= 3.419315 ETOT(band)= -1.561589 trlgG= -2.225616 logG= -0.656702 TDE= -4.396146 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038515 tlogG= -0.627100 logG= -0.665615 Density= 3.416545 ETOT(band)= -1.570660 trlgG= -2.245133 logG= -0.665615 TDE= -4.404459 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038612 tlogG= -0.626506 logG= -0.665118 Density= 3.416835 ETOT(band)= -1.569875 trlgG= -2.244779 logG= -0.665118 TDE= -4.404842 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038564 tlogG= -0.620457 logG= -0.659021 Density= 3.417034 ETOT(band)= -1.565501 trlgG= -2.231744 logG= -0.659021 TDE= -4.398068 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039027 tlogG= -0.612863 logG= -0.651890 Density= 3.419971 ETOT(band)= -1.556838 trlgG= -2.220124 logG= -0.651890 TDE= -4.396008 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038730 tlogG= -0.619488 logG= -0.658218 Density= 3.418104 ETOT(band)= -1.563599 trlgG= -2.230059 logG= -0.658218 TDE= -4.398071 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038517 tlogG= -0.625660 logG= -0.664177 Density= 3.417009 ETOT(band)= -1.569354 trlgG= -2.240517 logG= -0.664177 TDE= -4.401665 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038795 tlogG= -0.614210 logG= -0.653004 Density= 3.418913 ETOT(band)= -1.558997 trlgG= -2.220937 logG= -0.653004 TDE= -4.394831 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038585 tlogG= -0.624845 logG= -0.663430 Density= 3.416793 ETOT(band)= -1.568798 trlgG= -2.241481 logG= -0.663430 TDE= -4.403198 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038714 tlogG= -0.619903 logG= -0.658617 Density= 3.418213 ETOT(band)= -1.563940 trlgG= -2.230268 logG= -0.658617 TDE= -4.397971 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038511 tlogG= -0.622710 logG= -0.661220 Density= 3.416870 ETOT(band)= -1.567334 trlgG= -2.236040 logG= -0.661220 TDE= -4.400029 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038617 tlogG= -0.624743 logG= -0.663359 Density= 3.417101 ETOT(band)= -1.568393 trlgG= -2.241022 logG= -0.663359 TDE= -4.403064 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038677 tlogG= -0.619649 logG= -0.658326 Density= 3.417600 ETOT(band)= -1.564234 trlgG= -2.230726 logG= -0.658326 TDE= -4.398214 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038506 tlogG= -0.620955 logG= -0.659462 Density= 3.417347 ETOT(band)= -1.565728 trlgG= -2.231953 logG= -0.659462 TDE= -4.398095 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038737 tlogG= -0.620294 logG= -0.659031 Density= 3.418691 ETOT(band)= -1.563889 trlgG= -2.229669 logG= -0.659031 TDE= -4.397354 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038564 tlogG= -0.625215 logG= -0.663779 Density= 3.417041 ETOT(band)= -1.568899 trlgG= -2.241061 logG= -0.663779 TDE= -4.402634 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038635 tlogG= -0.622664 logG= -0.661298 Density= 3.417268 ETOT(band)= -1.566737 trlgG= -2.236792 logG= -0.661298 TDE= -4.401033 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038625 tlogG= -0.620089 logG= -0.658713 Density= 3.417564 ETOT(band)= -1.564686 trlgG= -2.231121 logG= -0.658713 TDE= -4.398191 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038867 tlogG= -0.615733 logG= -0.654600 Density= 3.418868 ETOT(band)= -1.560052 trlgG= -2.224627 logG= -0.654600 TDE= -4.396889 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=118 logGD-logG0= -0.039185 tlogG= -0.609711 logG= -0.648896 Density= 3.420889 ETOT(band)= -1.553559 trlgG= -2.215227 logG= -0.648896 TDE= -4.394863 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038572 tlogG= -0.620487 logG= -0.659060 Density= 3.417544 ETOT(band)= -1.565079 trlgG= -2.231131 logG= -0.659060 TDE= -4.397838 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038462 tlogG= -0.623032 logG= -0.661494 Density= 3.416882 ETOT(band)= -1.567618 trlgG= -2.235949 logG= -0.661494 TDE= -4.399675 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038582 tlogG= -0.623120 logG= -0.661702 Density= 3.417202 ETOT(band)= -1.567226 trlgG= -2.236876 logG= -0.661702 TDE= -4.400658 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038506 tlogG= -0.625345 logG= -0.663851 Density= 3.416618 ETOT(band)= -1.569403 trlgG= -2.241630 logG= -0.663851 TDE= -4.402781 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038531 tlogG= -0.620712 logG= -0.659243 Density= 3.417185 ETOT(band)= -1.565623 trlgG= -2.231773 logG= -0.659243 TDE= -4.398000 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038821 tlogG= -0.617152 logG= -0.655973 Density= 3.418837 ETOT(band)= -1.561170 trlgG= -2.226137 logG= -0.655973 TDE= -4.397001 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038820 tlogG= -0.617523 logG= -0.656343 Density= 3.419064 ETOT(band)= -1.561398 trlgG= -2.226036 logG= -0.656343 TDE= -4.396717 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038718 tlogG= -0.617439 logG= -0.656156 Density= 3.417919 ETOT(band)= -1.562312 trlgG= -2.227112 logG= -0.656156 TDE= -4.397033 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038615 tlogG= -0.618223 logG= -0.656838 Density= 3.417910 ETOT(band)= -1.563068 trlgG= -2.227028 logG= -0.656838 TDE= -4.396260 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038684 tlogG= -0.620088 logG= -0.658772 Density= 3.418145 ETOT(band)= -1.564047 trlgG= -2.229977 logG= -0.658772 TDE= -4.397469 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038668 tlogG= -0.617845 logG= -0.656513 Density= 3.417912 ETOT(band)= -1.562705 trlgG= -2.227220 logG= -0.656513 TDE= -4.396779 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038942 tlogG= -0.611221 logG= -0.650163 Density= 3.419833 ETOT(band)= -1.555804 trlgG= -2.216139 logG= -0.650163 TDE= -4.393636 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038970 tlogG= -0.613007 logG= -0.651977 Density= 3.419476 ETOT(band)= -1.557411 trlgG= -2.220615 logG= -0.651977 TDE= -4.396003 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038886 tlogG= -0.614050 logG= -0.652935 Density= 3.419544 ETOT(band)= -1.558335 trlgG= -2.220303 logG= -0.652935 TDE= -4.394789 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038955 tlogG= -0.613465 logG= -0.652420 Density= 3.419746 ETOT(band)= -1.557602 trlgG= -2.220557 logG= -0.652420 TDE= -4.395725 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039064 tlogG= -0.610503 logG= -0.649567 Density= 3.420349 ETOT(band)= -1.554732 trlgG= -2.216142 logG= -0.649567 TDE= -4.394661 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038798 tlogG= -0.620490 logG= -0.659288 Density= 3.419289 ETOT(band)= -1.563689 trlgG= -2.229358 logG= -0.659288 TDE= -4.397280 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 Sum of eigenvalues= -1021.35836255842 eV TrLogG= -1457.60397858244 eV Ratio to renormalize= 0.999592007171 rho-rho_expected= 0.066938134287 nargs= 1 argi=dmft2.def 15) Finished k-point number 16 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 3) Finished k-point number 4 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 45) Finished k-point number 46 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 40) Finished k-point number 41 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800631722290212 0.802733210386937 0.802534289498729 0.800200498812447 0.803266625523853 0.802495549899940 0.800925863043581 0.802597981027402 0.802637380573607 0.800836279042143 0.802798215218511 0.802540979150792 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038600 tlogG= -0.624857 logG= -0.663456 Density= 3.416848 ETOT(band)= -1.569026 trlgG= -2.241742 logG= -0.663456 TDE= -4.403478 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038763 tlogG= -0.616772 logG= -0.655535 Density= 3.418688 ETOT(band)= -1.561462 trlgG= -2.225089 logG= -0.655535 TDE= -4.396267 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038631 tlogG= -0.624754 logG= -0.663385 Density= 3.417156 ETOT(band)= -1.568621 trlgG= -2.241282 logG= -0.663385 TDE= -4.403344 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038626 tlogG= -0.626517 logG= -0.665144 Density= 3.416890 ETOT(band)= -1.570103 trlgG= -2.245039 logG= -0.665144 TDE= -4.405122 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038732 tlogG= -0.617449 logG= -0.656181 Density= 3.417976 ETOT(band)= -1.562537 trlgG= -2.227388 logG= -0.656181 TDE= -4.397332 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038897 tlogG= -0.613632 logG= -0.652529 Density= 3.419256 ETOT(band)= -1.558443 trlgG= -2.221406 logG= -0.652529 TDE= -4.396061 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038751 tlogG= -0.620306 logG= -0.659057 Density= 3.418745 ETOT(band)= -1.564118 trlgG= -2.229923 logG= -0.659057 TDE= -4.397626 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038671 tlogG= -0.622421 logG= -0.661092 Density= 3.417977 ETOT(band)= -1.566340 trlgG= -2.234918 logG= -0.661092 TDE= -4.399951 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038587 tlogG= -0.620499 logG= -0.659086 Density= 3.417598 ETOT(band)= -1.565308 trlgG= -2.231387 logG= -0.659086 TDE= -4.398113 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038521 tlogG= -0.620968 logG= -0.659488 Density= 3.417400 ETOT(band)= -1.565959 trlgG= -2.232202 logG= -0.659488 TDE= -4.398362 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038629 tlogG= -0.618234 logG= -0.656863 Density= 3.417965 ETOT(band)= -1.563295 trlgG= -2.227297 logG= -0.656863 TDE= -4.396549 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038578 tlogG= -0.620469 logG= -0.659047 Density= 3.417088 ETOT(band)= -1.565729 trlgG= -2.231996 logG= -0.659047 TDE= -4.398340 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038546 tlogG= -0.623571 logG= -0.662118 Density= 3.417230 ETOT(band)= -1.567900 trlgG= -2.237086 logG= -0.662118 TDE= -4.400476 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038649 tlogG= -0.622675 logG= -0.661324 Density= 3.417324 ETOT(band)= -1.566964 trlgG= -2.237051 logG= -0.661324 TDE= -4.401312 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038437 tlogG= -0.627668 logG= -0.666105 Density= 3.416344 ETOT(band)= -1.571609 trlgG= -2.244963 logG= -0.666105 TDE= -4.403633 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038597 tlogG= -0.623131 logG= -0.661728 Density= 3.417256 ETOT(band)= -1.567454 trlgG= -2.237135 logG= -0.661728 TDE= -4.400936 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038529 tlogG= -0.627112 logG= -0.665641 Density= 3.416599 ETOT(band)= -1.570889 trlgG= -2.245394 logG= -0.665641 TDE= -4.404739 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038686 tlogG= -0.622704 logG= -0.661390 Density= 3.418301 ETOT(band)= -1.566397 trlgG= -2.234422 logG= -0.661390 TDE= -4.399425 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038710 tlogG= -0.620291 logG= -0.659001 Density= 3.418408 ETOT(band)= -1.564444 trlgG= -2.230408 logG= -0.659001 TDE= -4.397889 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038546 tlogG= -0.620724 logG= -0.659269 Density= 3.417239 ETOT(band)= -1.565853 trlgG= -2.232026 logG= -0.659269 TDE= -4.398272 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038578 tlogG= -0.625227 logG= -0.663805 Density= 3.417095 ETOT(band)= -1.569128 trlgG= -2.241323 logG= -0.663805 TDE= -4.402914 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038836 tlogG= -0.617162 logG= -0.655998 Density= 3.418895 ETOT(band)= -1.561395 trlgG= -2.226411 logG= -0.655998 TDE= -4.397297 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038820 tlogG= -0.616260 logG= -0.655080 Density= 3.418792 ETOT(band)= -1.560880 trlgG= -2.225213 logG= -0.655080 TDE= -4.396932 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038728 tlogG= -0.619915 logG= -0.658643 Density= 3.418268 ETOT(band)= -1.564167 trlgG= -2.230531 logG= -0.658643 TDE= -4.398254 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038580 tlogG= -0.622353 logG= -0.660932 Density= 3.416924 ETOT(band)= -1.567219 trlgG= -2.236398 logG= -0.660932 TDE= -4.400720 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038882 tlogG= -0.615743 logG= -0.654625 Density= 3.418928 ETOT(band)= -1.560275 trlgG= -2.224909 logG= -0.654625 TDE= -4.397196 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038810 tlogG= -0.614219 logG= -0.653029 Density= 3.418972 ETOT(band)= -1.559221 trlgG= -2.221214 logG= -0.653029 TDE= -4.395133 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039080 tlogG= -0.610511 logG= -0.649591 Density= 3.420414 ETOT(band)= -1.554951 trlgG= -2.216419 logG= -0.649591 TDE= -4.394968 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038640 tlogG= -0.620100 logG= -0.658739 Density= 3.417620 ETOT(band)= -1.564913 trlgG= -2.231376 logG= -0.658739 TDE= -4.398467 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038660 tlogG= -0.622096 logG= -0.660756 Density= 3.417691 ETOT(band)= -1.566211 trlgG= -2.235235 logG= -0.660756 TDE= -4.400368 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038698 tlogG= -0.620100 logG= -0.658798 Density= 3.418200 ETOT(band)= -1.564276 trlgG= -2.230233 logG= -0.658798 TDE= -4.397745 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038531 tlogG= -0.625673 logG= -0.664204 Density= 3.417062 ETOT(band)= -1.569584 trlgG= -2.240775 logG= -0.664204 TDE= -4.401940 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039201 tlogG= -0.609719 logG= -0.648919 Density= 3.420956 ETOT(band)= -1.553776 trlgG= -2.215501 logG= -0.648919 TDE= -4.395170 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038682 tlogG= -0.617856 logG= -0.656538 Density= 3.417968 ETOT(band)= -1.562932 trlgG= -2.227495 logG= -0.656538 TDE= -4.397075 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038444 tlogG= -0.625819 logG= -0.664263 Density= 3.416513 ETOT(band)= -1.570180 trlgG= -2.241469 logG= -0.664263 TDE= -4.402121 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038835 tlogG= -0.617534 logG= -0.656369 Density= 3.419121 ETOT(band)= -1.561625 trlgG= -2.226310 logG= -0.656369 TDE= -4.397011 logGD-logG0= -0.038521 tlogG= -0.625357 logG= -0.663878 Density= 3.416672 ETOT(band)= -1.569632 trlgG= -2.241892 logG= -0.663878 TDE= -4.403061 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038970 tlogG= -0.613474 logG= -0.652444 Density= 3.419808 ETOT(band)= -1.557825 trlgG= -2.220838 logG= -0.652444 TDE= -4.396033 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038812 tlogG= -0.620503 logG= -0.659315 Density= 3.419342 ETOT(band)= -1.563919 trlgG= -2.229609 logG= -0.659315 TDE= -4.397548 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038839 tlogG= -0.617889 logG= -0.656728 Density= 3.419370 ETOT(band)= -1.561817 trlgG= -2.225884 logG= -0.656728 TDE= -4.396433 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039042 tlogG= -0.612872 logG= -0.651914 Density= 3.420034 ETOT(band)= -1.557058 trlgG= -2.220404 logG= -0.651914 TDE= -4.396315 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038901 tlogG= -0.614060 logG= -0.652960 Density= 3.419604 ETOT(band)= -1.558558 trlgG= -2.220581 logG= -0.652960 TDE= -4.395091 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038745 tlogG= -0.619499 logG= -0.658244 Density= 3.418161 ETOT(band)= -1.563825 trlgG= -2.230325 logG= -0.658244 TDE= -4.398359 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038692 tlogG= -0.619659 logG= -0.658351 Density= 3.417656 ETOT(band)= -1.564460 trlgG= -2.230983 logG= -0.658351 TDE= -4.398492 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038985 tlogG= -0.613016 logG= -0.652001 Density= 3.419539 ETOT(band)= -1.557632 trlgG= -2.220894 logG= -0.652001 TDE= -4.396310 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038525 tlogG= -0.622721 logG= -0.661247 Density= 3.416923 ETOT(band)= -1.567564 trlgG= -2.236299 logG= -0.661247 TDE= -4.400307 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038476 tlogG= -0.623044 logG= -0.661520 Density= 3.416935 ETOT(band)= -1.567849 trlgG= -2.236200 logG= -0.661520 TDE= -4.399944 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038958 tlogG= -0.611229 logG= -0.650187 Density= 3.419896 ETOT(band)= -1.556024 trlgG= -2.216416 logG= -0.650187 TDE= -4.393941 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1021.50646232528 eV TrLogG= -1457.80744514453 eV Ratio to renormalize= 0.999575501100 rho-rho_expected= 0.069647384788 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 4) Finished k-point number 5 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 29) Finished k-point number 30 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 33) Finished k-point number 34 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 9) Finished k-point number 10 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 43) Finished k-point number 44 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800579395786493 0.802676979925114 0.802472833477057 0.800148064840411 0.803212673430936 0.802432346448404 0.800873685377949 0.802541618364690 0.802576120239683 0.800784194682823 0.802742271295492 0.802479327072808 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038552 tlogG= -0.622460 logG= -0.661012 Density= 3.417946 ETOT(band)= -1.566263 trlgG= -2.234757 logG= -0.661012 TDE= -4.399844 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038924 tlogG= -0.612912 logG= -0.651836 Density= 3.420018 ETOT(band)= -1.556971 trlgG= -2.220221 logG= -0.651836 TDE= -4.396197 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038319 tlogG= -0.627707 logG= -0.666026 Density= 3.416310 ETOT(band)= -1.571534 trlgG= -2.244805 logG= -0.666026 TDE= -4.403526 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038782 tlogG= -0.614099 logG= -0.652881 Density= 3.419592 ETOT(band)= -1.558466 trlgG= -2.220396 logG= -0.652881 TDE= -4.394976 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038779 tlogG= -0.613671 logG= -0.652450 Density= 3.419237 ETOT(band)= -1.558357 trlgG= -2.221226 logG= -0.652450 TDE= -4.395943 logGD-logG0= -0.038567 tlogG= -0.622742 logG= -0.661309 Density= 3.418274 ETOT(band)= -1.566317 trlgG= -2.234263 logG= -0.661309 TDE= -4.399324 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038326 tlogG= -0.625857 logG= -0.664183 Density= 3.416479 ETOT(band)= -1.570106 trlgG= -2.241315 logG= -0.664183 TDE= -4.402019 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038509 tlogG= -0.626557 logG= -0.665065 Density= 3.416853 ETOT(band)= -1.570033 trlgG= -2.244885 logG= -0.665065 TDE= -4.405015 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038645 tlogG= -0.616811 logG= -0.655455 Density= 3.418666 ETOT(band)= -1.561378 trlgG= -2.224915 logG= -0.655455 TDE= -4.396155 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038511 tlogG= -0.618273 logG= -0.656784 Density= 3.417938 ETOT(band)= -1.563215 trlgG= -2.227130 logG= -0.656784 TDE= -4.396440 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038702 tlogG= -0.616299 logG= -0.655001 Density= 3.418768 ETOT(band)= -1.560798 trlgG= -2.225036 logG= -0.655001 TDE= -4.396814 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038428 tlogG= -0.623610 logG= -0.662038 Density= 3.417199 ETOT(band)= -1.567823 trlgG= -2.236930 logG= -0.662038 TDE= -4.400374 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038626 tlogG= -0.619538 logG= -0.658164 Density= 3.418129 ETOT(band)= -1.563750 trlgG= -2.230162 logG= -0.658164 TDE= -4.398249 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038462 tlogG= -0.622391 logG= -0.660853 Density= 3.416887 ETOT(band)= -1.567147 trlgG= -2.236242 logG= -0.660853 TDE= -4.400613 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038413 tlogG= -0.625711 logG= -0.664124 Density= 3.417031 ETOT(band)= -1.569507 trlgG= -2.240618 logG= -0.664124 TDE= -4.401836 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038691 tlogG= -0.614258 logG= -0.652950 Density= 3.418955 ETOT(band)= -1.559133 trlgG= -2.221034 logG= -0.652950 TDE= -4.395018 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039083 tlogG= -0.609759 logG= -0.648842 Density= 3.420949 ETOT(band)= -1.553682 trlgG= -2.215312 logG= -0.648842 TDE= -4.395052 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038610 tlogG= -0.619953 logG= -0.658563 Density= 3.418240 ETOT(band)= -1.564088 trlgG= -2.230367 logG= -0.658563 TDE= -4.398147 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038460 tlogG= -0.625266 logG= -0.663726 Density= 3.417061 ETOT(band)= -1.569054 trlgG= -2.241165 logG= -0.663726 TDE= -4.402807 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038867 tlogG= -0.613055 logG= -0.651923 Density= 3.419517 ETOT(band)= -1.557550 trlgG= -2.220716 logG= -0.651923 TDE= -4.396192 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038403 tlogG= -0.625396 logG= -0.663799 Density= 3.416636 ETOT(band)= -1.569560 trlgG= -2.241735 logG= -0.663799 TDE= -4.402953 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038591 tlogG= -0.620330 logG= -0.658921 Density= 3.418382 ETOT(band)= -1.564362 trlgG= -2.230244 logG= -0.658921 TDE= -4.397783 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038579 tlogG= -0.620138 logG= -0.658718 Density= 3.418169 ETOT(band)= -1.564198 trlgG= -2.230074 logG= -0.658718 TDE= -4.397640 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038460 tlogG= -0.620507 logG= -0.658967 Density= 3.417054 ETOT(band)= -1.565655 trlgG= -2.231843 logG= -0.658967 TDE= -4.398238 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038403 tlogG= -0.621006 logG= -0.659408 Density= 3.417369 ETOT(band)= -1.565880 trlgG= -2.232050 logG= -0.659408 TDE= -4.398264 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038521 tlogG= -0.620138 logG= -0.658660 Density= 3.417588 ETOT(band)= -1.564838 trlgG= -2.231219 logG= -0.658660 TDE= -4.398363 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038962 tlogG= -0.610551 logG= -0.649513 Density= 3.420409 ETOT(band)= -1.554855 trlgG= -2.216227 logG= -0.649513 TDE= -4.394850 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038412 tlogG= -0.627151 logG= -0.665562 Density= 3.416564 ETOT(band)= -1.570816 trlgG= -2.245238 logG= -0.665562 TDE= -4.404632 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038718 tlogG= -0.617201 logG= -0.655919 Density= 3.418869 ETOT(band)= -1.561314 trlgG= -2.226239 logG= -0.655919 TDE= -4.397183 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038478 tlogG= -0.623170 logG= -0.661649 Density= 3.417222 ETOT(band)= -1.567380 trlgG= -2.236978 logG= -0.661649 TDE= -4.400830 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038482 tlogG= -0.624896 logG= -0.663377 Density= 3.416810 ETOT(band)= -1.568956 trlgG= -2.241587 logG= -0.663377 TDE= -4.403370 logGD-logG0= -0.038614 tlogG= -0.617488 logG= -0.656102 Density= 3.417944 ETOT(band)= -1.562462 trlgG= -2.227221 logG= -0.656102 TDE= -4.397217 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038840 tlogG= -0.611269 logG= -0.650109 Density= 3.419892 ETOT(band)= -1.555927 trlgG= -2.216224 logG= -0.650109 TDE= -4.393824 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038852 tlogG= -0.613513 logG= -0.652365 Density= 3.419794 ETOT(band)= -1.557735 trlgG= -2.220652 logG= -0.652365 TDE= -4.395915 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038531 tlogG= -0.622714 logG= -0.661245 Density= 3.417288 ETOT(band)= -1.566893 trlgG= -2.236895 logG= -0.661245 TDE= -4.401205 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038564 tlogG= -0.617894 logG= -0.656459 Density= 3.417939 ETOT(band)= -1.562854 trlgG= -2.227326 logG= -0.656459 TDE= -4.396961 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038428 tlogG= -0.620762 logG= -0.659190 Density= 3.417206 ETOT(band)= -1.565777 trlgG= -2.231871 logG= -0.659190 TDE= -4.398170 logGD-logG0= -0.038407 tlogG= -0.622760 logG= -0.661167 Density= 3.416888 ETOT(band)= -1.567490 trlgG= -2.236142 logG= -0.661167 TDE= -4.400201 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038574 tlogG= -0.619698 logG= -0.658272 Density= 3.417621 ETOT(band)= -1.564388 trlgG= -2.230827 logG= -0.658272 TDE= -4.398387 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038764 tlogG= -0.615782 logG= -0.654546 Density= 3.418901 ETOT(band)= -1.560196 trlgG= -2.224735 logG= -0.654546 TDE= -4.397078 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=118 logGD-logG0= -0.038513 tlogG= -0.624793 logG= -0.663306 Density= 3.417120 ETOT(band)= -1.568549 trlgG= -2.241126 logG= -0.663306 TDE= -4.403236 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038693 tlogG= -0.620541 logG= -0.659234 Density= 3.419319 ETOT(band)= -1.563834 trlgG= -2.229448 logG= -0.659234 TDE= -4.397449 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038720 tlogG= -0.617928 logG= -0.656647 Density= 3.419351 ETOT(band)= -1.561730 trlgG= -2.225711 logG= -0.656647 TDE= -4.396325 logGD-logG0= -0.038716 tlogG= -0.617573 logG= -0.656289 Density= 3.419098 ETOT(band)= -1.561541 trlgG= -2.226135 logG= -0.656289 TDE= -4.396898 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038468 tlogG= -0.620537 logG= -0.659006 Density= 3.417568 ETOT(band)= -1.565229 trlgG= -2.231228 logG= -0.659006 TDE= -4.398010 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038541 tlogG= -0.622135 logG= -0.660676 Density= 3.417656 ETOT(band)= -1.566137 trlgG= -2.235076 logG= -0.660676 TDE= -4.400260 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038358 tlogG= -0.623082 logG= -0.661440 Density= 3.416902 ETOT(band)= -1.567773 trlgG= -2.236049 logG= -0.661440 TDE= -4.399845 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038632 tlogG= -0.620344 logG= -0.658977 Density= 3.418718 ETOT(band)= -1.564037 trlgG= -2.229762 logG= -0.658977 TDE= -4.397523 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 Sum of eigenvalues= -1021.45466677910 eV TrLogG= -1457.68459376960 eV Ratio to renormalize= 0.999583549250 rho-rho_expected= 0.068326377637 nargs= 1 argi=dmft2.def 43) Finished k-point number 44 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 9) Finished k-point number 10 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 25) Finished k-point number 26 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 12) Finished k-point number 13 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 46) Finished k-point number 47 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800578934231645 0.802690116838672 0.802482263877863 0.800147461482936 0.803224606451594 0.802443007226096 0.800873131862512 0.802554883213716 0.802585501919781 0.800783485899339 0.802755166464865 0.802489115787132 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038509 tlogG= -0.626558 logG= -0.665067 Density= 3.416855 ETOT(band)= -1.570048 trlgG= -2.244902 logG= -0.665067 TDE= -4.405033 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038319 tlogG= -0.627708 logG= -0.666028 Density= 3.416311 ETOT(band)= -1.571550 trlgG= -2.244823 logG= -0.666028 TDE= -4.403543 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038413 tlogG= -0.625712 logG= -0.664126 Density= 3.417032 ETOT(band)= -1.569523 trlgG= -2.240635 logG= -0.664126 TDE= -4.401853 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038645 tlogG= -0.616812 logG= -0.655457 Density= 3.418668 ETOT(band)= -1.561393 trlgG= -2.224934 logG= -0.655457 TDE= -4.396174 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038513 tlogG= -0.624794 logG= -0.663308 Density= 3.417122 ETOT(band)= -1.568564 trlgG= -2.241143 logG= -0.663308 TDE= -4.403254 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038359 tlogG= -0.623083 logG= -0.661442 Density= 3.416903 ETOT(band)= -1.567788 trlgG= -2.236066 logG= -0.661442 TDE= -4.399862 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038580 tlogG= -0.620140 logG= -0.658719 Density= 3.418171 ETOT(band)= -1.564214 trlgG= -2.230091 logG= -0.658719 TDE= -4.397657 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038702 tlogG= -0.616300 logG= -0.655002 Density= 3.418770 ETOT(band)= -1.560813 trlgG= -2.225055 logG= -0.655002 TDE= -4.396834 logGD-logG0= -0.038591 tlogG= -0.620331 logG= -0.658922 Density= 3.418383 ETOT(band)= -1.564377 trlgG= -2.230262 logG= -0.658922 TDE= -4.397801 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038779 tlogG= -0.613673 logG= -0.652452 Density= 3.419239 ETOT(band)= -1.558372 trlgG= -2.221245 logG= -0.652452 TDE= -4.395963 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038461 tlogG= -0.620508 logG= -0.658969 Density= 3.417055 ETOT(band)= -1.565671 trlgG= -2.231860 logG= -0.658969 TDE= -4.398254 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038511 tlogG= -0.618274 logG= -0.656785 Density= 3.417940 ETOT(band)= -1.563230 trlgG= -2.227149 logG= -0.656785 TDE= -4.396458 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038692 tlogG= -0.614260 logG= -0.652951 Density= 3.418957 ETOT(band)= -1.559148 trlgG= -2.221054 logG= -0.652951 TDE= -4.395038 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038428 tlogG= -0.623611 logG= -0.662039 Density= 3.417200 ETOT(band)= -1.567838 trlgG= -2.236948 logG= -0.662039 TDE= -4.400391 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038718 tlogG= -0.617202 logG= -0.655920 Density= 3.418871 ETOT(band)= -1.561329 trlgG= -2.226257 logG= -0.655920 TDE= -4.397202 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038552 tlogG= -0.622461 logG= -0.661014 Density= 3.417947 ETOT(band)= -1.566278 trlgG= -2.234774 logG= -0.661014 TDE= -4.399861 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038568 tlogG= -0.622743 logG= -0.661311 Density= 3.418275 ETOT(band)= -1.566332 trlgG= -2.234280 logG= -0.661311 TDE= -4.399341 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038403 tlogG= -0.621007 logG= -0.659410 Density= 3.417370 ETOT(band)= -1.565896 trlgG= -2.232067 logG= -0.659410 TDE= -4.398281 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038610 tlogG= -0.619955 logG= -0.658565 Density= 3.418241 ETOT(band)= -1.564103 trlgG= -2.230385 logG= -0.658565 TDE= -4.398164 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038482 tlogG= -0.624897 logG= -0.663379 Density= 3.416812 ETOT(band)= -1.568971 trlgG= -2.241605 logG= -0.663379 TDE= -4.403387 logGD-logG0= -0.038460 tlogG= -0.625267 logG= -0.663727 Density= 3.417062 ETOT(band)= -1.569070 trlgG= -2.241182 logG= -0.663727 TDE= -4.402824 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038783 tlogG= -0.614100 logG= -0.652882 Density= 3.419594 ETOT(band)= -1.558481 trlgG= -2.220416 logG= -0.652882 TDE= -4.394996 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038462 tlogG= -0.622393 logG= -0.660855 Density= 3.416889 ETOT(band)= -1.567163 trlgG= -2.236259 logG= -0.660855 TDE= -4.400630 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038532 tlogG= -0.622715 logG= -0.661247 Density= 3.417289 ETOT(band)= -1.566908 trlgG= -2.236912 logG= -0.661247 TDE= -4.401222 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038412 tlogG= -0.627152 logG= -0.665564 Density= 3.416565 ETOT(band)= -1.570831 trlgG= -2.245255 logG= -0.665564 TDE= -4.404649 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038469 tlogG= -0.620539 logG= -0.659007 Density= 3.417570 ETOT(band)= -1.565245 trlgG= -2.231246 logG= -0.659007 TDE= -4.398027 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039083 tlogG= -0.609760 logG= -0.648844 Density= 3.420952 ETOT(band)= -1.553697 trlgG= -2.215330 logG= -0.648844 TDE= -4.395072 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038840 tlogG= -0.611270 logG= -0.650110 Density= 3.419895 ETOT(band)= -1.555941 trlgG= -2.216243 logG= -0.650110 TDE= -4.393844 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038574 tlogG= -0.619699 logG= -0.658273 Density= 3.417623 ETOT(band)= -1.564403 trlgG= -2.230845 logG= -0.658273 TDE= -4.398404 logGD-logG0= -0.038428 tlogG= -0.620763 logG= -0.659191 Density= 3.417208 ETOT(band)= -1.565792 trlgG= -2.231888 logG= -0.659191 TDE= -4.398186 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038925 tlogG= -0.612913 logG= -0.651838 Density= 3.420020 ETOT(band)= -1.556986 trlgG= -2.220240 logG= -0.651838 TDE= -4.396217 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038615 tlogG= -0.617489 logG= -0.656104 Density= 3.417946 ETOT(band)= -1.562477 trlgG= -2.227240 logG= -0.656104 TDE= -4.397236 logGD-logG0= -0.038407 tlogG= -0.622761 logG= -0.661169 Density= 3.416890 ETOT(band)= -1.567505 trlgG= -2.236160 logG= -0.661169 TDE= -4.400218 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038693 tlogG= -0.620542 logG= -0.659236 Density= 3.419321 ETOT(band)= -1.563850 trlgG= -2.229465 logG= -0.659236 TDE= -4.397466 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038326 tlogG= -0.625859 logG= -0.664185 Density= 3.416480 ETOT(band)= -1.570121 trlgG= -2.241333 logG= -0.664185 TDE= -4.402036 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038867 tlogG= -0.613057 logG= -0.651924 Density= 3.419519 ETOT(band)= -1.557564 trlgG= -2.220735 logG= -0.651924 TDE= -4.396212 logGD-logG0= -0.038479 tlogG= -0.623172 logG= -0.661650 Density= 3.417224 ETOT(band)= -1.567395 trlgG= -2.236995 logG= -0.661650 TDE= -4.400847 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038522 tlogG= -0.620140 logG= -0.658661 Density= 3.417589 ETOT(band)= -1.564853 trlgG= -2.231237 logG= -0.658661 TDE= -4.398380 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038542 tlogG= -0.622136 logG= -0.660678 Density= 3.417658 ETOT(band)= -1.566152 trlgG= -2.235094 logG= -0.660678 TDE= -4.400278 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038720 tlogG= -0.617929 logG= -0.656649 Density= 3.419353 ETOT(band)= -1.561745 trlgG= -2.225729 logG= -0.656649 TDE= -4.396343 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038627 tlogG= -0.619539 logG= -0.658166 Density= 3.418131 ETOT(band)= -1.563765 trlgG= -2.230180 logG= -0.658166 TDE= -4.398268 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038633 tlogG= -0.620346 logG= -0.658978 Density= 3.418720 ETOT(band)= -1.564052 trlgG= -2.229779 logG= -0.658978 TDE= -4.397540 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038764 tlogG= -0.615784 logG= -0.654548 Density= 3.418904 ETOT(band)= -1.560211 trlgG= -2.224754 logG= -0.654548 TDE= -4.397098 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038962 tlogG= -0.610552 logG= -0.649514 Density= 3.420412 ETOT(band)= -1.554870 trlgG= -2.216246 logG= -0.649514 TDE= -4.394870 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038852 tlogG= -0.613515 logG= -0.652367 Density= 3.419796 ETOT(band)= -1.557749 trlgG= -2.220672 logG= -0.652367 TDE= -4.395934 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038403 tlogG= -0.625397 logG= -0.663800 Density= 3.416637 ETOT(band)= -1.569575 trlgG= -2.241753 logG= -0.663800 TDE= -4.402971 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038564 tlogG= -0.617896 logG= -0.656460 Density= 3.417941 ETOT(band)= -1.562869 trlgG= -2.227345 logG= -0.656460 TDE= -4.396980 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038717 tlogG= -0.617574 logG= -0.656291 Density= 3.419100 ETOT(band)= -1.561556 trlgG= -2.226154 logG= -0.656291 TDE= -4.396917 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1021.46448519897 eV TrLogG= -1457.69733794780 eV Ratio to renormalize= 0.999583022320 rho-rho_expected= 0.068412866235 nargs= 1 argi=dmft2.def 2) Finished k-point number 3 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 1) Finished k-point number 2 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 107 12) Finished k-point number 13 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 11) Finished k-point number 12 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800562170319262 0.802690351925686 0.802478719992425 0.800130467743833 0.803225095882205 0.802439368989303 0.800856357634656 0.802555131530529 0.802581957772763 0.800766495166171 0.802754948877966 0.802486161423078 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038478 tlogG= -0.624891 logG= -0.663369 Density= 3.416799 ETOT(band)= -1.568936 trlgG= -2.241559 logG= -0.663369 TDE= -4.403342 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038316 tlogG= -0.627702 logG= -0.666018 Density= 3.416299 ETOT(band)= -1.571514 trlgG= -2.244778 logG= -0.666018 TDE= -4.403498 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038399 tlogG= -0.621001 logG= -0.659400 Density= 3.417357 ETOT(band)= -1.565860 trlgG= -2.232024 logG= -0.659400 TDE= -4.398238 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038458 tlogG= -0.622387 logG= -0.660845 Density= 3.416876 ETOT(band)= -1.567127 trlgG= -2.236214 logG= -0.660845 TDE= -4.400584 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038775 tlogG= -0.613666 logG= -0.652442 Density= 3.419227 ETOT(band)= -1.558336 trlgG= -2.221199 logG= -0.652442 TDE= -4.395917 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038623 tlogG= -0.619533 logG= -0.658156 Density= 3.418119 ETOT(band)= -1.563729 trlgG= -2.230135 logG= -0.658156 TDE= -4.398222 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038425 tlogG= -0.623605 logG= -0.662029 Density= 3.417187 ETOT(band)= -1.567803 trlgG= -2.236904 logG= -0.662029 TDE= -4.400347 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038698 tlogG= -0.616294 logG= -0.654992 Density= 3.418758 ETOT(band)= -1.560778 trlgG= -2.225010 logG= -0.654992 TDE= -4.396788 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038505 tlogG= -0.626552 logG= -0.665057 Density= 3.416842 ETOT(band)= -1.570012 trlgG= -2.244857 logG= -0.665057 TDE= -4.404987 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038688 tlogG= -0.614254 logG= -0.652941 Density= 3.418945 ETOT(band)= -1.559112 trlgG= -2.221009 logG= -0.652941 TDE= -4.394993 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038921 tlogG= -0.612907 logG= -0.651828 Density= 3.420008 ETOT(band)= -1.556950 trlgG= -2.220194 logG= -0.651828 TDE= -4.396171 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038322 tlogG= -0.625852 logG= -0.664175 Density= 3.416468 ETOT(band)= -1.570086 trlgG= -2.241289 logG= -0.664175 TDE= -4.401992 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038549 tlogG= -0.622455 logG= -0.661004 Density= 3.417935 ETOT(band)= -1.566243 trlgG= -2.234729 logG= -0.661004 TDE= -4.399816 logGD-logG0= -0.038404 tlogG= -0.622755 logG= -0.661159 Density= 3.416877 ETOT(band)= -1.567470 trlgG= -2.236115 logG= -0.661159 TDE= -4.400172 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038611 tlogG= -0.617483 logG= -0.656094 Density= 3.417933 ETOT(band)= -1.562442 trlgG= -2.227194 logG= -0.656094 TDE= -4.397189 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038409 tlogG= -0.625706 logG= -0.664116 Density= 3.417019 ETOT(band)= -1.569487 trlgG= -2.240591 logG= -0.664116 TDE= -4.401809 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038690 tlogG= -0.620536 logG= -0.659225 Density= 3.419308 ETOT(band)= -1.563814 trlgG= -2.229422 logG= -0.659225 TDE= -4.397423 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038641 tlogG= -0.616806 logG= -0.655447 Density= 3.418655 ETOT(band)= -1.561357 trlgG= -2.224889 logG= -0.655447 TDE= -4.396129 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038457 tlogG= -0.620502 logG= -0.658959 Density= 3.417042 ETOT(band)= -1.565635 trlgG= -2.231816 logG= -0.658959 TDE= -4.398210 logGD-logG0= -0.038587 tlogG= -0.620325 logG= -0.658912 Density= 3.418371 ETOT(band)= -1.564341 trlgG= -2.230217 logG= -0.658912 TDE= -4.397756 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038564 tlogG= -0.622737 logG= -0.661300 Density= 3.418262 ETOT(band)= -1.566296 trlgG= -2.234236 logG= -0.661300 TDE= -4.399297 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038779 tlogG= -0.614094 logG= -0.652872 Density= 3.419582 ETOT(band)= -1.558445 trlgG= -2.220370 logG= -0.652872 TDE= -4.394950 logGD-logG0= -0.038849 tlogG= -0.613508 logG= -0.652357 Density= 3.419784 ETOT(band)= -1.557714 trlgG= -2.220626 logG= -0.652357 TDE= -4.395888 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038456 tlogG= -0.625261 logG= -0.663717 Density= 3.417050 ETOT(band)= -1.569034 trlgG= -2.241137 logG= -0.663717 TDE= -4.402778 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038465 tlogG= -0.620532 logG= -0.658997 Density= 3.417557 ETOT(band)= -1.565209 trlgG= -2.231202 logG= -0.658997 TDE= -4.397983 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038475 tlogG= -0.623165 logG= -0.661640 Density= 3.417212 ETOT(band)= -1.567360 trlgG= -2.236950 logG= -0.661640 TDE= -4.400802 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038713 tlogG= -0.617568 logG= -0.656281 Density= 3.419087 ETOT(band)= -1.561520 trlgG= -2.226108 logG= -0.656281 TDE= -4.396871 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038629 tlogG= -0.620339 logG= -0.658968 Density= 3.418707 ETOT(band)= -1.564017 trlgG= -2.229735 logG= -0.658968 TDE= -4.397496 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038606 tlogG= -0.619949 logG= -0.658555 Density= 3.418229 ETOT(band)= -1.564068 trlgG= -2.230341 logG= -0.658555 TDE= -4.398119 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038408 tlogG= -0.627146 logG= -0.665554 Density= 3.416553 ETOT(band)= -1.570796 trlgG= -2.245210 logG= -0.665554 TDE= -4.404603 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038760 tlogG= -0.615778 logG= -0.654538 Density= 3.418891 ETOT(band)= -1.560175 trlgG= -2.224709 logG= -0.654538 TDE= -4.397052 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038958 tlogG= -0.610546 logG= -0.649505 Density= 3.420399 ETOT(band)= -1.554834 trlgG= -2.216201 logG= -0.649505 TDE= -4.394824 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038576 tlogG= -0.620134 logG= -0.658709 Density= 3.418158 ETOT(band)= -1.564178 trlgG= -2.230047 logG= -0.658709 TDE= -4.397613 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038424 tlogG= -0.620757 logG= -0.659181 Density= 3.417195 ETOT(band)= -1.565757 trlgG= -2.231844 logG= -0.659181 TDE= -4.398142 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038355 tlogG= -0.623077 logG= -0.661432 Density= 3.416890 ETOT(band)= -1.567753 trlgG= -2.236023 logG= -0.661432 TDE= -4.399818 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038836 tlogG= -0.611264 logG= -0.650100 Density= 3.419883 ETOT(band)= -1.555906 trlgG= -2.216197 logG= -0.650100 TDE= -4.393798 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038570 tlogG= -0.619693 logG= -0.658263 Density= 3.417611 ETOT(band)= -1.564367 trlgG= -2.230800 logG= -0.658263 TDE= -4.398359 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039080 tlogG= -0.609754 logG= -0.648834 Density= 3.420940 ETOT(band)= -1.553661 trlgG= -2.215285 logG= -0.648834 TDE= -4.395026 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038714 tlogG= -0.617196 logG= -0.655910 Density= 3.418859 ETOT(band)= -1.561293 trlgG= -2.226212 logG= -0.655910 TDE= -4.397156 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038507 tlogG= -0.618268 logG= -0.656775 Density= 3.417927 ETOT(band)= -1.563194 trlgG= -2.227104 logG= -0.656775 TDE= -4.396413 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038399 tlogG= -0.625391 logG= -0.663790 Density= 3.416625 ETOT(band)= -1.569540 trlgG= -2.241708 logG= -0.663790 TDE= -4.402925 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038528 tlogG= -0.622709 logG= -0.661237 Density= 3.417277 ETOT(band)= -1.566872 trlgG= -2.236867 logG= -0.661237 TDE= -4.401177 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038864 tlogG= -0.613050 logG= -0.651914 Density= 3.419507 ETOT(band)= -1.557529 trlgG= -2.220690 logG= -0.651914 TDE= -4.396166 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038518 tlogG= -0.620133 logG= -0.658651 Density= 3.417577 ETOT(band)= -1.564817 trlgG= -2.231193 logG= -0.658651 TDE= -4.398336 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038716 tlogG= -0.617923 logG= -0.656639 Density= 3.419340 ETOT(band)= -1.561710 trlgG= -2.225684 logG= -0.656639 TDE= -4.396298 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038561 tlogG= -0.617890 logG= -0.656450 Density= 3.417928 ETOT(band)= -1.562834 trlgG= -2.227299 logG= -0.656450 TDE= -4.396934 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038510 tlogG= -0.624788 logG= -0.663298 Density= 3.417109 ETOT(band)= -1.568529 trlgG= -2.241098 logG= -0.663298 TDE= -4.403208 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038538 tlogG= -0.622130 logG= -0.660668 Density= 3.417646 ETOT(band)= -1.566117 trlgG= -2.235048 logG= -0.660668 TDE= -4.400232 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1021.44127974565 eV TrLogG= -1457.66126555312 eV Ratio to renormalize= 0.999586711091 rho-rho_expected= 0.067807405078 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 37) Finished k-point number 38 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 23) Finished k-point number 24 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 19) Finished k-point number 20 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 21) Finished k-point number 22 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800555386795197 0.802687910545167 0.802474329063809 0.800123613383813 0.803222634161991 0.802435035935611 0.800849591605701 0.802552657104545 0.802577588739548 0.800759685306755 0.802752542200480 0.802481738946467 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038605 tlogG= -0.619948 logG= -0.658553 Density= 3.418225 ETOT(band)= -1.564045 trlgG= -2.230317 logG= -0.658553 TDE= -4.398094 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038424 tlogG= -0.623604 logG= -0.662028 Density= 3.417184 ETOT(band)= -1.567780 trlgG= -2.236880 logG= -0.662028 TDE= -4.400322 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038697 tlogG= -0.616293 logG= -0.654991 Density= 3.418754 ETOT(band)= -1.560755 trlgG= -2.224985 logG= -0.654991 TDE= -4.396762 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038548 tlogG= -0.622455 logG= -0.661002 Density= 3.417931 ETOT(band)= -1.566220 trlgG= -2.234705 logG= -0.661002 TDE= -4.399790 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038575 tlogG= -0.620133 logG= -0.658708 Density= 3.418154 ETOT(band)= -1.564156 trlgG= -2.230023 logG= -0.658708 TDE= -4.397587 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038563 tlogG= -0.622736 logG= -0.661299 Density= 3.418259 ETOT(band)= -1.566274 trlgG= -2.234213 logG= -0.661299 TDE= -4.399272 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038477 tlogG= -0.624890 logG= -0.663368 Density= 3.416795 ETOT(band)= -1.568913 trlgG= -2.241536 logG= -0.663368 TDE= -4.403316 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038456 tlogG= -0.625260 logG= -0.663716 Density= 3.417046 ETOT(band)= -1.569012 trlgG= -2.241113 logG= -0.663716 TDE= -4.402753 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038398 tlogG= -0.621000 logG= -0.659398 Density= 3.417354 ETOT(band)= -1.565838 trlgG= -2.232001 logG= -0.659398 TDE= -4.398213 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038315 tlogG= -0.627701 logG= -0.666016 Density= 3.416295 ETOT(band)= -1.571491 trlgG= -2.244754 logG= -0.666016 TDE= -4.403472 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038687 tlogG= -0.614253 logG= -0.652940 Density= 3.418941 ETOT(band)= -1.559090 trlgG= -2.220985 logG= -0.652940 TDE= -4.394967 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038407 tlogG= -0.627146 logG= -0.665553 Density= 3.416549 ETOT(band)= -1.570773 trlgG= -2.245186 logG= -0.665553 TDE= -4.404578 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038640 tlogG= -0.616805 logG= -0.655445 Density= 3.418652 ETOT(band)= -1.561335 trlgG= -2.224865 logG= -0.655445 TDE= -4.396103 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038456 tlogG= -0.620502 logG= -0.658958 Density= 3.417039 ETOT(band)= -1.565613 trlgG= -2.231793 logG= -0.658958 TDE= -4.398185 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038398 tlogG= -0.625391 logG= -0.663789 Density= 3.416621 ETOT(band)= -1.569517 trlgG= -2.241684 logG= -0.663789 TDE= -4.402899 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038774 tlogG= -0.613666 logG= -0.652440 Density= 3.419223 ETOT(band)= -1.558314 trlgG= -2.221175 logG= -0.652440 TDE= -4.395891 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038587 tlogG= -0.620324 logG= -0.658911 Density= 3.418367 ETOT(band)= -1.564319 trlgG= -2.230193 logG= -0.658911 TDE= -4.397730 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038457 tlogG= -0.622386 logG= -0.660843 Density= 3.416872 ETOT(band)= -1.567105 trlgG= -2.236190 logG= -0.660843 TDE= -4.400559 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038527 tlogG= -0.622709 logG= -0.661235 Density= 3.417273 ETOT(band)= -1.566850 trlgG= -2.236843 logG= -0.661235 TDE= -4.401151 logGD-logG0= -0.038408 tlogG= -0.625706 logG= -0.664114 Density= 3.417016 ETOT(band)= -1.569465 trlgG= -2.240567 logG= -0.664114 TDE= -4.401784 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038464 tlogG= -0.620532 logG= -0.658996 Density= 3.417554 ETOT(band)= -1.565187 trlgG= -2.231178 logG= -0.658996 TDE= -4.397957 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038517 tlogG= -0.620133 logG= -0.658650 Density= 3.417573 ETOT(band)= -1.564795 trlgG= -2.231169 logG= -0.658650 TDE= -4.398311 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038504 tlogG= -0.626552 logG= -0.665056 Density= 3.416839 ETOT(band)= -1.569990 trlgG= -2.244833 logG= -0.665056 TDE= -4.404962 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038835 tlogG= -0.611263 logG= -0.650099 Density= 3.419879 ETOT(band)= -1.555883 trlgG= -2.216173 logG= -0.650099 TDE= -4.393772 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038712 tlogG= -0.617568 logG= -0.656279 Density= 3.419083 ETOT(band)= -1.561498 trlgG= -2.226084 logG= -0.656279 TDE= -4.396845 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039079 tlogG= -0.609754 logG= -0.648832 Density= 3.420936 ETOT(band)= -1.553638 trlgG= -2.215261 logG= -0.648832 TDE= -4.395000 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038509 tlogG= -0.624788 logG= -0.663296 Density= 3.417105 ETOT(band)= -1.568506 trlgG= -2.241075 logG= -0.663296 TDE= -4.403183 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038474 tlogG= -0.623165 logG= -0.661639 Density= 3.417208 ETOT(band)= -1.567337 trlgG= -2.236926 logG= -0.661639 TDE= -4.400777 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038689 tlogG= -0.620535 logG= -0.659224 Density= 3.419304 ETOT(band)= -1.563792 trlgG= -2.229399 logG= -0.659224 TDE= -4.397398 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038537 tlogG= -0.622130 logG= -0.660666 Density= 3.417642 ETOT(band)= -1.566095 trlgG= -2.235025 logG= -0.660666 TDE= -4.400206 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038610 tlogG= -0.617483 logG= -0.656093 Density= 3.417930 ETOT(band)= -1.562419 trlgG= -2.227170 logG= -0.656093 TDE= -4.397164 logGD-logG0= -0.038713 tlogG= -0.617196 logG= -0.655909 Density= 3.418855 ETOT(band)= -1.561271 trlgG= -2.226188 logG= -0.655909 TDE= -4.397130 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038506 tlogG= -0.618267 logG= -0.656774 Density= 3.417923 ETOT(band)= -1.563172 trlgG= -2.227080 logG= -0.656774 TDE= -4.396387 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038569 tlogG= -0.619693 logG= -0.658262 Density= 3.417607 ETOT(band)= -1.564345 trlgG= -2.230777 logG= -0.658262 TDE= -4.398334 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038321 tlogG= -0.625852 logG= -0.664173 Density= 3.416464 ETOT(band)= -1.570063 trlgG= -2.241265 logG= -0.664173 TDE= -4.401966 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038423 tlogG= -0.620757 logG= -0.659180 Density= 3.417191 ETOT(band)= -1.565734 trlgG= -2.231821 logG= -0.659180 TDE= -4.398117 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038848 tlogG= -0.613508 logG= -0.652356 Density= 3.419780 ETOT(band)= -1.557691 trlgG= -2.220602 logG= -0.652356 TDE= -4.395862 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038957 tlogG= -0.610546 logG= -0.649503 Density= 3.420395 ETOT(band)= -1.554811 trlgG= -2.216176 logG= -0.649503 TDE= -4.394798 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038628 tlogG= -0.620339 logG= -0.658967 Density= 3.418703 ETOT(band)= -1.563994 trlgG= -2.229712 logG= -0.658967 TDE= -4.397470 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038759 tlogG= -0.615777 logG= -0.654536 Density= 3.418887 ETOT(band)= -1.560153 trlgG= -2.224684 logG= -0.654536 TDE= -4.397026 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038920 tlogG= -0.612906 logG= -0.651826 Density= 3.420004 ETOT(band)= -1.556928 trlgG= -2.220170 logG= -0.651826 TDE= -4.396145 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038622 tlogG= -0.619532 logG= -0.658154 Density= 3.418115 ETOT(band)= -1.563707 trlgG= -2.230112 logG= -0.658154 TDE= -4.398197 logGD-logG0= -0.038715 tlogG= -0.617922 logG= -0.656637 Density= 3.419336 ETOT(band)= -1.561687 trlgG= -2.225660 logG= -0.656637 TDE= -4.396272 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038778 tlogG= -0.614093 logG= -0.652871 Density= 3.419578 ETOT(band)= -1.558423 trlgG= -2.220346 logG= -0.652871 TDE= -4.394925 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038403 tlogG= -0.622755 logG= -0.661157 Density= 3.416873 ETOT(band)= -1.567448 trlgG= -2.236091 logG= -0.661157 TDE= -4.400147 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038863 tlogG= -0.613050 logG= -0.651913 Density= 3.419503 ETOT(band)= -1.557506 trlgG= -2.220665 logG= -0.651913 TDE= -4.396140 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038354 tlogG= -0.623077 logG= -0.661431 Density= 3.416887 ETOT(band)= -1.567730 trlgG= -2.236000 logG= -0.661431 TDE= -4.399794 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038560 tlogG= -0.617889 logG= -0.656449 Density= 3.417925 ETOT(band)= -1.562811 trlgG= -2.227275 logG= -0.656449 TDE= -4.396908 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 Sum of eigenvalues= -1021.42666879171 eV TrLogG= -1457.64372244004 eV Ratio to renormalize= 0.999587805019 rho-rho_expected= 0.067627852757 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 3) Finished k-point number 4 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 32) Finished k-point number 33 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800557174906389 0.802685852809940 0.802474697413288 0.800125454325280 0.803219791739761 0.802436173420148 0.800851358864526 0.802550612370022 0.802577972074099 0.800761545713033 0.802750906510271 0.802481632439057 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038430 tlogG= -0.624902 logG= -0.663332 Density= 3.416644 ETOT(band)= -1.569064 trlgG= -2.241638 logG= -0.663332 TDE= -4.403329 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038459 tlogG= -0.618279 logG= -0.656738 Density= 3.417764 ETOT(band)= -1.563330 trlgG= -2.227188 logG= -0.656738 TDE= -4.396399 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038501 tlogG= -0.622466 logG= -0.660967 Density= 3.417775 ETOT(band)= -1.566376 trlgG= -2.234811 logG= -0.660967 TDE= -4.399802 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038362 tlogG= -0.625718 logG= -0.664079 Density= 3.416863 ETOT(band)= -1.569617 trlgG= -2.240670 logG= -0.664079 TDE= -4.401795 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038351 tlogG= -0.621012 logG= -0.659363 Density= 3.417200 ETOT(band)= -1.565992 trlgG= -2.232104 logG= -0.659363 TDE= -4.398224 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038517 tlogG= -0.622748 logG= -0.661265 Density= 3.418102 ETOT(band)= -1.566431 trlgG= -2.234320 logG= -0.661265 TDE= -4.399283 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038558 tlogG= -0.619960 logG= -0.658518 Density= 3.418066 ETOT(band)= -1.564203 trlgG= -2.230425 logG= -0.658518 TDE= -4.398106 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038540 tlogG= -0.620336 logG= -0.658876 Density= 3.418208 ETOT(band)= -1.564478 trlgG= -2.230302 logG= -0.658876 TDE= -4.397742 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038410 tlogG= -0.622398 logG= -0.660808 Density= 3.416721 ETOT(band)= -1.567255 trlgG= -2.236292 logG= -0.660808 TDE= -4.400571 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038457 tlogG= -0.626563 logG= -0.665020 Density= 3.416686 ETOT(band)= -1.570141 trlgG= -2.244936 logG= -0.665020 TDE= -4.404974 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038650 tlogG= -0.616305 logG= -0.654955 Density= 3.418589 ETOT(band)= -1.560917 trlgG= -2.225098 logG= -0.654955 TDE= -4.396774 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039030 tlogG= -0.609765 logG= -0.648795 Density= 3.420749 ETOT(band)= -1.553817 trlgG= -2.215390 logG= -0.648795 TDE= -4.395013 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038562 tlogG= -0.617494 logG= -0.656057 Density= 3.417772 ETOT(band)= -1.562576 trlgG= -2.227277 logG= -0.656057 TDE= -4.397176 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038726 tlogG= -0.613677 logG= -0.652404 Density= 3.419053 ETOT(band)= -1.558480 trlgG= -2.221292 logG= -0.652404 TDE= -4.395903 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038712 tlogG= -0.615789 logG= -0.654500 Density= 3.418722 ETOT(band)= -1.560315 trlgG= -2.224797 logG= -0.654500 TDE= -4.397039 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=118 logGD-logG0= -0.038529 tlogG= -0.620145 logG= -0.658673 Density= 3.417998 ETOT(band)= -1.564312 trlgG= -2.230130 logG= -0.658673 TDE= -4.397599 logGD-logG0= -0.038376 tlogG= -0.620768 logG= -0.659144 Density= 3.417039 ETOT(band)= -1.565887 trlgG= -2.231923 logG= -0.659144 TDE= -4.398129 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038409 tlogG= -0.620514 logG= -0.658922 Density= 3.416887 ETOT(band)= -1.565764 trlgG= -2.231895 logG= -0.658922 TDE= -4.398197 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038490 tlogG= -0.622141 logG= -0.660632 Density= 3.417487 ETOT(band)= -1.566249 trlgG= -2.235130 logG= -0.660632 TDE= -4.400219 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038640 tlogG= -0.614264 logG= -0.652904 Density= 3.418772 ETOT(band)= -1.559256 trlgG= -2.221100 logG= -0.652904 TDE= -4.394979 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038377 tlogG= -0.623616 logG= -0.661993 Density= 3.417030 ETOT(band)= -1.567934 trlgG= -2.236984 logG= -0.661993 TDE= -4.400333 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038360 tlogG= -0.627157 logG= -0.665517 Density= 3.416397 ETOT(band)= -1.570924 trlgG= -2.245288 logG= -0.665517 TDE= -4.404590 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038268 tlogG= -0.627713 logG= -0.665981 Density= 3.416144 ETOT(band)= -1.571642 trlgG= -2.244855 logG= -0.665981 TDE= -4.403484 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038417 tlogG= -0.620544 logG= -0.658961 Density= 3.417398 ETOT(band)= -1.565342 trlgG= -2.231283 logG= -0.658961 TDE= -4.397969 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038593 tlogG= -0.616817 logG= -0.655410 Density= 3.418487 ETOT(band)= -1.561497 trlgG= -2.224977 logG= -0.655410 TDE= -4.396115 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038274 tlogG= -0.625864 logG= -0.664138 Density= 3.416313 ETOT(band)= -1.570214 trlgG= -2.241366 logG= -0.664138 TDE= -4.401978 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038665 tlogG= -0.617579 logG= -0.656244 Density= 3.418919 ETOT(band)= -1.561660 trlgG= -2.226197 logG= -0.656244 TDE= -4.396857 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038730 tlogG= -0.614105 logG= -0.652835 Density= 3.419405 ETOT(band)= -1.558592 trlgG= -2.220465 logG= -0.652835 TDE= -4.394937 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038480 tlogG= -0.622720 logG= -0.661200 Density= 3.417119 ETOT(band)= -1.567002 trlgG= -2.236947 logG= -0.661200 TDE= -4.401163 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038356 tlogG= -0.622766 logG= -0.661122 Density= 3.416722 ETOT(band)= -1.567599 trlgG= -2.236193 logG= -0.661122 TDE= -4.400159 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038872 tlogG= -0.612918 logG= -0.651790 Density= 3.419828 ETOT(band)= -1.557098 trlgG= -2.220291 logG= -0.651790 TDE= -4.396158 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038512 tlogG= -0.617901 logG= -0.656413 Density= 3.417766 ETOT(band)= -1.562968 trlgG= -2.227382 logG= -0.656413 TDE= -4.396920 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038470 tlogG= -0.620145 logG= -0.658614 Density= 3.417417 ETOT(band)= -1.564950 trlgG= -2.231274 logG= -0.658614 TDE= -4.398322 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038815 tlogG= -0.613061 logG= -0.651876 Density= 3.419332 ETOT(band)= -1.557673 trlgG= -2.220783 logG= -0.651876 TDE= -4.396152 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038462 tlogG= -0.624799 logG= -0.663261 Density= 3.416952 ETOT(band)= -1.568659 trlgG= -2.241178 logG= -0.663261 TDE= -4.403195 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038307 tlogG= -0.623088 logG= -0.661395 Density= 3.416735 ETOT(band)= -1.567882 trlgG= -2.236102 logG= -0.661395 TDE= -4.399805 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038575 tlogG= -0.619544 logG= -0.658119 Density= 3.417957 ETOT(band)= -1.563863 trlgG= -2.230219 logG= -0.658119 TDE= -4.398209 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038582 tlogG= -0.620350 logG= -0.658932 Density= 3.418544 ETOT(band)= -1.564153 trlgG= -2.229820 logG= -0.658932 TDE= -4.397482 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038787 tlogG= -0.611275 logG= -0.650062 Density= 3.419699 ETOT(band)= -1.556057 trlgG= -2.216298 logG= -0.650062 TDE= -4.393785 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038427 tlogG= -0.623177 logG= -0.661604 Density= 3.417054 ETOT(band)= -1.567490 trlgG= -2.237030 logG= -0.661604 TDE= -4.400789 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038909 tlogG= -0.610557 logG= -0.649466 Density= 3.420212 ETOT(band)= -1.554988 trlgG= -2.216303 logG= -0.649466 TDE= -4.394811 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038800 tlogG= -0.613519 logG= -0.652319 Density= 3.419606 ETOT(band)= -1.557861 trlgG= -2.220722 logG= -0.652319 TDE= -4.395875 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038351 tlogG= -0.625402 logG= -0.663753 Density= 3.416470 ETOT(band)= -1.569668 trlgG= -2.241786 logG= -0.663753 TDE= -4.402912 logGD-logG0= -0.038666 tlogG= -0.617207 logG= -0.655873 Density= 3.418691 ETOT(band)= -1.561433 trlgG= -2.226300 logG= -0.655873 TDE= -4.397142 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038522 tlogG= -0.619704 logG= -0.658226 Density= 3.417452 ETOT(band)= -1.564499 trlgG= -2.230882 logG= -0.658226 TDE= -4.398346 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038409 tlogG= -0.625272 logG= -0.663681 Density= 3.416893 ETOT(band)= -1.569164 trlgG= -2.241217 logG= -0.663681 TDE= -4.402765 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038669 tlogG= -0.617934 logG= -0.656602 Density= 3.419171 ETOT(band)= -1.561850 trlgG= -2.225773 logG= -0.656602 TDE= -4.396284 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038643 tlogG= -0.620547 logG= -0.659190 Density= 3.419143 ETOT(band)= -1.563952 trlgG= -2.229509 logG= -0.659190 TDE= -4.397409 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 Sum of eigenvalues= -1021.52994538916 eV TrLogG= -1457.62834156487 eV Ratio to renormalize= 0.999634552480 rho-rho_expected= 0.059955303716 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 47) Finished k-point number 48 1 with #bands= 104 37) Finished k-point number 38 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800559922266743 0.802689074035458 0.802476995942094 0.800128189756732 0.803223007255993 0.802438445852829 0.800854097962080 0.802553827101898 0.802580267479838 0.800764256385034 0.802754035019471 0.802484026803511 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038430 tlogG= -0.624897 logG= -0.663327 Density= 3.416645 ETOT(band)= -1.569060 trlgG= -2.241630 logG= -0.663327 TDE= -4.403327 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038640 tlogG= -0.614259 logG= -0.652899 Density= 3.418773 ETOT(band)= -1.559252 trlgG= -2.221093 logG= -0.652899 TDE= -4.394977 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038517 tlogG= -0.622743 logG= -0.661260 Density= 3.418103 ETOT(band)= -1.566428 trlgG= -2.234311 logG= -0.661260 TDE= -4.399281 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038502 tlogG= -0.622461 logG= -0.660963 Density= 3.417777 ETOT(band)= -1.566373 trlgG= -2.234803 logG= -0.660963 TDE= -4.399800 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038268 tlogG= -0.627708 logG= -0.665976 Density= 3.416146 ETOT(band)= -1.571639 trlgG= -2.244847 logG= -0.665976 TDE= -4.403482 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038457 tlogG= -0.626558 logG= -0.665015 Density= 3.416687 ETOT(band)= -1.570138 trlgG= -2.244928 logG= -0.665015 TDE= -4.404972 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.039031 tlogG= -0.609760 logG= -0.648790 Density= 3.420751 ETOT(band)= -1.553814 trlgG= -2.215383 logG= -0.648790 TDE= -4.395011 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038352 tlogG= -0.625397 logG= -0.663749 Density= 3.416472 ETOT(band)= -1.569664 trlgG= -2.241778 logG= -0.663749 TDE= -4.402910 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038377 tlogG= -0.623611 logG= -0.661988 Density= 3.417032 ETOT(band)= -1.567930 trlgG= -2.236976 logG= -0.661988 TDE= -4.400331 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038910 tlogG= -0.610552 logG= -0.649461 Density= 3.420214 ETOT(band)= -1.554984 trlgG= -2.216296 logG= -0.649461 TDE= -4.394809 logGD-logG0= -0.038418 tlogG= -0.620538 logG= -0.658956 Density= 3.417399 ETOT(band)= -1.565339 trlgG= -2.231275 logG= -0.658956 TDE= -4.397967 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038491 tlogG= -0.622136 logG= -0.660627 Density= 3.417489 ETOT(band)= -1.566245 trlgG= -2.235122 logG= -0.660627 TDE= -4.400217 logGD-logG0= -0.038559 tlogG= -0.619954 logG= -0.658513 Density= 3.418068 ETOT(band)= -1.564200 trlgG= -2.230417 logG= -0.658513 TDE= -4.398104 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038409 tlogG= -0.620508 logG= -0.658917 Density= 3.416889 ETOT(band)= -1.565761 trlgG= -2.231886 logG= -0.658917 TDE= -4.398195 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038362 tlogG= -0.625712 logG= -0.664075 Density= 3.416864 ETOT(band)= -1.569614 trlgG= -2.240662 logG= -0.664075 TDE= -4.401793 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038815 tlogG= -0.613056 logG= -0.651871 Density= 3.419333 ETOT(band)= -1.557670 trlgG= -2.220775 logG= -0.651871 TDE= -4.396151 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038460 tlogG= -0.618274 logG= -0.656733 Density= 3.417766 ETOT(band)= -1.563326 trlgG= -2.227180 logG= -0.656733 TDE= -4.396397 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038352 tlogG= -0.621007 logG= -0.659358 Density= 3.417202 ETOT(band)= -1.565988 trlgG= -2.232096 logG= -0.659358 TDE= -4.398222 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038594 tlogG= -0.616811 logG= -0.655405 Density= 3.418489 ETOT(band)= -1.561494 trlgG= -2.224969 logG= -0.655405 TDE= -4.396113 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038651 tlogG= -0.616300 logG= -0.654950 Density= 3.418591 ETOT(band)= -1.560914 trlgG= -2.225090 logG= -0.654950 TDE= -4.396773 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038411 tlogG= -0.622393 logG= -0.660803 Density= 3.416723 ETOT(band)= -1.567252 trlgG= -2.236284 logG= -0.660803 TDE= -4.400569 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038275 tlogG= -0.625858 logG= -0.664133 Density= 3.416315 ETOT(band)= -1.570211 trlgG= -2.241358 logG= -0.664133 TDE= -4.401976 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038480 tlogG= -0.622715 logG= -0.661195 Density= 3.417121 ETOT(band)= -1.566999 trlgG= -2.236939 logG= -0.661195 TDE= -4.401161 logGD-logG0= -0.038409 tlogG= -0.625267 logG= -0.663676 Density= 3.416895 ETOT(band)= -1.569161 trlgG= -2.241208 logG= -0.663676 TDE= -4.402763 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038522 tlogG= -0.619699 logG= -0.658222 Density= 3.417453 ETOT(band)= -1.564496 trlgG= -2.230873 logG= -0.658222 TDE= -4.398344 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038669 tlogG= -0.617928 logG= -0.656598 Density= 3.419173 ETOT(band)= -1.561847 trlgG= -2.225766 logG= -0.656598 TDE= -4.396282 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038788 tlogG= -0.611269 logG= -0.650057 Density= 3.419700 ETOT(band)= -1.556054 trlgG= -2.216290 logG= -0.650057 TDE= -4.393783 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038563 tlogG= -0.617489 logG= -0.656052 Density= 3.417773 ETOT(band)= -1.562572 trlgG= -2.227269 logG= -0.656052 TDE= -4.397174 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038356 tlogG= -0.622761 logG= -0.661117 Density= 3.416724 ETOT(band)= -1.567595 trlgG= -2.236185 logG= -0.661117 TDE= -4.400157 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038576 tlogG= -0.619539 logG= -0.658114 Density= 3.417958 ETOT(band)= -1.563860 trlgG= -2.230211 logG= -0.658114 TDE= -4.398207 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038801 tlogG= -0.613514 logG= -0.652315 Density= 3.419608 ETOT(band)= -1.557858 trlgG= -2.220714 logG= -0.652315 TDE= -4.395873 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=118 logGD-logG0= -0.038307 tlogG= -0.623083 logG= -0.661390 Density= 3.416736 ETOT(band)= -1.567879 trlgG= -2.236093 logG= -0.661390 TDE= -4.399803 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038872 tlogG= -0.612912 logG= -0.651785 Density= 3.419830 ETOT(band)= -1.557095 trlgG= -2.220284 logG= -0.651785 TDE= -4.396156 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038731 tlogG= -0.614099 logG= -0.652830 Density= 3.419407 ETOT(band)= -1.558588 trlgG= -2.220458 logG= -0.652830 TDE= -4.394935 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038712 tlogG= -0.615783 logG= -0.654495 Density= 3.418724 ETOT(band)= -1.560311 trlgG= -2.224790 logG= -0.654495 TDE= -4.397037 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=118 logGD-logG0= -0.038513 tlogG= -0.617895 logG= -0.656408 Density= 3.417768 ETOT(band)= -1.562965 trlgG= -2.227375 logG= -0.656408 TDE= -4.396919 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038428 tlogG= -0.623171 logG= -0.661599 Density= 3.417056 ETOT(band)= -1.567487 trlgG= -2.237022 logG= -0.661599 TDE= -4.400787 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038361 tlogG= -0.627152 logG= -0.665513 Density= 3.416399 ETOT(band)= -1.570921 trlgG= -2.245280 logG= -0.665513 TDE= -4.404588 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038529 tlogG= -0.620139 logG= -0.658668 Density= 3.417999 ETOT(band)= -1.564309 trlgG= -2.230122 logG= -0.658668 TDE= -4.397597 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038666 tlogG= -0.617574 logG= -0.656239 Density= 3.418921 ETOT(band)= -1.561657 trlgG= -2.226189 logG= -0.656239 TDE= -4.396855 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038462 tlogG= -0.624794 logG= -0.663256 Density= 3.416953 ETOT(band)= -1.568655 trlgG= -2.241170 logG= -0.663256 TDE= -4.403193 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038643 tlogG= -0.620542 logG= -0.659185 Density= 3.419145 ETOT(band)= -1.563949 trlgG= -2.229501 logG= -0.659185 TDE= -4.397407 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038582 tlogG= -0.620345 logG= -0.658927 Density= 3.418546 ETOT(band)= -1.564150 trlgG= -2.229812 logG= -0.658927 TDE= -4.397480 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038727 tlogG= -0.613672 logG= -0.652399 Density= 3.419054 ETOT(band)= -1.558477 trlgG= -2.221284 logG= -0.652399 TDE= -4.395902 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038377 tlogG= -0.620763 logG= -0.659140 Density= 3.417040 ETOT(band)= -1.565883 trlgG= -2.231915 logG= -0.659140 TDE= -4.398126 logGD-logG0= -0.038667 tlogG= -0.617202 logG= -0.655869 Density= 3.418693 ETOT(band)= -1.561429 trlgG= -2.226292 logG= -0.655869 TDE= -4.397141 logGD-logG0= -0.038541 tlogG= -0.620331 logG= -0.658871 Density= 3.418209 ETOT(band)= -1.564474 trlgG= -2.230294 logG= -0.658871 TDE= -4.397740 logGD-logG0= -0.038470 tlogG= -0.620139 logG= -0.658609 Density= 3.417419 ETOT(band)= -1.564946 trlgG= -2.231266 logG= -0.658609 TDE= -4.398320 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 Sum of eigenvalues= -1021.52777135879 eV TrLogG= -1457.62395129867 eV Ratio to renormalize= 0.999634101765 rho-rho_expected= 0.060029275087 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 4) Finished k-point number 5 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 25) Finished k-point number 26 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 39) Finished k-point number 40 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 18) Finished k-point number 19 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 43) Finished k-point number 44 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800561185258656 0.802689831348807 0.802477641980932 0.800129457758109 0.803223768174290 0.802439078747648 0.800855357025083 0.802554583099879 0.802580915269952 0.800765516947570 0.802754783074008 0.802484678380857 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038431 tlogG= -0.624897 logG= -0.663328 Density= 3.416646 ETOT(band)= -1.569063 trlgG= -2.241633 logG= -0.663328 TDE= -4.403330 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038460 tlogG= -0.618274 logG= -0.656734 Density= 3.417767 ETOT(band)= -1.563329 trlgG= -2.227183 logG= -0.656734 TDE= -4.396401 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038594 tlogG= -0.616812 logG= -0.655406 Density= 3.418490 ETOT(band)= -1.561496 trlgG= -2.224973 logG= -0.655406 TDE= -4.396117 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038640 tlogG= -0.614260 logG= -0.652900 Density= 3.418774 ETOT(band)= -1.559255 trlgG= -2.221096 logG= -0.652900 TDE= -4.394981 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038559 tlogG= -0.619955 logG= -0.658514 Density= 3.418069 ETOT(band)= -1.564202 trlgG= -2.230420 logG= -0.658514 TDE= -4.398107 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038541 tlogG= -0.620331 logG= -0.658872 Density= 3.418210 ETOT(band)= -1.564477 trlgG= -2.230297 logG= -0.658872 TDE= -4.397743 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038356 tlogG= -0.622762 logG= -0.661118 Density= 3.416725 ETOT(band)= -1.567598 trlgG= -2.236189 logG= -0.661118 TDE= -4.400161 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038480 tlogG= -0.622716 logG= -0.661196 Density= 3.417122 ETOT(band)= -1.567002 trlgG= -2.236943 logG= -0.661196 TDE= -4.401165 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038378 tlogG= -0.623611 logG= -0.661989 Density= 3.417033 ETOT(band)= -1.567933 trlgG= -2.236979 logG= -0.661989 TDE= -4.400335 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038523 tlogG= -0.619700 logG= -0.658222 Density= 3.417454 ETOT(band)= -1.564498 trlgG= -2.230877 logG= -0.658222 TDE= -4.398348 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038583 tlogG= -0.620346 logG= -0.658928 Density= 3.418547 ETOT(band)= -1.564152 trlgG= -2.229815 logG= -0.658928 TDE= -4.397484 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038502 tlogG= -0.622461 logG= -0.660964 Density= 3.417778 ETOT(band)= -1.566375 trlgG= -2.234807 logG= -0.660964 TDE= -4.399804 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039031 tlogG= -0.609760 logG= -0.648791 Density= 3.420752 ETOT(band)= -1.553816 trlgG= -2.215386 logG= -0.648791 TDE= -4.395015 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038352 tlogG= -0.621007 logG= -0.659359 Density= 3.417203 ETOT(band)= -1.565991 trlgG= -2.232099 logG= -0.659359 TDE= -4.398225 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038727 tlogG= -0.613673 logG= -0.652400 Density= 3.419055 ETOT(band)= -1.558480 trlgG= -2.221288 logG= -0.652400 TDE= -4.395905 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038576 tlogG= -0.619539 logG= -0.658115 Density= 3.417959 ETOT(band)= -1.563863 trlgG= -2.230215 logG= -0.658115 TDE= -4.398210 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038361 tlogG= -0.627153 logG= -0.665513 Density= 3.416400 ETOT(band)= -1.570924 trlgG= -2.245284 logG= -0.665513 TDE= -4.404592 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038517 tlogG= -0.622743 logG= -0.661261 Density= 3.418104 ETOT(band)= -1.566430 trlgG= -2.234315 logG= -0.661261 TDE= -4.399285 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038470 tlogG= -0.620140 logG= -0.658610 Density= 3.417420 ETOT(band)= -1.564949 trlgG= -2.231269 logG= -0.658610 TDE= -4.398324 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038269 tlogG= -0.627708 logG= -0.665977 Density= 3.416147 ETOT(band)= -1.571641 trlgG= -2.244851 logG= -0.665977 TDE= -4.403486 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038410 tlogG= -0.625267 logG= -0.663677 Density= 3.416896 ETOT(band)= -1.569163 trlgG= -2.241212 logG= -0.663677 TDE= -4.402766 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038910 tlogG= -0.610552 logG= -0.649462 Density= 3.420215 ETOT(band)= -1.554987 trlgG= -2.216299 logG= -0.649462 TDE= -4.394813 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038409 tlogG= -0.620509 logG= -0.658918 Density= 3.416890 ETOT(band)= -1.565764 trlgG= -2.231890 logG= -0.658918 TDE= -4.398198 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038458 tlogG= -0.626559 logG= -0.665016 Density= 3.416688 ETOT(band)= -1.570140 trlgG= -2.244932 logG= -0.665016 TDE= -4.404975 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038491 tlogG= -0.622137 logG= -0.660628 Density= 3.417490 ETOT(band)= -1.566248 trlgG= -2.235125 logG= -0.660628 TDE= -4.400220 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038411 tlogG= -0.622393 logG= -0.660804 Density= 3.416724 ETOT(band)= -1.567255 trlgG= -2.236287 logG= -0.660804 TDE= -4.400573 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038651 tlogG= -0.616300 logG= -0.654951 Density= 3.418592 ETOT(band)= -1.560917 trlgG= -2.225094 logG= -0.654951 TDE= -4.396777 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038418 tlogG= -0.620539 logG= -0.658957 Density= 3.417400 ETOT(band)= -1.565342 trlgG= -2.231279 logG= -0.658957 TDE= -4.397970 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038670 tlogG= -0.617929 logG= -0.656599 Density= 3.419174 ETOT(band)= -1.561850 trlgG= -2.225769 logG= -0.656599 TDE= -4.396286 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038377 tlogG= -0.620764 logG= -0.659140 Density= 3.417041 ETOT(band)= -1.565886 trlgG= -2.231919 logG= -0.659140 TDE= -4.398130 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038363 tlogG= -0.625713 logG= -0.664076 Density= 3.416865 ETOT(band)= -1.569617 trlgG= -2.240666 logG= -0.664076 TDE= -4.401797 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038462 tlogG= -0.624795 logG= -0.663257 Density= 3.416954 ETOT(band)= -1.568658 trlgG= -2.241174 logG= -0.663257 TDE= -4.403196 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038667 tlogG= -0.617202 logG= -0.655870 Density= 3.418694 ETOT(band)= -1.561432 trlgG= -2.226296 logG= -0.655870 TDE= -4.397144 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038563 tlogG= -0.617490 logG= -0.656053 Density= 3.417774 ETOT(band)= -1.562575 trlgG= -2.227273 logG= -0.656053 TDE= -4.397178 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038712 tlogG= -0.615784 logG= -0.654496 Density= 3.418725 ETOT(band)= -1.560314 trlgG= -2.224793 logG= -0.654496 TDE= -4.397041 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=118 logGD-logG0= -0.038308 tlogG= -0.623084 logG= -0.661391 Density= 3.416738 ETOT(band)= -1.567882 trlgG= -2.236097 logG= -0.661391 TDE= -4.399806 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038643 tlogG= -0.620542 logG= -0.659186 Density= 3.419146 ETOT(band)= -1.563952 trlgG= -2.229504 logG= -0.659186 TDE= -4.397410 logGD-logG0= -0.038352 tlogG= -0.625397 logG= -0.663749 Density= 3.416473 ETOT(band)= -1.569667 trlgG= -2.241781 logG= -0.663749 TDE= -4.402913 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038788 tlogG= -0.611270 logG= -0.650058 Density= 3.419701 ETOT(band)= -1.556057 trlgG= -2.216294 logG= -0.650058 TDE= -4.393787 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038428 tlogG= -0.623172 logG= -0.661600 Density= 3.417057 ETOT(band)= -1.567490 trlgG= -2.237026 logG= -0.661600 TDE= -4.400790 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038275 tlogG= -0.625859 logG= -0.664134 Density= 3.416316 ETOT(band)= -1.570213 trlgG= -2.241362 logG= -0.664134 TDE= -4.401979 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038873 tlogG= -0.612913 logG= -0.651786 Density= 3.419831 ETOT(band)= -1.557097 trlgG= -2.220287 logG= -0.651786 TDE= -4.396160 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038513 tlogG= -0.617896 logG= -0.656409 Density= 3.417769 ETOT(band)= -1.562968 trlgG= -2.227378 logG= -0.656409 TDE= -4.396922 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038731 tlogG= -0.614100 logG= -0.652831 Density= 3.419408 ETOT(band)= -1.558591 trlgG= -2.220461 logG= -0.652831 TDE= -4.394939 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038529 tlogG= -0.620140 logG= -0.658669 Density= 3.418001 ETOT(band)= -1.564312 trlgG= -2.230125 logG= -0.658669 TDE= -4.397601 logGD-logG0= -0.038666 tlogG= -0.617574 logG= -0.656240 Density= 3.418922 ETOT(band)= -1.561660 trlgG= -2.226193 logG= -0.656240 TDE= -4.396859 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038815 tlogG= -0.613057 logG= -0.651872 Density= 3.419335 ETOT(band)= -1.557673 trlgG= -2.220779 logG= -0.651872 TDE= -4.396155 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038801 tlogG= -0.613515 logG= -0.652315 Density= 3.419609 ETOT(band)= -1.557860 trlgG= -2.220718 logG= -0.652315 TDE= -4.395877 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=118 Sum of eigenvalues= -1021.52955107512 eV TrLogG= -1457.62689026789 eV Ratio to renormalize= 0.999633795798 rho-rho_expected= 0.060079490572 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 107 15) Finished k-point number 16 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 4) Finished k-point number 5 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800562225994046 0.802690319582114 0.802478188009239 0.800130505740235 0.803224288564655 0.802439584058391 0.800856400556197 0.802555072106977 0.802581458895761 0.800766559953798 0.802755248747121 0.802485247393238 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038727 tlogG= -0.613671 logG= -0.652398 Density= 3.419056 ETOT(band)= -1.558479 trlgG= -2.221286 logG= -0.652398 TDE= -4.395905 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038458 tlogG= -0.626557 logG= -0.665014 Density= 3.416689 ETOT(band)= -1.570140 trlgG= -2.244929 logG= -0.665014 TDE= -4.404975 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038541 tlogG= -0.620329 logG= -0.658870 Density= 3.418211 ETOT(band)= -1.564477 trlgG= -2.230295 logG= -0.658870 TDE= -4.397743 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038594 tlogG= -0.616810 logG= -0.655404 Density= 3.418490 ETOT(band)= -1.561496 trlgG= -2.224971 logG= -0.655404 TDE= -4.396117 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038410 tlogG= -0.625265 logG= -0.663675 Density= 3.416896 ETOT(band)= -1.569163 trlgG= -2.241210 logG= -0.663675 TDE= -4.402766 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038431 tlogG= -0.624895 logG= -0.663326 Density= 3.416647 ETOT(band)= -1.569063 trlgG= -2.241631 logG= -0.663326 TDE= -4.403330 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038352 tlogG= -0.621005 logG= -0.659357 Density= 3.417203 ETOT(band)= -1.565991 trlgG= -2.232097 logG= -0.659357 TDE= -4.398225 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038409 tlogG= -0.620507 logG= -0.658916 Density= 3.416890 ETOT(band)= -1.565763 trlgG= -2.231888 logG= -0.658916 TDE= -4.398198 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038640 tlogG= -0.614258 logG= -0.652898 Density= 3.418775 ETOT(band)= -1.559255 trlgG= -2.221094 logG= -0.652898 TDE= -4.394981 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038418 tlogG= -0.620537 logG= -0.658955 Density= 3.417400 ETOT(band)= -1.565341 trlgG= -2.231276 logG= -0.658955 TDE= -4.397970 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038363 tlogG= -0.625711 logG= -0.664074 Density= 3.416866 ETOT(band)= -1.569616 trlgG= -2.240663 logG= -0.664074 TDE= -4.401796 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038651 tlogG= -0.616298 logG= -0.654949 Density= 3.418592 ETOT(band)= -1.560916 trlgG= -2.225092 logG= -0.654949 TDE= -4.396777 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038523 tlogG= -0.619698 logG= -0.658220 Density= 3.417454 ETOT(band)= -1.564498 trlgG= -2.230875 logG= -0.658220 TDE= -4.398347 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038269 tlogG= -0.627706 logG= -0.665975 Density= 3.416147 ETOT(band)= -1.571641 trlgG= -2.244849 logG= -0.665975 TDE= -4.403486 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038378 tlogG= -0.623609 logG= -0.661987 Density= 3.417033 ETOT(band)= -1.567933 trlgG= -2.236977 logG= -0.661987 TDE= -4.400334 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038411 tlogG= -0.622391 logG= -0.660802 Density= 3.416724 ETOT(band)= -1.567254 trlgG= -2.236285 logG= -0.660802 TDE= -4.400572 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038361 tlogG= -0.627150 logG= -0.665511 Density= 3.416400 ETOT(band)= -1.570923 trlgG= -2.245281 logG= -0.665511 TDE= -4.404592 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038559 tlogG= -0.619953 logG= -0.658512 Density= 3.418069 ETOT(band)= -1.564202 trlgG= -2.230418 logG= -0.658512 TDE= -4.398107 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038460 tlogG= -0.618272 logG= -0.656732 Density= 3.417767 ETOT(band)= -1.563329 trlgG= -2.227181 logG= -0.656732 TDE= -4.396401 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038666 tlogG= -0.617572 logG= -0.656238 Density= 3.418922 ETOT(band)= -1.561659 trlgG= -2.226190 logG= -0.656238 TDE= -4.396859 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038518 tlogG= -0.622741 logG= -0.661259 Density= 3.418105 ETOT(band)= -1.566430 trlgG= -2.234312 logG= -0.661259 TDE= -4.399285 logGD-logG0= -0.038644 tlogG= -0.620540 logG= -0.659184 Density= 3.419146 ETOT(band)= -1.563952 trlgG= -2.229502 logG= -0.659184 TDE= -4.397410 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038576 tlogG= -0.619537 logG= -0.658113 Density= 3.417960 ETOT(band)= -1.563862 trlgG= -2.230212 logG= -0.658113 TDE= -4.398210 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038873 tlogG= -0.612911 logG= -0.651784 Density= 3.419832 ETOT(band)= -1.557097 trlgG= -2.220285 logG= -0.651784 TDE= -4.396160 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038529 tlogG= -0.620138 logG= -0.658667 Density= 3.418001 ETOT(band)= -1.564311 trlgG= -2.230123 logG= -0.658667 TDE= -4.397601 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038481 tlogG= -0.622713 logG= -0.661194 Density= 3.417122 ETOT(band)= -1.567001 trlgG= -2.236940 logG= -0.661194 TDE= -4.401165 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038502 tlogG= -0.622459 logG= -0.660962 Density= 3.417778 ETOT(band)= -1.566375 trlgG= -2.234804 logG= -0.660962 TDE= -4.399804 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038352 tlogG= -0.625395 logG= -0.663747 Density= 3.416473 ETOT(band)= -1.569667 trlgG= -2.241779 logG= -0.663747 TDE= -4.402913 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038308 tlogG= -0.623082 logG= -0.661389 Density= 3.416738 ETOT(band)= -1.567881 trlgG= -2.236094 logG= -0.661389 TDE= -4.399806 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038463 tlogG= -0.624793 logG= -0.663255 Density= 3.416955 ETOT(band)= -1.568658 trlgG= -2.241171 logG= -0.663255 TDE= -4.403196 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038275 tlogG= -0.625857 logG= -0.664132 Density= 3.416316 ETOT(band)= -1.570213 trlgG= -2.241359 logG= -0.664132 TDE= -4.401979 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038667 tlogG= -0.617200 logG= -0.655868 Density= 3.418694 ETOT(band)= -1.561431 trlgG= -2.226293 logG= -0.655868 TDE= -4.397144 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038471 tlogG= -0.620138 logG= -0.658608 Density= 3.417420 ETOT(band)= -1.564949 trlgG= -2.231267 logG= -0.658608 TDE= -4.398324 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038816 tlogG= -0.613055 logG= -0.651870 Density= 3.419335 ETOT(band)= -1.557672 trlgG= -2.220777 logG= -0.651870 TDE= -4.396155 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038563 tlogG= -0.617487 logG= -0.656051 Density= 3.417775 ETOT(band)= -1.562575 trlgG= -2.227270 logG= -0.656051 TDE= -4.397178 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038713 tlogG= -0.615782 logG= -0.654494 Density= 3.418725 ETOT(band)= -1.560314 trlgG= -2.224791 logG= -0.654494 TDE= -4.397041 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=118 logGD-logG0= -0.038583 tlogG= -0.620344 logG= -0.658926 Density= 3.418547 ETOT(band)= -1.564152 trlgG= -2.229813 logG= -0.658926 TDE= -4.397483 logGD-logG0= -0.038513 tlogG= -0.617894 logG= -0.656407 Density= 3.417769 ETOT(band)= -1.562967 trlgG= -2.227376 logG= -0.656407 TDE= -4.396922 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038491 tlogG= -0.622134 logG= -0.660626 Density= 3.417490 ETOT(band)= -1.566248 trlgG= -2.235123 logG= -0.660626 TDE= -4.400220 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038731 tlogG= -0.614098 logG= -0.652829 Density= 3.419408 ETOT(band)= -1.558591 trlgG= -2.220459 logG= -0.652829 TDE= -4.394939 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038910 tlogG= -0.610550 logG= -0.649460 Density= 3.420215 ETOT(band)= -1.554986 trlgG= -2.216297 logG= -0.649460 TDE= -4.394813 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039031 tlogG= -0.609758 logG= -0.648789 Density= 3.420752 ETOT(band)= -1.553816 trlgG= -2.215384 logG= -0.648789 TDE= -4.395015 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038670 tlogG= -0.617927 logG= -0.656597 Density= 3.419174 ETOT(band)= -1.561849 trlgG= -2.225767 logG= -0.656597 TDE= -4.396285 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038788 tlogG= -0.611268 logG= -0.650056 Density= 3.419702 ETOT(band)= -1.556056 trlgG= -2.216292 logG= -0.650056 TDE= -4.393787 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038356 tlogG= -0.622759 logG= -0.661116 Density= 3.416725 ETOT(band)= -1.567598 trlgG= -2.236186 logG= -0.661116 TDE= -4.400161 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038428 tlogG= -0.623170 logG= -0.661598 Density= 3.417057 ETOT(band)= -1.567489 trlgG= -2.237023 logG= -0.661598 TDE= -4.400790 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038377 tlogG= -0.620761 logG= -0.659138 Density= 3.417041 ETOT(band)= -1.565886 trlgG= -2.231916 logG= -0.659138 TDE= -4.398130 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038801 tlogG= -0.613512 logG= -0.652313 Density= 3.419609 ETOT(band)= -1.557860 trlgG= -2.220716 logG= -0.652313 TDE= -4.395877 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=118 Sum of eigenvalues= -1021.52930064792 eV TrLogG= -1457.62551671897 eV Ratio to renormalize= 0.999633698074 rho-rho_expected= 0.060095528989 nargs= 1 argi=dmft2.def 19) Finished k-point number 20 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 107 4) Finished k-point number 5 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 31) Finished k-point number 32 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 44) Finished k-point number 45 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800563561570495 0.802687790292559 0.802478982887115 0.800131903640966 0.803221599710379 0.802440517086990 0.800857747673818 0.802552549106346 0.802582223540028 0.800767974589431 0.802752888183261 0.802485844829333 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038560 tlogG= -0.619956 logG= -0.658516 Density= 3.418071 ETOT(band)= -1.564215 trlgG= -2.230435 logG= -0.658516 TDE= -4.398122 logGD-logG0= -0.038378 tlogG= -0.623612 logG= -0.661991 Density= 3.417035 ETOT(band)= -1.567946 trlgG= -2.236994 logG= -0.661991 TDE= -4.400349 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038428 tlogG= -0.623173 logG= -0.661601 Density= 3.417059 ETOT(band)= -1.567503 trlgG= -2.237040 logG= -0.661601 TDE= -4.400805 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038269 tlogG= -0.627710 logG= -0.665979 Density= 3.416149 ETOT(band)= -1.571654 trlgG= -2.244865 logG= -0.665979 TDE= -4.403501 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038363 tlogG= -0.625714 logG= -0.664077 Density= 3.416867 ETOT(band)= -1.569630 trlgG= -2.240680 logG= -0.664077 TDE= -4.401811 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038431 tlogG= -0.624898 logG= -0.663330 Density= 3.416649 ETOT(band)= -1.569076 trlgG= -2.241648 logG= -0.663330 TDE= -4.403345 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038651 tlogG= -0.616301 logG= -0.654953 Density= 3.418594 ETOT(band)= -1.560930 trlgG= -2.225108 logG= -0.654953 TDE= -4.396791 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038503 tlogG= -0.622463 logG= -0.660965 Density= 3.417780 ETOT(band)= -1.566388 trlgG= -2.234821 logG= -0.660965 TDE= -4.399819 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038461 tlogG= -0.618275 logG= -0.656736 Density= 3.417769 ETOT(band)= -1.563342 trlgG= -2.227198 logG= -0.656736 TDE= -4.396415 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038518 tlogG= -0.622744 logG= -0.661262 Density= 3.418106 ETOT(band)= -1.566443 trlgG= -2.234329 logG= -0.661262 TDE= -4.399299 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038732 tlogG= -0.614101 logG= -0.652833 Density= 3.419410 ETOT(band)= -1.558604 trlgG= -2.220476 logG= -0.652833 TDE= -4.394953 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038541 tlogG= -0.620332 logG= -0.658874 Density= 3.418212 ETOT(band)= -1.564490 trlgG= -2.230312 logG= -0.658874 TDE= -4.397758 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038418 tlogG= -0.620540 logG= -0.658958 Density= 3.417402 ETOT(band)= -1.565355 trlgG= -2.231293 logG= -0.658958 TDE= -4.397985 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038458 tlogG= -0.626560 logG= -0.665018 Density= 3.416690 ETOT(band)= -1.570153 trlgG= -2.244946 logG= -0.665018 TDE= -4.404990 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038410 tlogG= -0.620510 logG= -0.658920 Density= 3.416892 ETOT(band)= -1.565776 trlgG= -2.231904 logG= -0.658920 TDE= -4.398213 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038357 tlogG= -0.622763 logG= -0.661119 Density= 3.416727 ETOT(band)= -1.567611 trlgG= -2.236203 logG= -0.661119 TDE= -4.400175 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038594 tlogG= -0.616813 logG= -0.655407 Density= 3.418492 ETOT(band)= -1.561509 trlgG= -2.224987 logG= -0.655407 TDE= -4.396131 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038361 tlogG= -0.627154 logG= -0.665515 Density= 3.416402 ETOT(band)= -1.570937 trlgG= -2.245298 logG= -0.665515 TDE= -4.404606 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038873 tlogG= -0.612914 logG= -0.651787 Density= 3.419833 ETOT(band)= -1.557111 trlgG= -2.220302 logG= -0.651787 TDE= -4.396174 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038564 tlogG= -0.617491 logG= -0.656054 Density= 3.417776 ETOT(band)= -1.562588 trlgG= -2.227287 logG= -0.656054 TDE= -4.397193 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038276 tlogG= -0.625860 logG= -0.664136 Density= 3.416318 ETOT(band)= -1.570226 trlgG= -2.241376 logG= -0.664136 TDE= -4.401994 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038411 tlogG= -0.622394 logG= -0.660805 Density= 3.416726 ETOT(band)= -1.567268 trlgG= -2.236302 logG= -0.660805 TDE= -4.400587 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038801 tlogG= -0.613516 logG= -0.652317 Density= 3.419611 ETOT(band)= -1.557873 trlgG= -2.220732 logG= -0.652317 TDE= -4.395892 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=118 logGD-logG0= -0.038410 tlogG= -0.625268 logG= -0.663679 Density= 3.416898 ETOT(band)= -1.569176 trlgG= -2.241227 logG= -0.663679 TDE= -4.402781 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038576 tlogG= -0.619540 logG= -0.658117 Density= 3.417961 ETOT(band)= -1.563876 trlgG= -2.230229 logG= -0.658117 TDE= -4.398225 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038728 tlogG= -0.613674 logG= -0.652401 Density= 3.419057 ETOT(band)= -1.558493 trlgG= -2.221303 logG= -0.652401 TDE= -4.395920 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038641 tlogG= -0.614261 logG= -0.652902 Density= 3.418776 ETOT(band)= -1.559268 trlgG= -2.221111 logG= -0.652902 TDE= -4.394995 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038377 tlogG= -0.620765 logG= -0.659142 Density= 3.417043 ETOT(band)= -1.565899 trlgG= -2.231933 logG= -0.659142 TDE= -4.398144 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038514 tlogG= -0.617897 logG= -0.656411 Density= 3.417771 ETOT(band)= -1.562981 trlgG= -2.227393 logG= -0.656411 TDE= -4.396937 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038353 tlogG= -0.621008 logG= -0.659361 Density= 3.417205 ETOT(band)= -1.566004 trlgG= -2.232113 logG= -0.659361 TDE= -4.398240 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038789 tlogG= -0.611271 logG= -0.650060 Density= 3.419703 ETOT(band)= -1.556070 trlgG= -2.216308 logG= -0.650060 TDE= -4.393801 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038352 tlogG= -0.625398 logG= -0.663751 Density= 3.416475 ETOT(band)= -1.569680 trlgG= -2.241796 logG= -0.663751 TDE= -4.402928 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038492 tlogG= -0.622138 logG= -0.660629 Density= 3.417492 ETOT(band)= -1.566261 trlgG= -2.235140 logG= -0.660629 TDE= -4.400235 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038481 tlogG= -0.622717 logG= -0.661197 Density= 3.417124 ETOT(band)= -1.567015 trlgG= -2.236957 logG= -0.661197 TDE= -4.401180 logGD-logG0= -0.038713 tlogG= -0.615785 logG= -0.654498 Density= 3.418727 ETOT(band)= -1.560327 trlgG= -2.224808 logG= -0.654498 TDE= -4.397055 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038668 tlogG= -0.617204 logG= -0.655871 Density= 3.418696 ETOT(band)= -1.561445 trlgG= -2.226310 logG= -0.655871 TDE= -4.397159 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038666 tlogG= -0.617576 logG= -0.656242 Density= 3.418924 ETOT(band)= -1.561673 trlgG= -2.226207 logG= -0.656242 TDE= -4.396874 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038583 tlogG= -0.620347 logG= -0.658930 Density= 3.418549 ETOT(band)= -1.564165 trlgG= -2.229829 logG= -0.658930 TDE= -4.397498 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039031 tlogG= -0.609761 logG= -0.648793 Density= 3.420754 ETOT(band)= -1.553829 trlgG= -2.215401 logG= -0.648793 TDE= -4.395029 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038463 tlogG= -0.624796 logG= -0.663259 Density= 3.416957 ETOT(band)= -1.568671 trlgG= -2.241188 logG= -0.663259 TDE= -4.403211 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038910 tlogG= -0.610553 logG= -0.649464 Density= 3.420217 ETOT(band)= -1.555000 trlgG= -2.216314 logG= -0.649464 TDE= -4.394827 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038644 tlogG= -0.620543 logG= -0.659187 Density= 3.419148 ETOT(band)= -1.563965 trlgG= -2.229518 logG= -0.659187 TDE= -4.397424 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038471 tlogG= -0.620141 logG= -0.658612 Density= 3.417422 ETOT(band)= -1.564962 trlgG= -2.231284 logG= -0.658612 TDE= -4.398338 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038816 tlogG= -0.613058 logG= -0.651874 Density= 3.419336 ETOT(band)= -1.557686 trlgG= -2.220793 logG= -0.651874 TDE= -4.396169 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038530 tlogG= -0.620141 logG= -0.658671 Density= 3.418003 ETOT(band)= -1.564325 trlgG= -2.230139 logG= -0.658671 TDE= -4.397615 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038670 tlogG= -0.617930 logG= -0.656600 Density= 3.419176 ETOT(band)= -1.561863 trlgG= -2.225783 logG= -0.656600 TDE= -4.396300 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038523 tlogG= -0.619701 logG= -0.658224 logGD-logG0= -0.038308 tlogG= -0.623085 logG= -0.661393 Density= 3.416740 ETOT(band)= -1.567895 trlgG= -2.236111 logG= -0.661393 TDE= -4.399820 Density= 3.417456 ETOT(band)= -1.564511 trlgG= -2.230891 logG= -0.658224 TDE= -4.398362 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 Sum of eigenvalues= -1021.53804095929 eV TrLogG= -1457.63738788601 eV Ratio to renormalize= 0.999633196278 rho-rho_expected= 0.060177883852 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 31) Finished k-point number 32 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 15) Finished k-point number 16 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 24) Finished k-point number 25 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 45) Finished k-point number 46 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800551964331165 0.802681674061724 0.802470787080367 0.800120242198462 0.803215852165668 0.802432045206690 0.800846187610140 0.802546415012468 0.802574044991710 0.800756384916050 0.802746700580653 0.802477746639987 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038725 tlogG= -0.613678 logG= -0.652403 Density= 3.419049 ETOT(band)= -1.558480 trlgG= -2.221290 logG= -0.652403 TDE= -4.395899 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038267 tlogG= -0.627713 logG= -0.665980 Density= 3.416141 ETOT(band)= -1.571642 trlgG= -2.244854 logG= -0.665980 TDE= -4.403481 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038592 tlogG= -0.616817 logG= -0.655409 Density= 3.418484 ETOT(band)= -1.561497 trlgG= -2.224975 logG= -0.655409 TDE= -4.396111 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038376 tlogG= -0.623616 logG= -0.661992 Density= 3.417027 ETOT(band)= -1.567933 trlgG= -2.236983 logG= -0.661992 TDE= -4.400331 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038350 tlogG= -0.621012 logG= -0.659362 Density= 3.417197 ETOT(band)= -1.565991 trlgG= -2.232103 logG= -0.659362 TDE= -4.398222 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038574 tlogG= -0.619544 logG= -0.658118 Density= 3.417953 ETOT(band)= -1.563863 trlgG= -2.230218 logG= -0.658118 TDE= -4.398205 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038359 tlogG= -0.627158 logG= -0.665516 Density= 3.416394 ETOT(band)= -1.570924 trlgG= -2.245287 logG= -0.665516 TDE= -4.404587 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038581 tlogG= -0.620351 logG= -0.658931 Density= 3.418541 ETOT(band)= -1.564152 trlgG= -2.229819 logG= -0.658931 TDE= -4.397479 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038426 tlogG= -0.623177 logG= -0.661603 Density= 3.417051 ETOT(band)= -1.567490 trlgG= -2.237029 logG= -0.661603 TDE= -4.400786 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038557 tlogG= -0.619960 logG= -0.658517 Density= 3.418063 ETOT(band)= -1.564203 trlgG= -2.230423 logG= -0.658517 TDE= -4.398103 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038516 tlogG= -0.622748 logG= -0.661264 Density= 3.418099 ETOT(band)= -1.566430 trlgG= -2.234318 logG= -0.661264 TDE= -4.399281 logGD-logG0= -0.038638 tlogG= -0.614265 logG= -0.652903 Density= 3.418768 ETOT(band)= -1.559255 trlgG= -2.221099 logG= -0.652903 TDE= -4.394975 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038539 tlogG= -0.620336 logG= -0.658875 Density= 3.418204 ETOT(band)= -1.564477 trlgG= -2.230300 logG= -0.658875 TDE= -4.397739 logGD-logG0= -0.038361 tlogG= -0.625718 logG= -0.664078 Density= 3.416860 ETOT(band)= -1.569617 trlgG= -2.240669 logG= -0.664078 TDE= -4.401792 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038649 tlogG= -0.616305 logG= -0.654954 Density= 3.418586 ETOT(band)= -1.560917 trlgG= -2.225096 logG= -0.654954 TDE= -4.396771 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038561 tlogG= -0.617494 logG= -0.656056 Density= 3.417769 ETOT(band)= -1.562575 trlgG= -2.227275 logG= -0.656056 TDE= -4.397172 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038668 tlogG= -0.617934 logG= -0.656601 Density= 3.419168 ETOT(band)= -1.561850 trlgG= -2.225772 logG= -0.656601 TDE= -4.396281 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038350 tlogG= -0.625402 logG= -0.663753 Density= 3.416467 ETOT(band)= -1.569667 trlgG= -2.241784 logG= -0.663753 TDE= -4.402908 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038458 tlogG= -0.618279 logG= -0.656737 Density= 3.417761 ETOT(band)= -1.563329 trlgG= -2.227186 logG= -0.656737 TDE= -4.396396 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038729 tlogG= -0.614105 logG= -0.652834 Density= 3.419402 ETOT(band)= -1.558591 trlgG= -2.220463 logG= -0.652834 TDE= -4.394933 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038664 tlogG= -0.617579 logG= -0.656243 Density= 3.418916 ETOT(band)= -1.561660 trlgG= -2.226195 logG= -0.656243 TDE= -4.396854 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038409 tlogG= -0.622398 logG= -0.660807 Density= 3.416718 ETOT(band)= -1.567255 trlgG= -2.236290 logG= -0.660807 TDE= -4.400568 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038813 tlogG= -0.613062 logG= -0.651875 Density= 3.419328 ETOT(band)= -1.557673 trlgG= -2.220781 logG= -0.651875 TDE= -4.396149 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038456 tlogG= -0.626564 logG= -0.665019 Density= 3.416682 ETOT(band)= -1.570141 trlgG= -2.244935 logG= -0.665019 TDE= -4.404971 logGD-logG0= -0.038786 tlogG= -0.611275 logG= -0.650061 Density= 3.419695 ETOT(band)= -1.556057 trlgG= -2.216296 logG= -0.650061 TDE= -4.393781 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038429 tlogG= -0.624902 logG= -0.663331 Density= 3.416641 ETOT(band)= -1.569064 trlgG= -2.241636 logG= -0.663331 TDE= -4.403325 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038416 tlogG= -0.620544 logG= -0.658960 Density= 3.417394 ETOT(band)= -1.565342 trlgG= -2.231282 logG= -0.658960 TDE= -4.397966 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038478 tlogG= -0.622721 logG= -0.661199 Density= 3.417116 ETOT(band)= -1.567002 trlgG= -2.236946 logG= -0.661199 TDE= -4.401160 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038354 tlogG= -0.622766 logG= -0.661121 Density= 3.416719 ETOT(band)= -1.567598 trlgG= -2.236192 logG= -0.661121 TDE= -4.400156 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038500 tlogG= -0.622466 logG= -0.660966 Density= 3.417772 ETOT(band)= -1.566375 trlgG= -2.234810 logG= -0.660966 TDE= -4.399799 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038408 tlogG= -0.625272 logG= -0.663680 Density= 3.416890 ETOT(band)= -1.569164 trlgG= -2.241215 logG= -0.663680 TDE= -4.402762 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038665 tlogG= -0.617207 logG= -0.655872 Density= 3.418688 ETOT(band)= -1.561432 trlgG= -2.226298 logG= -0.655872 TDE= -4.397139 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038469 tlogG= -0.620145 logG= -0.658613 Density= 3.417414 ETOT(band)= -1.564949 trlgG= -2.231273 logG= -0.658613 TDE= -4.398319 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038871 tlogG= -0.612918 logG= -0.651789 Density= 3.419825 ETOT(band)= -1.557098 trlgG= -2.220289 logG= -0.651789 TDE= -4.396154 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038511 tlogG= -0.617901 logG= -0.656412 Density= 3.417763 ETOT(band)= -1.562968 trlgG= -2.227381 logG= -0.656412 TDE= -4.396917 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038407 tlogG= -0.620514 logG= -0.658921 Density= 3.416884 ETOT(band)= -1.565764 trlgG= -2.231894 logG= -0.658921 TDE= -4.398194 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038489 tlogG= -0.622141 logG= -0.660631 Density= 3.417484 ETOT(band)= -1.566248 trlgG= -2.235128 logG= -0.660631 TDE= -4.400215 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039029 tlogG= -0.609765 logG= -0.648794 Density= 3.420746 ETOT(band)= -1.553817 trlgG= -2.215388 logG= -0.648794 TDE= -4.395009 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038460 tlogG= -0.624800 logG= -0.663260 Density= 3.416949 ETOT(band)= -1.568658 trlgG= -2.241177 logG= -0.663260 TDE= -4.403192 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038521 tlogG= -0.619705 logG= -0.658225 Density= 3.417448 ETOT(band)= -1.564499 trlgG= -2.230880 logG= -0.658225 TDE= -4.398343 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038527 tlogG= -0.620145 logG= -0.658672 Density= 3.417995 ETOT(band)= -1.564312 trlgG= -2.230128 logG= -0.658672 TDE= -4.397596 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038375 tlogG= -0.620768 logG= -0.659143 Density= 3.417035 ETOT(band)= -1.565886 trlgG= -2.231922 logG= -0.659143 TDE= -4.398126 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038711 tlogG= -0.615789 logG= -0.654499 Density= 3.418719 ETOT(band)= -1.560315 trlgG= -2.224795 logG= -0.654499 TDE= -4.397035 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038908 tlogG= -0.610557 logG= -0.649465 Density= 3.420209 ETOT(band)= -1.554987 trlgG= -2.216301 logG= -0.649465 TDE= -4.394807 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038273 tlogG= -0.625864 logG= -0.664137 Density= 3.416310 ETOT(band)= -1.570214 trlgG= -2.241365 logG= -0.664137 TDE= -4.401975 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038306 tlogG= -0.623088 logG= -0.661394 Density= 3.416732 ETOT(band)= -1.567882 trlgG= -2.236101 logG= -0.661394 TDE= -4.399802 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038799 tlogG= -0.613520 logG= -0.652318 Density= 3.419603 ETOT(band)= -1.557861 trlgG= -2.220720 logG= -0.652318 TDE= -4.395871 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038642 tlogG= -0.620547 logG= -0.659189 Density= 3.419140 ETOT(band)= -1.563952 trlgG= -2.229508 logG= -0.659189 TDE= -4.397406 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 Sum of eigenvalues= -1021.52970795126 eV TrLogG= -1457.62562101702 eV Ratio to renormalize= 0.999635510112 rho-rho_expected= 0.059798137411 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 20) Finished k-point number 21 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 8) Finished k-point number 9 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 29) Finished k-point number 30 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800554042375754 0.802682516390314 0.802472429045102 0.800122332516138 0.803216571787778 0.802433798028758 0.800848254530209 0.802547262341767 0.802575687391757 0.800758456213554 0.802747584119184 0.802479343991522 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038429 tlogG= -0.624902 logG= -0.663331 Density= 3.416642 ETOT(band)= -1.569064 trlgG= -2.241636 logG= -0.663331 TDE= -4.403326 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038726 tlogG= -0.613677 logG= -0.652403 Density= 3.419051 ETOT(band)= -1.558480 trlgG= -2.221290 logG= -0.652403 TDE= -4.395900 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038350 tlogG= -0.621012 logG= -0.659362 Density= 3.417198 ETOT(band)= -1.565991 trlgG= -2.232103 logG= -0.659362 TDE= -4.398222 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038376 tlogG= -0.623616 logG= -0.661992 Density= 3.417028 ETOT(band)= -1.567933 trlgG= -2.236983 logG= -0.661992 TDE= -4.400331 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038592 tlogG= -0.616816 logG= -0.655409 Density= 3.418485 ETOT(band)= -1.561497 trlgG= -2.224975 logG= -0.655409 TDE= -4.396112 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038649 tlogG= -0.616305 logG= -0.654954 Density= 3.418587 ETOT(band)= -1.560917 trlgG= -2.225096 logG= -0.654954 TDE= -4.396772 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038639 tlogG= -0.614264 logG= -0.652903 Density= 3.418769 ETOT(band)= -1.559255 trlgG= -2.221099 logG= -0.652903 TDE= -4.394976 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038500 tlogG= -0.622466 logG= -0.660966 Density= 3.417773 ETOT(band)= -1.566375 trlgG= -2.234810 logG= -0.660966 TDE= -4.399800 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038479 tlogG= -0.622720 logG= -0.661199 Density= 3.417117 ETOT(band)= -1.567002 trlgG= -2.236946 logG= -0.661199 TDE= -4.401161 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038267 tlogG= -0.627713 logG= -0.665980 Density= 3.416142 ETOT(band)= -1.571642 trlgG= -2.244854 logG= -0.665980 TDE= -4.403482 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038355 tlogG= -0.622766 logG= -0.661121 Density= 3.416720 ETOT(band)= -1.567598 trlgG= -2.236192 logG= -0.661121 TDE= -4.400157 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038456 tlogG= -0.626563 logG= -0.665019 Density= 3.416683 ETOT(band)= -1.570141 trlgG= -2.244935 logG= -0.665019 TDE= -4.404971 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038516 tlogG= -0.622748 logG= -0.661263 Density= 3.418100 ETOT(band)= -1.566430 trlgG= -2.234318 logG= -0.661263 TDE= -4.399282 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038408 tlogG= -0.620513 logG= -0.658921 Density= 3.416885 ETOT(band)= -1.565764 trlgG= -2.231893 logG= -0.658921 TDE= -4.398195 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038521 tlogG= -0.619704 logG= -0.658225 Density= 3.417449 ETOT(band)= -1.564499 trlgG= -2.230880 logG= -0.658225 TDE= -4.398344 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038416 tlogG= -0.620543 logG= -0.658960 Density= 3.417395 ETOT(band)= -1.565342 trlgG= -2.231282 logG= -0.658960 TDE= -4.397967 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038409 tlogG= -0.622398 logG= -0.660807 Density= 3.416719 ETOT(band)= -1.567255 trlgG= -2.236290 logG= -0.660807 TDE= -4.400569 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038359 tlogG= -0.627157 logG= -0.665516 Density= 3.416395 ETOT(band)= -1.570924 trlgG= -2.245287 logG= -0.665516 TDE= -4.404588 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038558 tlogG= -0.619959 logG= -0.658517 Density= 3.418064 ETOT(band)= -1.564203 trlgG= -2.230423 logG= -0.658517 TDE= -4.398104 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038799 tlogG= -0.613519 logG= -0.652318 Density= 3.419604 ETOT(band)= -1.557861 trlgG= -2.220720 logG= -0.652318 TDE= -4.395872 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038539 tlogG= -0.620336 logG= -0.658875 Density= 3.418206 ETOT(band)= -1.564477 trlgG= -2.230300 logG= -0.658875 TDE= -4.397740 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038711 tlogG= -0.615788 logG= -0.654499 Density= 3.418720 ETOT(band)= -1.560315 trlgG= -2.224795 logG= -0.654499 TDE= -4.397036 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038665 tlogG= -0.617207 logG= -0.655872 Density= 3.418689 ETOT(band)= -1.561432 trlgG= -2.226298 logG= -0.655872 TDE= -4.397140 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038459 tlogG= -0.618279 logG= -0.656737 Density= 3.417762 ETOT(band)= -1.563329 trlgG= -2.227186 logG= -0.656737 TDE= -4.396397 logGD-logG0= -0.038562 tlogG= -0.617494 logG= -0.656056 Density= 3.417770 ETOT(band)= -1.562575 trlgG= -2.227275 logG= -0.656056 TDE= -4.397173 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038664 tlogG= -0.617579 logG= -0.656243 Density= 3.418917 ETOT(band)= -1.561660 trlgG= -2.226195 logG= -0.656243 TDE= -4.396855 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038730 tlogG= -0.614104 logG= -0.652834 Density= 3.419403 ETOT(band)= -1.558591 trlgG= -2.220463 logG= -0.652834 TDE= -4.394934 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039029 tlogG= -0.609765 logG= -0.648794 Density= 3.420747 ETOT(band)= -1.553817 trlgG= -2.215389 logG= -0.648794 TDE= -4.395010 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038306 tlogG= -0.623088 logG= -0.661394 Density= 3.416733 ETOT(band)= -1.567882 trlgG= -2.236101 logG= -0.661394 TDE= -4.399803 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038361 tlogG= -0.625717 logG= -0.664078 Density= 3.416861 ETOT(band)= -1.569617 trlgG= -2.240669 logG= -0.664078 TDE= -4.401793 logGD-logG0= -0.038642 tlogG= -0.620547 logG= -0.659189 Density= 3.419141 ETOT(band)= -1.563952 trlgG= -2.229508 logG= -0.659189 TDE= -4.397407 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038871 tlogG= -0.612918 logG= -0.651789 Density= 3.419826 ETOT(band)= -1.557098 trlgG= -2.220289 logG= -0.651789 TDE= -4.396155 logGD-logG0= -0.038668 tlogG= -0.617933 logG= -0.656601 Density= 3.419169 ETOT(band)= -1.561850 trlgG= -2.225772 logG= -0.656601 TDE= -4.396282 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038408 tlogG= -0.625272 logG= -0.663680 Density= 3.416891 ETOT(band)= -1.569164 trlgG= -2.241215 logG= -0.663680 TDE= -4.402763 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038461 tlogG= -0.624799 logG= -0.663260 Density= 3.416950 ETOT(band)= -1.568658 trlgG= -2.241177 logG= -0.663260 TDE= -4.403193 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038814 tlogG= -0.613061 logG= -0.651875 Density= 3.419330 ETOT(band)= -1.557673 trlgG= -2.220781 logG= -0.651875 TDE= -4.396150 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038375 tlogG= -0.620768 logG= -0.659143 Density= 3.417036 ETOT(band)= -1.565886 trlgG= -2.231922 logG= -0.659143 TDE= -4.398127 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038528 tlogG= -0.620144 logG= -0.658672 Density= 3.417996 ETOT(band)= -1.564312 trlgG= -2.230128 logG= -0.658672 TDE= -4.397597 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038350 tlogG= -0.625402 logG= -0.663752 Density= 3.416468 ETOT(band)= -1.569667 trlgG= -2.241784 logG= -0.663752 TDE= -4.402909 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038469 tlogG= -0.620144 logG= -0.658613 Density= 3.417415 ETOT(band)= -1.564949 trlgG= -2.231273 logG= -0.658613 TDE= -4.398320 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038426 tlogG= -0.623176 logG= -0.661603 Density= 3.417052 ETOT(band)= -1.567490 trlgG= -2.237029 logG= -0.661603 TDE= -4.400787 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038787 tlogG= -0.611275 logG= -0.650061 Density= 3.419696 ETOT(band)= -1.556057 trlgG= -2.216296 logG= -0.650061 TDE= -4.393782 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038274 tlogG= -0.625863 logG= -0.664137 Density= 3.416311 ETOT(band)= -1.570214 trlgG= -2.241365 logG= -0.664137 TDE= -4.401976 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038490 tlogG= -0.622141 logG= -0.660630 Density= 3.417485 ETOT(band)= -1.566248 trlgG= -2.235128 logG= -0.660630 TDE= -4.400216 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038512 tlogG= -0.617900 logG= -0.656412 Density= 3.417764 ETOT(band)= -1.562968 trlgG= -2.227381 logG= -0.656412 TDE= -4.396918 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038581 tlogG= -0.620350 logG= -0.658931 Density= 3.418542 ETOT(band)= -1.564152 trlgG= -2.229818 logG= -0.658931 TDE= -4.397480 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038908 tlogG= -0.610557 logG= -0.649465 Density= 3.420210 ETOT(band)= -1.554987 trlgG= -2.216301 logG= -0.649465 TDE= -4.394808 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038574 tlogG= -0.619544 logG= -0.658118 Density= 3.417955 ETOT(band)= -1.563863 trlgG= -2.230218 logG= -0.658118 TDE= -4.398206 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 Sum of eigenvalues= -1021.52970776279 eV TrLogG= -1457.62615342770 eV Ratio to renormalize= 0.999635178516 rho-rho_expected= 0.059852558877 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 15) Finished k-point number 16 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 47) Finished k-point number 48 1 with #bands= 104 18) Finished k-point number 19 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 45) Finished k-point number 46 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800560557473551 0.802686250552550 0.802479043732366 0.800128878012130 0.803220013486930 0.802440669236440 0.800854738557571 0.802551022095057 0.802582285409366 0.800764944279451 0.802751373129744 0.802485904387967 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038517 tlogG= -0.622742 logG= -0.661259 Density= 3.418103 ETOT(band)= -1.566432 trlgG= -2.234315 logG= -0.661259 TDE= -4.399285 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038268 tlogG= -0.627708 logG= -0.665976 Density= 3.416146 ETOT(band)= -1.571642 trlgG= -2.244851 logG= -0.665976 TDE= -4.403486 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038650 tlogG= -0.616299 logG= -0.654950 Density= 3.418590 ETOT(band)= -1.560918 trlgG= -2.225094 logG= -0.654950 TDE= -4.396776 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038430 tlogG= -0.624897 logG= -0.663327 Density= 3.416645 ETOT(band)= -1.569064 trlgG= -2.241633 logG= -0.663327 TDE= -4.403330 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038540 tlogG= -0.620330 logG= -0.658871 Density= 3.418209 ETOT(band)= -1.564479 trlgG= -2.230297 logG= -0.658871 TDE= -4.397744 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038815 tlogG= -0.613056 logG= -0.651871 Density= 3.419333 ETOT(band)= -1.557674 trlgG= -2.220779 logG= -0.651871 TDE= -4.396154 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038727 tlogG= -0.613672 logG= -0.652399 Density= 3.419054 ETOT(band)= -1.558481 trlgG= -2.221288 logG= -0.652399 TDE= -4.395905 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038417 tlogG= -0.620538 logG= -0.658955 Density= 3.417399 ETOT(band)= -1.565343 trlgG= -2.231279 logG= -0.658955 TDE= -4.397971 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038409 tlogG= -0.620508 logG= -0.658917 Density= 3.416888 ETOT(band)= -1.565765 trlgG= -2.231890 logG= -0.658917 TDE= -4.398198 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038470 tlogG= -0.620139 logG= -0.658609 Density= 3.417418 ETOT(band)= -1.564950 trlgG= -2.231270 logG= -0.658609 TDE= -4.398324 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038427 tlogG= -0.623171 logG= -0.661599 Density= 3.417055 ETOT(band)= -1.567491 trlgG= -2.237026 logG= -0.661599 TDE= -4.400790 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038559 tlogG= -0.619954 logG= -0.658513 Density= 3.418067 ETOT(band)= -1.564204 trlgG= -2.230420 logG= -0.658513 TDE= -4.398108 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038362 tlogG= -0.625712 logG= -0.664074 Density= 3.416864 ETOT(band)= -1.569618 trlgG= -2.240666 logG= -0.664074 TDE= -4.401797 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038410 tlogG= -0.622392 logG= -0.660803 Density= 3.416723 ETOT(band)= -1.567256 trlgG= -2.236287 logG= -0.660803 TDE= -4.400573 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038460 tlogG= -0.618273 logG= -0.656733 Density= 3.417766 ETOT(band)= -1.563330 trlgG= -2.227183 logG= -0.656733 TDE= -4.396401 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038376 tlogG= -0.620763 logG= -0.659139 Density= 3.417040 ETOT(band)= -1.565887 trlgG= -2.231919 logG= -0.659139 TDE= -4.398130 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038360 tlogG= -0.627152 logG= -0.665512 Density= 3.416399 ETOT(band)= -1.570925 trlgG= -2.245284 logG= -0.665512 TDE= -4.404592 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038502 tlogG= -0.622461 logG= -0.660962 Density= 3.417777 ETOT(band)= -1.566377 trlgG= -2.234807 logG= -0.660962 TDE= -4.399804 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038457 tlogG= -0.626558 logG= -0.665015 Density= 3.416687 ETOT(band)= -1.570142 trlgG= -2.244932 logG= -0.665015 TDE= -4.404975 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038352 tlogG= -0.621006 logG= -0.659358 Density= 3.417202 ETOT(band)= -1.565992 trlgG= -2.232100 logG= -0.659358 TDE= -4.398226 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038377 tlogG= -0.623611 logG= -0.661988 Density= 3.417031 ETOT(band)= -1.567934 trlgG= -2.236979 logG= -0.661988 TDE= -4.400335 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038275 tlogG= -0.625858 logG= -0.664133 Density= 3.416315 ETOT(band)= -1.570215 trlgG= -2.241362 logG= -0.664133 TDE= -4.401980 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038593 tlogG= -0.616811 logG= -0.655405 Density= 3.418488 ETOT(band)= -1.561498 trlgG= -2.224973 logG= -0.655405 TDE= -4.396116 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038640 tlogG= -0.614259 logG= -0.652899 Density= 3.418773 ETOT(band)= -1.559257 trlgG= -2.221096 logG= -0.652899 TDE= -4.394981 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038356 tlogG= -0.622761 logG= -0.661117 Density= 3.416723 ETOT(band)= -1.567599 trlgG= -2.236189 logG= -0.661117 TDE= -4.400161 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038582 tlogG= -0.620345 logG= -0.658927 Density= 3.418546 ETOT(band)= -1.564154 trlgG= -2.229815 logG= -0.658927 TDE= -4.397484 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038563 tlogG= -0.617489 logG= -0.656051 Density= 3.417773 ETOT(band)= -1.562576 trlgG= -2.227272 logG= -0.656051 TDE= -4.397178 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038667 tlogG= -0.617202 logG= -0.655868 Density= 3.418693 ETOT(band)= -1.561433 trlgG= -2.226295 logG= -0.655868 TDE= -4.397144 logGD-logG0= -0.038665 tlogG= -0.617574 logG= -0.656239 Density= 3.418921 ETOT(band)= -1.561661 trlgG= -2.226193 logG= -0.656239 TDE= -4.396859 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038491 tlogG= -0.622136 logG= -0.660626 Density= 3.417488 ETOT(band)= -1.566249 trlgG= -2.235125 logG= -0.660626 TDE= -4.400220 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038872 tlogG= -0.612912 logG= -0.651785 Density= 3.419830 ETOT(band)= -1.557099 trlgG= -2.220287 logG= -0.651785 TDE= -4.396159 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038669 tlogG= -0.617928 logG= -0.656597 Density= 3.419172 ETOT(band)= -1.561851 trlgG= -2.225769 logG= -0.656597 TDE= -4.396285 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038462 tlogG= -0.624794 logG= -0.663256 Density= 3.416953 ETOT(band)= -1.568659 trlgG= -2.241173 logG= -0.663256 TDE= -4.403197 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038480 tlogG= -0.622715 logG= -0.661195 Density= 3.417121 ETOT(band)= -1.567003 trlgG= -2.236942 logG= -0.661195 TDE= -4.401165 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038522 tlogG= -0.619699 logG= -0.658221 Density= 3.417453 ETOT(band)= -1.564500 trlgG= -2.230877 logG= -0.658221 TDE= -4.398348 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038575 tlogG= -0.619538 logG= -0.658114 Density= 3.417958 ETOT(band)= -1.563864 trlgG= -2.230215 logG= -0.658114 TDE= -4.398210 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038731 tlogG= -0.614099 logG= -0.652830 Density= 3.419406 ETOT(band)= -1.558592 trlgG= -2.220461 logG= -0.652830 TDE= -4.394938 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038409 tlogG= -0.625267 logG= -0.663676 Density= 3.416894 ETOT(band)= -1.569164 trlgG= -2.241212 logG= -0.663676 TDE= -4.402767 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038352 tlogG= -0.625397 logG= -0.663748 Density= 3.416471 ETOT(band)= -1.569668 trlgG= -2.241781 logG= -0.663748 TDE= -4.402913 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038643 tlogG= -0.620542 logG= -0.659185 Density= 3.419144 ETOT(band)= -1.563953 trlgG= -2.229505 logG= -0.659185 TDE= -4.397411 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039030 tlogG= -0.609760 logG= -0.648790 Density= 3.420750 ETOT(band)= -1.553818 trlgG= -2.215386 logG= -0.648790 TDE= -4.395015 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038513 tlogG= -0.617895 logG= -0.656408 Density= 3.417767 ETOT(band)= -1.562969 trlgG= -2.227378 logG= -0.656408 TDE= -4.396922 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038712 tlogG= -0.615783 logG= -0.654495 Density= 3.418724 ETOT(band)= -1.560316 trlgG= -2.224793 logG= -0.654495 TDE= -4.397040 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038909 tlogG= -0.610552 logG= -0.649461 Density= 3.420213 ETOT(band)= -1.554988 trlgG= -2.216299 logG= -0.649461 TDE= -4.394812 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038529 tlogG= -0.620139 logG= -0.658668 Density= 3.417999 ETOT(band)= -1.564313 trlgG= -2.230125 logG= -0.658668 TDE= -4.397601 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038307 tlogG= -0.623083 logG= -0.661390 Density= 3.416736 ETOT(band)= -1.567883 trlgG= -2.236097 logG= -0.661390 TDE= -4.399806 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038788 tlogG= -0.611269 logG= -0.650057 Density= 3.419700 ETOT(band)= -1.556058 trlgG= -2.216294 logG= -0.650057 TDE= -4.393786 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038800 tlogG= -0.613514 logG= -0.652314 Density= 3.419607 ETOT(band)= -1.557862 trlgG= -2.220718 logG= -0.652314 TDE= -4.395876 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=118 Sum of eigenvalues= -1021.53041666427 eV TrLogG= -1457.62610137148 eV Ratio to renormalize= 0.999634189533 rho-rho_expected= 0.060014870736 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 8) Finished k-point number 9 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 17) Finished k-point number 18 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 7) Finished k-point number 8 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800554386862944 0.802683518938201 0.802472244989737 0.800122673340478 0.803217973248952 0.802433207897936 0.800848607407161 0.802548255004614 0.802575496028759 0.800758786992031 0.802748407887765 0.802479349837785 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038456 tlogG= -0.626561 logG= -0.665017 Density= 3.416683 ETOT(band)= -1.570145 trlgG= -2.244937 logG= -0.665017 TDE= -4.404976 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038557 tlogG= -0.619957 logG= -0.658514 Density= 3.418064 ETOT(band)= -1.564207 trlgG= -2.230425 logG= -0.658514 TDE= -4.398108 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038408 tlogG= -0.620511 logG= -0.658919 Density= 3.416884 ETOT(band)= -1.565768 trlgG= -2.231895 logG= -0.658919 TDE= -4.398199 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038516 tlogG= -0.622745 logG= -0.661261 Density= 3.418099 ETOT(band)= -1.566435 trlgG= -2.234320 logG= -0.661261 TDE= -4.399286 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038416 tlogG= -0.620541 logG= -0.658957 Density= 3.417395 ETOT(band)= -1.565346 trlgG= -2.231284 logG= -0.658957 TDE= -4.397971 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038479 tlogG= -0.622718 logG= -0.661196 Density= 3.417117 ETOT(band)= -1.567007 trlgG= -2.236948 logG= -0.661196 TDE= -4.401165 logGD-logG0= -0.038376 tlogG= -0.623614 logG= -0.661989 Density= 3.417028 ETOT(band)= -1.567938 trlgG= -2.236985 logG= -0.661989 TDE= -4.400336 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038429 tlogG= -0.624900 logG= -0.663329 Density= 3.416641 ETOT(band)= -1.569068 trlgG= -2.241638 logG= -0.663329 TDE= -4.403331 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038592 tlogG= -0.616814 logG= -0.655406 Density= 3.418485 ETOT(band)= -1.561501 trlgG= -2.224978 logG= -0.655406 TDE= -4.396116 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038500 tlogG= -0.622464 logG= -0.660964 Density= 3.417773 ETOT(band)= -1.566380 trlgG= -2.234812 logG= -0.660964 TDE= -4.399804 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038409 tlogG= -0.622395 logG= -0.660804 Density= 3.416719 ETOT(band)= -1.567259 trlgG= -2.236292 logG= -0.660804 TDE= -4.400573 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038267 tlogG= -0.627711 logG= -0.665977 Density= 3.416142 ETOT(band)= -1.571646 trlgG= -2.244856 logG= -0.665977 TDE= -4.403486 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038908 tlogG= -0.610555 logG= -0.649463 Density= 3.420209 ETOT(band)= -1.554992 trlgG= -2.216303 logG= -0.649463 TDE= -4.394812 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038725 tlogG= -0.613675 logG= -0.652400 Density= 3.419050 ETOT(band)= -1.558485 trlgG= -2.221292 logG= -0.652400 TDE= -4.395904 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038664 tlogG= -0.617577 logG= -0.656241 Density= 3.418917 ETOT(band)= -1.561664 trlgG= -2.226197 logG= -0.656241 TDE= -4.396859 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038461 tlogG= -0.624797 logG= -0.663257 Density= 3.416949 ETOT(band)= -1.568663 trlgG= -2.241179 logG= -0.663257 TDE= -4.403197 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038408 tlogG= -0.625270 logG= -0.663677 Density= 3.416891 ETOT(band)= -1.569168 trlgG= -2.241217 logG= -0.663677 TDE= -4.402767 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038649 tlogG= -0.616302 logG= -0.654952 Density= 3.418587 ETOT(band)= -1.560922 trlgG= -2.225098 logG= -0.654952 TDE= -4.396776 logGD-logG0= -0.038581 tlogG= -0.620348 logG= -0.658929 Density= 3.418542 ETOT(band)= -1.564157 trlgG= -2.229820 logG= -0.658929 TDE= -4.397484 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038350 tlogG= -0.621009 logG= -0.659359 Density= 3.417198 ETOT(band)= -1.565996 trlgG= -2.232105 logG= -0.659359 TDE= -4.398227 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038355 tlogG= -0.622764 logG= -0.661118 Density= 3.416719 ETOT(band)= -1.567603 trlgG= -2.236194 logG= -0.661118 TDE= -4.400161 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038521 tlogG= -0.619702 logG= -0.658223 Density= 3.417449 ETOT(band)= -1.564503 trlgG= -2.230882 logG= -0.658223 TDE= -4.398348 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038539 tlogG= -0.620333 logG= -0.658872 Density= 3.418205 ETOT(band)= -1.564482 trlgG= -2.230302 logG= -0.658872 TDE= -4.397744 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038361 tlogG= -0.625715 logG= -0.664076 Density= 3.416860 ETOT(band)= -1.569621 trlgG= -2.240671 logG= -0.664076 TDE= -4.401797 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038273 tlogG= -0.625861 logG= -0.664134 Density= 3.416311 ETOT(band)= -1.570218 trlgG= -2.241367 logG= -0.664134 TDE= -4.401980 logGD-logG0= -0.038665 tlogG= -0.617205 logG= -0.655870 Density= 3.418689 ETOT(band)= -1.561437 trlgG= -2.226300 logG= -0.655870 TDE= -4.397144 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038668 tlogG= -0.617931 logG= -0.656599 Density= 3.419169 ETOT(band)= -1.561854 trlgG= -2.225774 logG= -0.656599 TDE= -4.396286 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038871 tlogG= -0.612915 logG= -0.651786 Density= 3.419826 ETOT(band)= -1.557102 trlgG= -2.220291 logG= -0.651786 TDE= -4.396159 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038638 tlogG= -0.614262 logG= -0.652900 Density= 3.418769 ETOT(band)= -1.559260 trlgG= -2.221101 logG= -0.652900 TDE= -4.394980 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038729 tlogG= -0.614102 logG= -0.652832 Density= 3.419403 ETOT(band)= -1.558596 trlgG= -2.220466 logG= -0.652832 TDE= -4.394938 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039029 tlogG= -0.609763 logG= -0.648792 Density= 3.420746 ETOT(band)= -1.553822 trlgG= -2.215391 logG= -0.648792 TDE= -4.395014 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038458 tlogG= -0.618276 logG= -0.656735 Density= 3.417762 ETOT(band)= -1.563334 trlgG= -2.227188 logG= -0.656735 TDE= -4.396401 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038711 tlogG= -0.615786 logG= -0.654497 Density= 3.418720 ETOT(band)= -1.560319 trlgG= -2.224797 logG= -0.654497 TDE= -4.397040 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038642 tlogG= -0.620544 logG= -0.659186 Density= 3.419141 ETOT(band)= -1.563956 trlgG= -2.229510 logG= -0.659186 TDE= -4.397412 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038306 tlogG= -0.623086 logG= -0.661392 Density= 3.416732 ETOT(band)= -1.567886 trlgG= -2.236103 logG= -0.661392 TDE= -4.399807 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038814 tlogG= -0.613059 logG= -0.651873 Density= 3.419329 ETOT(band)= -1.557678 trlgG= -2.220783 logG= -0.651873 TDE= -4.396154 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038786 tlogG= -0.611272 logG= -0.650059 Density= 3.419696 ETOT(band)= -1.556062 trlgG= -2.216298 logG= -0.650059 TDE= -4.393786 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038511 tlogG= -0.617898 logG= -0.656409 Density= 3.417763 ETOT(band)= -1.562972 trlgG= -2.227383 logG= -0.656409 TDE= -4.396922 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038527 tlogG= -0.620142 logG= -0.658670 Density= 3.417996 ETOT(band)= -1.564316 trlgG= -2.230130 logG= -0.658670 TDE= -4.397601 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038375 tlogG= -0.620766 logG= -0.659141 Density= 3.417036 ETOT(band)= -1.565891 trlgG= -2.231924 logG= -0.659141 TDE= -4.398131 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038574 tlogG= -0.619541 logG= -0.658116 Density= 3.417954 ETOT(band)= -1.563868 trlgG= -2.230220 logG= -0.658116 TDE= -4.398211 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038799 tlogG= -0.613517 logG= -0.652316 Density= 3.419603 ETOT(band)= -1.557865 trlgG= -2.220722 logG= -0.652316 TDE= -4.395876 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038469 tlogG= -0.620142 logG= -0.658611 Density= 3.417415 ETOT(band)= -1.564954 trlgG= -2.231275 logG= -0.658611 TDE= -4.398324 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038489 tlogG= -0.622139 logG= -0.660628 Density= 3.417485 ETOT(band)= -1.566253 trlgG= -2.235130 logG= -0.660628 TDE= -4.400221 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038350 tlogG= -0.625400 logG= -0.663750 Density= 3.416467 ETOT(band)= -1.569672 trlgG= -2.241786 logG= -0.663750 TDE= -4.402914 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038359 tlogG= -0.627155 logG= -0.665514 Density= 3.416395 ETOT(band)= -1.570928 trlgG= -2.245289 logG= -0.665514 TDE= -4.404592 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038561 tlogG= -0.617492 logG= -0.656053 Density= 3.417769 ETOT(band)= -1.562580 trlgG= -2.227277 logG= -0.656053 TDE= -4.397177 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038426 tlogG= -0.623174 logG= -0.661600 Density= 3.417052 ETOT(band)= -1.567494 trlgG= -2.237031 logG= -0.661600 TDE= -4.400791 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 Sum of eigenvalues= -1021.53266895469 eV TrLogG= -1457.62728053891 eV Ratio to renormalize= 0.999635313448 rho-rho_expected= 0.059830413924 nargs= 1 argi=dmft2.def 19) Finished k-point number 20 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 3) Finished k-point number 4 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 23) Finished k-point number 24 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 12) Finished k-point number 13 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 24) Finished k-point number 25 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800613513434845 0.802717111413455 0.802523738947910 0.800182201218801 0.803250901513134 0.802484884534652 0.800907642786829 0.802581717959078 0.802627054159622 0.800817978771922 0.802782763675978 0.802529765366692 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038551 tlogG= -0.620318 logG= -0.658869 Density= 3.418240 ETOT(band)= -1.564500 trlgG= -2.230315 logG= -0.658869 TDE= -4.397789 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038468 tlogG= -0.626544 logG= -0.665012 Density= 3.416720 ETOT(band)= -1.570161 trlgG= -2.244949 logG= -0.665012 TDE= -4.405023 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038421 tlogG= -0.622379 logG= -0.660801 Density= 3.416756 ETOT(band)= -1.567276 trlgG= -2.236306 logG= -0.660801 TDE= -4.400621 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038491 tlogG= -0.622701 logG= -0.661192 Density= 3.417154 ETOT(band)= -1.567023 trlgG= -2.236960 logG= -0.661192 TDE= -4.401213 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038362 tlogG= -0.620994 logG= -0.659357 Density= 3.417233 ETOT(band)= -1.566014 trlgG= -2.232113 logG= -0.659357 TDE= -4.398267 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038661 tlogG= -0.616287 logG= -0.654948 Density= 3.418623 ETOT(band)= -1.560939 trlgG= -2.225118 logG= -0.654948 TDE= -4.396829 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038373 tlogG= -0.625699 logG= -0.664072 Density= 3.416896 ETOT(band)= -1.569639 trlgG= -2.240682 logG= -0.664072 TDE= -4.401841 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038420 tlogG= -0.620495 logG= -0.658915 Density= 3.416921 ETOT(band)= -1.565785 trlgG= -2.231906 logG= -0.658915 TDE= -4.398243 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038570 tlogG= -0.619941 logG= -0.658511 Density= 3.418099 ETOT(band)= -1.564225 trlgG= -2.230439 logG= -0.658511 TDE= -4.398154 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038471 tlogG= -0.618261 logG= -0.656732 Density= 3.417798 ETOT(band)= -1.563352 trlgG= -2.227203 logG= -0.656732 TDE= -4.396448 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038388 tlogG= -0.623598 logG= -0.661986 Density= 3.417063 ETOT(band)= -1.567955 trlgG= -2.236995 logG= -0.661986 TDE= -4.400379 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038512 tlogG= -0.622448 logG= -0.660960 Density= 3.417808 ETOT(band)= -1.566398 trlgG= -2.234826 logG= -0.660960 TDE= -4.399851 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038528 tlogG= -0.622730 logG= -0.661258 Density= 3.418134 ETOT(band)= -1.566454 trlgG= -2.234331 logG= -0.661258 TDE= -4.399328 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=121 logGD-logG0= -0.038676 tlogG= -0.617561 logG= -0.656237 Density= 3.418952 ETOT(band)= -1.561683 trlgG= -2.226215 logG= -0.656237 TDE= -4.396910 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038428 tlogG= -0.620526 logG= -0.658954 Density= 3.417431 ETOT(band)= -1.565364 trlgG= -2.231295 logG= -0.658954 TDE= -4.398015 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038286 tlogG= -0.625845 logG= -0.664131 Density= 3.416347 ETOT(band)= -1.570235 trlgG= -2.241376 logG= -0.664131 TDE= -4.402023 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038604 tlogG= -0.616799 logG= -0.655403 Density= 3.418520 ETOT(band)= -1.561519 trlgG= -2.224994 logG= -0.655403 TDE= -4.396166 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038651 tlogG= -0.614246 logG= -0.652897 Density= 3.418805 ETOT(band)= -1.559278 trlgG= -2.221119 logG= -0.652897 TDE= -4.395032 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038593 tlogG= -0.620333 logG= -0.658925 Density= 3.418577 ETOT(band)= -1.564176 trlgG= -2.229833 logG= -0.658925 TDE= -4.397528 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038441 tlogG= -0.624883 logG= -0.663324 Density= 3.416678 ETOT(band)= -1.569084 trlgG= -2.241651 logG= -0.663324 TDE= -4.403378 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038501 tlogG= -0.622123 logG= -0.660624 Density= 3.417521 ETOT(band)= -1.566270 trlgG= -2.235144 logG= -0.660624 TDE= -4.400268 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038540 tlogG= -0.620127 logG= -0.658666 Density= 3.418031 ETOT(band)= -1.564334 trlgG= -2.230143 logG= -0.658666 TDE= -4.397647 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038798 tlogG= -0.611257 logG= -0.650055 Density= 3.419732 ETOT(band)= -1.556079 trlgG= -2.216318 logG= -0.650055 TDE= -4.393839 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038279 tlogG= -0.627694 logG= -0.665974 Density= 3.416178 ETOT(band)= -1.571662 trlgG= -2.244868 logG= -0.665974 TDE= -4.403533 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=126 logGD-logG0= -0.038367 tlogG= -0.622748 logG= -0.661115 Density= 3.416756 ETOT(band)= -1.567620 trlgG= -2.236207 logG= -0.661115 TDE= -4.400208 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038883 tlogG= -0.612899 logG= -0.651783 Density= 3.419863 ETOT(band)= -1.557119 trlgG= -2.220311 logG= -0.651783 TDE= -4.396213 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038363 tlogG= -0.625383 logG= -0.663746 Density= 3.416504 ETOT(band)= -1.569688 trlgG= -2.241799 logG= -0.663746 TDE= -4.402961 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038738 tlogG= -0.613659 logG= -0.652397 Density= 3.419087 ETOT(band)= -1.558502 trlgG= -2.221312 logG= -0.652397 TDE= -4.395958 logGD-logG0= -0.038371 tlogG= -0.627138 logG= -0.665510 Density= 3.416431 ETOT(band)= -1.570944 trlgG= -2.245301 logG= -0.665510 TDE= -4.404639 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038481 tlogG= -0.620126 logG= -0.658607 Density= 3.417451 ETOT(band)= -1.564971 trlgG= -2.231286 logG= -0.658607 TDE= -4.398369 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038723 tlogG= -0.615770 logG= -0.654493 Density= 3.418756 ETOT(band)= -1.560336 trlgG= -2.224817 logG= -0.654493 TDE= -4.397094 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=118 logGD-logG0= -0.038473 tlogG= -0.624780 logG= -0.663253 Density= 3.416986 ETOT(band)= -1.568679 trlgG= -2.241191 logG= -0.663253 TDE= -4.403244 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038920 tlogG= -0.610539 logG= -0.649459 Density= 3.420246 ETOT(band)= -1.555009 trlgG= -2.216324 logG= -0.649459 TDE= -4.394866 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038811 tlogG= -0.613501 logG= -0.652312 Density= 3.419639 ETOT(band)= -1.557883 trlgG= -2.220743 logG= -0.652312 TDE= -4.395930 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038677 tlogG= -0.617189 logG= -0.655866 Density= 3.418725 ETOT(band)= -1.561454 trlgG= -2.226318 logG= -0.655866 TDE= -4.397195 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038420 tlogG= -0.625254 logG= -0.663674 Density= 3.416927 ETOT(band)= -1.569185 trlgG= -2.241230 logG= -0.663674 TDE= -4.402814 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.039041 tlogG= -0.609746 logG= -0.648788 Density= 3.420783 ETOT(band)= -1.553838 trlgG= -2.215410 logG= -0.648788 TDE= -4.395068 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038586 tlogG= -0.619525 logG= -0.658112 Density= 3.417991 ETOT(band)= -1.563885 trlgG= -2.230234 logG= -0.658112 TDE= -4.398259 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038742 tlogG= -0.614087 logG= -0.652828 Density= 3.419438 ETOT(band)= -1.558614 trlgG= -2.220484 logG= -0.652828 TDE= -4.394990 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038533 tlogG= -0.619686 logG= -0.658219 Density= 3.417486 ETOT(band)= -1.564519 trlgG= -2.230894 logG= -0.658219 TDE= -4.398394 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038574 tlogG= -0.617476 logG= -0.656049 Density= 3.417806 ETOT(band)= -1.562596 trlgG= -2.227295 logG= -0.656049 TDE= -4.397229 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038680 tlogG= -0.617916 logG= -0.656596 Density= 3.419203 ETOT(band)= -1.561874 trlgG= -2.225790 logG= -0.656596 TDE= -4.396333 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038654 tlogG= -0.620530 logG= -0.659183 Density= 3.419174 ETOT(band)= -1.563976 trlgG= -2.229520 logG= -0.659183 TDE= -4.397452 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038438 tlogG= -0.623158 logG= -0.661596 Density= 3.417088 ETOT(band)= -1.567511 trlgG= -2.237043 logG= -0.661596 TDE= -4.400837 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038524 tlogG= -0.617883 logG= -0.656406 Density= 3.417800 ETOT(band)= -1.562990 trlgG= -2.227401 logG= -0.656406 TDE= -4.396973 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038826 tlogG= -0.613043 logG= -0.651869 Density= 3.419366 ETOT(band)= -1.557694 trlgG= -2.220803 logG= -0.651869 TDE= -4.396208 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038387 tlogG= -0.620750 logG= -0.659138 Density= 3.417072 ETOT(band)= -1.565908 trlgG= -2.231935 logG= -0.659138 TDE= -4.398174 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038318 tlogG= -0.623070 logG= -0.661388 Density= 3.416768 ETOT(band)= -1.567904 trlgG= -2.236110 logG= -0.661388 TDE= -4.399848 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 Sum of eigenvalues= -1021.54390722531 eV TrLogG= -1457.65615629728 eV Ratio to renormalize= 0.999624739587 rho-rho_expected= 0.061565810983 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 17) Finished k-point number 18 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 40) Finished k-point number 41 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 9) Finished k-point number 10 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 28) Finished k-point number 29 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 12) Finished k-point number 13 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800619292449122 0.802722865673932 0.802529425264780 0.800187995092364 0.803256646991683 0.802490507468887 0.800913414167862 0.802587454125189 0.802632713986619 0.800823743515570 0.802788450330352 0.802535495302918 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038801 tlogG= -0.627129 logG= -0.665930 Density= 3.416644 ETOT(band)= -1.570749 trlgG= -2.245556 logG= -0.665930 TDE= -4.404649 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038871 tlogG= -0.624874 logG= -0.663745 Density= 3.416891 ETOT(band)= -1.568888 trlgG= -2.241905 logG= -0.663745 TDE= -4.403388 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038792 tlogG= -0.620985 logG= -0.659778 Density= 3.417443 ETOT(band)= -1.565822 trlgG= -2.232370 logG= -0.659778 TDE= -4.398276 logGD-logG0= -0.038980 tlogG= -0.620309 logG= -0.659289 Density= 3.418447 ETOT(band)= -1.564310 trlgG= -2.230575 logG= -0.659289 TDE= -4.397799 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038850 tlogG= -0.620486 logG= -0.659336 Density= 3.417132 ETOT(band)= -1.565591 trlgG= -2.232162 logG= -0.659336 TDE= -4.398253 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038803 tlogG= -0.625690 logG= -0.664493 Density= 3.417107 ETOT(band)= -1.569445 trlgG= -2.240937 logG= -0.664493 TDE= -4.401851 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038709 tlogG= -0.627685 logG= -0.666394 Density= 3.416391 ETOT(band)= -1.571467 trlgG= -2.245123 logG= -0.666394 TDE= -4.403543 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038898 tlogG= -0.626535 logG= -0.665433 Density= 3.416933 ETOT(band)= -1.569964 trlgG= -2.245203 logG= -0.665433 TDE= -4.405033 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039470 tlogG= -0.609737 logG= -0.649207 Density= 3.420980 ETOT(band)= -1.553652 trlgG= -2.215678 logG= -0.649207 TDE= -4.395079 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039090 tlogG= -0.616278 logG= -0.655368 Density= 3.418827 ETOT(band)= -1.560749 trlgG= -2.225380 logG= -0.655368 TDE= -4.396840 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038953 tlogG= -0.617874 logG= -0.656827 Density= 3.418007 ETOT(band)= -1.562798 trlgG= -2.227661 logG= -0.656827 TDE= -4.396984 logGD-logG0= -0.039016 tlogG= -0.619516 logG= -0.658532 Density= 3.418199 ETOT(band)= -1.563691 trlgG= -2.230492 logG= -0.658532 TDE= -4.398269 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039167 tlogG= -0.613650 logG= -0.652817 Density= 3.419288 ETOT(band)= -1.558314 trlgG= -2.221577 logG= -0.652817 TDE= -4.395969 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038818 tlogG= -0.623589 logG= -0.662407 Density= 3.417274 ETOT(band)= -1.567762 trlgG= -2.237251 logG= -0.662407 TDE= -4.400388 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038999 tlogG= -0.619932 logG= -0.658931 Density= 3.418307 ETOT(band)= -1.564033 trlgG= -2.230698 logG= -0.658931 TDE= -4.398165 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038868 tlogG= -0.623149 logG= -0.662017 Density= 3.417299 ETOT(band)= -1.567317 trlgG= -2.237299 logG= -0.662017 TDE= -4.400847 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038851 tlogG= -0.622370 logG= -0.661221 Density= 3.416968 ETOT(band)= -1.567080 trlgG= -2.236561 logG= -0.661221 TDE= -4.400631 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038858 tlogG= -0.620516 logG= -0.659374 Density= 3.417639 ETOT(band)= -1.565172 trlgG= -2.231553 logG= -0.659374 TDE= -4.398025 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038957 tlogG= -0.622721 logG= -0.661678 Density= 3.418342 ETOT(band)= -1.566262 trlgG= -2.234589 logG= -0.661678 TDE= -4.399338 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=120 logGD-logG0= -0.039255 tlogG= -0.613034 logG= -0.652289 Density= 3.419569 ETOT(band)= -1.557504 trlgG= -2.221066 logG= -0.652289 TDE= -4.396219 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039080 tlogG= -0.614237 logG= -0.653317 Density= 3.419005 ETOT(band)= -1.559091 trlgG= -2.221384 logG= -0.653317 TDE= -4.395042 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039033 tlogG= -0.616790 logG= -0.655823 Density= 3.418723 ETOT(band)= -1.561331 trlgG= -2.225258 logG= -0.655823 TDE= -4.396177 logGD-logG0= -0.038748 tlogG= -0.623061 logG= -0.661809 Density= 3.416980 ETOT(band)= -1.567710 trlgG= -2.236365 logG= -0.661809 TDE= -4.399857 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039107 tlogG= -0.617180 logG= -0.656287 Density= 3.418932 ETOT(band)= -1.561262 trlgG= -2.226578 logG= -0.656287 TDE= -4.397206 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038920 tlogG= -0.622692 logG= -0.661613 Density= 3.417365 ETOT(band)= -1.566828 trlgG= -2.237216 logG= -0.661613 TDE= -4.401223 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039152 tlogG= -0.615761 logG= -0.654913 Density= 3.418962 ETOT(band)= -1.560144 trlgG= -2.225078 logG= -0.654913 TDE= -4.397104 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039227 tlogG= -0.611248 logG= -0.650474 Density= 3.419925 ETOT(band)= -1.555896 trlgG= -2.216589 logG= -0.650474 TDE= -4.393850 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038900 tlogG= -0.618252 logG= -0.657152 Density= 3.418004 ETOT(band)= -1.563161 trlgG= -2.227463 logG= -0.657152 TDE= -4.396459 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039240 tlogG= -0.613492 logG= -0.652732 Density= 3.419839 ETOT(band)= -1.557696 trlgG= -2.221009 logG= -0.652732 TDE= -4.395941 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038942 tlogG= -0.622439 logG= -0.661381 Density= 3.418018 ETOT(band)= -1.566205 trlgG= -2.235083 logG= -0.661381 TDE= -4.399862 logGD-logG0= -0.039170 tlogG= -0.614078 logG= -0.653248 Density= 3.419635 ETOT(band)= -1.558429 trlgG= -2.220752 logG= -0.653248 TDE= -4.395000 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038715 tlogG= -0.625836 logG= -0.664551 Density= 3.416560 ETOT(band)= -1.570040 trlgG= -2.241631 logG= -0.664551 TDE= -4.402033 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038969 tlogG= -0.620118 logG= -0.659087 Density= 3.418241 ETOT(band)= -1.564141 trlgG= -2.230400 logG= -0.659087 TDE= -4.397657 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038850 tlogG= -0.625244 logG= -0.664094 Density= 3.417139 ETOT(band)= -1.568990 trlgG= -2.241486 logG= -0.664094 TDE= -4.402824 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038902 tlogG= -0.624771 logG= -0.663674 Density= 3.417198 ETOT(band)= -1.568483 trlgG= -2.241446 logG= -0.663674 TDE= -4.403254 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039022 tlogG= -0.620324 logG= -0.659346 Density= 3.418784 ETOT(band)= -1.563984 trlgG= -2.230091 logG= -0.659346 TDE= -4.397538 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039349 tlogG= -0.610530 logG= -0.649878 Density= 3.420441 ETOT(band)= -1.554824 trlgG= -2.216593 logG= -0.649878 TDE= -4.394877 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038963 tlogG= -0.619677 logG= -0.658640 Density= 3.417696 ETOT(band)= -1.564326 trlgG= -2.231151 logG= -0.658640 TDE= -4.398404 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038797 tlogG= -0.622739 logG= -0.661536 Density= 3.416968 ETOT(band)= -1.567425 trlgG= -2.236462 logG= -0.661536 TDE= -4.400218 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039083 tlogG= -0.620521 logG= -0.659604 Density= 3.419380 ETOT(band)= -1.563786 trlgG= -2.229780 logG= -0.659604 TDE= -4.397461 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038931 tlogG= -0.622114 logG= -0.661045 Density= 3.417732 ETOT(band)= -1.566075 trlgG= -2.235400 logG= -0.661045 TDE= -4.400278 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039003 tlogG= -0.617467 logG= -0.656470 Density= 3.418014 ETOT(band)= -1.562404 trlgG= -2.227554 logG= -0.656470 TDE= -4.397240 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039109 tlogG= -0.617907 logG= -0.657016 Density= 3.419406 ETOT(band)= -1.561685 trlgG= -2.226053 logG= -0.657016 TDE= -4.396343 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038792 tlogG= -0.625374 logG= -0.664167 Density= 3.416717 ETOT(band)= -1.569493 trlgG= -2.242054 logG= -0.664167 TDE= -4.402971 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038817 tlogG= -0.620741 logG= -0.659558 Density= 3.417282 ETOT(band)= -1.565715 trlgG= -2.232192 logG= -0.659558 TDE= -4.398184 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038911 tlogG= -0.620117 logG= -0.659028 Density= 3.417660 ETOT(band)= -1.564778 trlgG= -2.231544 logG= -0.659028 TDE= -4.398379 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039312 tlogG= -0.612890 logG= -0.652202 Density= 3.420063 ETOT(band)= -1.556931 trlgG= -2.220576 logG= -0.652202 TDE= -4.396224 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.039105 tlogG= -0.617552 logG= -0.656658 Density= 3.419157 ETOT(band)= -1.561493 trlgG= -2.226477 logG= -0.656658 TDE= -4.396920 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1021.41867290024 eV TrLogG= -1457.93733365791 eV Ratio to renormalize= 0.999564150135 rho-rho_expected= 0.071510545649 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 4) Finished k-point number 5 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 29) Finished k-point number 30 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 46) Finished k-point number 47 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 45) Finished k-point number 46 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800598975514982 0.802707482019875 0.802510773972640 0.800167620294159 0.803241060331383 0.802472199619938 0.800893113871758 0.802572181192531 0.802614006469329 0.800803480354470 0.802772963642529 0.802517032618976 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038867 tlogG= -0.624883 logG= -0.663751 Density= 3.416880 ETOT(band)= -1.568886 trlgG= -2.241909 logG= -0.663751 TDE= -4.403376 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038896 tlogG= -0.618261 logG= -0.657157 Density= 3.417992 ETOT(band)= -1.563159 trlgG= -2.227465 logG= -0.657157 TDE= -4.396446 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038847 tlogG= -0.622379 logG= -0.661227 Density= 3.416956 ETOT(band)= -1.567078 trlgG= -2.236564 logG= -0.661227 TDE= -4.400619 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038894 tlogG= -0.626545 logG= -0.665438 Density= 3.416921 ETOT(band)= -1.569963 trlgG= -2.245207 logG= -0.665438 TDE= -4.405021 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038977 tlogG= -0.620318 logG= -0.659295 Density= 3.418435 ETOT(band)= -1.564307 trlgG= -2.230578 logG= -0.659295 TDE= -4.397788 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038953 tlogG= -0.622730 logG= -0.661683 Density= 3.418332 ETOT(band)= -1.566259 trlgG= -2.234592 logG= -0.661683 TDE= -4.399327 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038788 tlogG= -0.620994 logG= -0.659783 Density= 3.417432 ETOT(band)= -1.565819 trlgG= -2.232374 logG= -0.659783 TDE= -4.398266 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038705 tlogG= -0.627695 logG= -0.666399 Density= 3.416379 ETOT(band)= -1.571465 trlgG= -2.245126 logG= -0.666399 TDE= -4.403531 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.039029 tlogG= -0.616799 logG= -0.655828 Density= 3.418712 ETOT(band)= -1.561328 trlgG= -2.225259 logG= -0.655828 TDE= -4.396164 logGD-logG0= -0.038846 tlogG= -0.620495 logG= -0.659341 Density= 3.417121 ETOT(band)= -1.565589 trlgG= -2.232166 logG= -0.659341 TDE= -4.398242 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038995 tlogG= -0.619942 logG= -0.658937 Density= 3.418296 ETOT(band)= -1.564030 trlgG= -2.230700 logG= -0.658937 TDE= -4.398153 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038813 tlogG= -0.620750 logG= -0.659564 Density= 3.417271 ETOT(band)= -1.565713 trlgG= -2.232195 logG= -0.659564 TDE= -4.398173 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039163 tlogG= -0.613659 logG= -0.652822 Density= 3.419276 ETOT(band)= -1.558311 trlgG= -2.221577 logG= -0.652822 TDE= -4.395955 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038965 tlogG= -0.620127 logG= -0.659092 Density= 3.418230 ETOT(band)= -1.564138 trlgG= -2.230403 logG= -0.659092 TDE= -4.397645 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038799 tlogG= -0.625699 logG= -0.664498 Density= 3.417096 ETOT(band)= -1.569442 trlgG= -2.240941 logG= -0.664498 TDE= -4.401840 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039087 tlogG= -0.616287 logG= -0.655373 Density= 3.418815 ETOT(band)= -1.560747 trlgG= -2.225381 logG= -0.655373 TDE= -4.396826 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038814 tlogG= -0.623598 logG= -0.662412 Density= 3.417262 ETOT(band)= -1.567759 trlgG= -2.237255 logG= -0.662412 TDE= -4.400378 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039236 tlogG= -0.613501 logG= -0.652737 Density= 3.419827 ETOT(band)= -1.557693 trlgG= -2.221009 logG= -0.652737 TDE= -4.395926 logGD-logG0= -0.038999 tlogG= -0.617476 logG= -0.656475 Density= 3.418003 ETOT(band)= -1.562401 trlgG= -2.227555 logG= -0.656475 TDE= -4.397226 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039076 tlogG= -0.614246 logG= -0.653322 Density= 3.418993 ETOT(band)= -1.559089 trlgG= -2.221385 logG= -0.653322 TDE= -4.395029 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038854 tlogG= -0.620526 logG= -0.659380 Density= 3.417628 ETOT(band)= -1.565170 trlgG= -2.231557 logG= -0.659380 TDE= -4.398014 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038938 tlogG= -0.622448 logG= -0.661386 Density= 3.418007 ETOT(band)= -1.566202 trlgG= -2.235086 logG= -0.661386 TDE= -4.399850 logGD-logG0= -0.038788 tlogG= -0.625384 logG= -0.664172 Density= 3.416705 ETOT(band)= -1.569491 trlgG= -2.242057 logG= -0.664172 TDE= -4.402959 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039223 tlogG= -0.611257 logG= -0.650480 Density= 3.419913 ETOT(band)= -1.555894 trlgG= -2.216589 logG= -0.650480 TDE= -4.393836 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038927 tlogG= -0.622123 logG= -0.661050 Density= 3.417720 ETOT(band)= -1.566073 trlgG= -2.235403 logG= -0.661050 TDE= -4.400266 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039166 tlogG= -0.614087 logG= -0.653253 Density= 3.419624 ETOT(band)= -1.558426 trlgG= -2.220752 logG= -0.653253 TDE= -4.394987 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038711 tlogG= -0.625845 logG= -0.664557 Density= 3.416548 ETOT(band)= -1.570038 trlgG= -2.241635 logG= -0.664557 TDE= -4.402022 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039308 tlogG= -0.612900 logG= -0.652208 Density= 3.420052 ETOT(band)= -1.556928 trlgG= -2.220576 logG= -0.652208 TDE= -4.396209 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.039018 tlogG= -0.620333 logG= -0.659351 Density= 3.418774 ETOT(band)= -1.563981 trlgG= -2.230094 logG= -0.659351 TDE= -4.397527 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039103 tlogG= -0.617189 logG= -0.656292 Density= 3.418920 ETOT(band)= -1.561260 trlgG= -2.226579 logG= -0.656292 TDE= -4.397192 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038846 tlogG= -0.625254 logG= -0.664099 Density= 3.417127 ETOT(band)= -1.568988 trlgG= -2.241489 logG= -0.664099 TDE= -4.402812 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038907 tlogG= -0.620126 logG= -0.659033 Density= 3.417649 ETOT(band)= -1.564776 trlgG= -2.231547 logG= -0.659033 TDE= -4.398368 logGD-logG0= -0.038793 tlogG= -0.622748 logG= -0.661541 Density= 3.416956 ETOT(band)= -1.567423 trlgG= -2.236465 logG= -0.661541 TDE= -4.400206 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039012 tlogG= -0.619526 logG= -0.658537 Density= 3.418188 ETOT(band)= -1.563689 trlgG= -2.230494 logG= -0.658537 TDE= -4.398257 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039101 tlogG= -0.617561 logG= -0.656663 Density= 3.419145 ETOT(band)= -1.561490 trlgG= -2.226478 logG= -0.656663 TDE= -4.396907 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038899 tlogG= -0.624781 logG= -0.663679 Density= 3.417187 ETOT(band)= -1.568481 trlgG= -2.241450 logG= -0.663679 TDE= -4.403242 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038864 tlogG= -0.623158 logG= -0.662022 Density= 3.417287 ETOT(band)= -1.567315 trlgG= -2.237303 logG= -0.662022 TDE= -4.400835 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038744 tlogG= -0.623070 logG= -0.661815 Density= 3.416968 ETOT(band)= -1.567708 trlgG= -2.236370 logG= -0.661815 TDE= -4.399847 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039251 tlogG= -0.613043 logG= -0.652294 Density= 3.419557 ETOT(band)= -1.557502 trlgG= -2.221067 logG= -0.652294 TDE= -4.396204 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039105 tlogG= -0.617916 logG= -0.657021 Density= 3.419395 ETOT(band)= -1.561683 trlgG= -2.226054 logG= -0.657021 TDE= -4.396331 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038797 tlogG= -0.627139 logG= -0.665936 Density= 3.416632 ETOT(band)= -1.570747 trlgG= -2.245559 logG= -0.665936 TDE= -4.404637 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038959 tlogG= -0.619686 logG= -0.658645 Density= 3.417684 ETOT(band)= -1.564323 trlgG= -2.231154 logG= -0.658645 TDE= -4.398392 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039148 tlogG= -0.615770 logG= -0.654918 Density= 3.418950 ETOT(band)= -1.560142 trlgG= -2.225079 logG= -0.654918 TDE= -4.397090 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039466 tlogG= -0.609747 logG= -0.649212 Density= 3.420968 ETOT(band)= -1.553650 trlgG= -2.215678 logG= -0.649212 TDE= -4.395064 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038949 tlogG= -0.617883 logG= -0.656832 Density= 3.417995 ETOT(band)= -1.562796 trlgG= -2.227662 logG= -0.656832 TDE= -4.396970 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039345 tlogG= -0.610539 logG= -0.649883 Density= 3.420429 ETOT(band)= -1.554822 trlgG= -2.216593 logG= -0.649883 TDE= -4.394862 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039079 tlogG= -0.620529 logG= -0.659609 Density= 3.419370 ETOT(band)= -1.563783 trlgG= -2.229783 logG= -0.659609 TDE= -4.397452 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038917 tlogG= -0.622702 logG= -0.661618 Density= 3.417353 ETOT(band)= -1.566826 trlgG= -2.237219 logG= -0.661618 TDE= -4.401211 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 Sum of eigenvalues= -1021.41715986860 eV TrLogG= -1457.93272760063 eV Ratio to renormalize= 0.999567506357 rho-rho_expected= 0.070959647094 nargs= 1 argi=dmft2.def 1) Finished k-point number 2 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 34) Finished k-point number 35 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 5) Finished k-point number 6 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 20) Finished k-point number 21 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 24) Finished k-point number 25 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800598991391444 0.802707513740467 0.802510735635078 0.800167635782447 0.803241089376834 0.802472162690626 0.800893130850474 0.802572211936420 0.802613967263204 0.800803497343533 0.802772991546309 0.802516997831461 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038799 tlogG= -0.625699 logG= -0.664498 Density= 3.417096 ETOT(band)= -1.569443 trlgG= -2.240942 logG= -0.664498 TDE= -4.401841 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039030 tlogG= -0.616799 logG= -0.655828 Density= 3.418712 ETOT(band)= -1.561329 trlgG= -2.225259 logG= -0.655828 TDE= -4.396164 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038977 tlogG= -0.620318 logG= -0.659295 Density= 3.418436 ETOT(band)= -1.564307 trlgG= -2.230579 logG= -0.659295 TDE= -4.397789 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038814 tlogG= -0.623598 logG= -0.662412 Density= 3.417263 ETOT(band)= -1.567760 trlgG= -2.237256 logG= -0.662412 TDE= -4.400378 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039345 tlogG= -0.610539 logG= -0.649883 Density= 3.420429 ETOT(band)= -1.554823 trlgG= -2.216594 logG= -0.649883 TDE= -4.394863 logGD-logG0= -0.038995 tlogG= -0.619942 logG= -0.658937 Density= 3.418296 ETOT(band)= -1.564031 trlgG= -2.230701 logG= -0.658937 TDE= -4.398153 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039163 tlogG= -0.613659 logG= -0.652822 Density= 3.419276 ETOT(band)= -1.558312 trlgG= -2.221578 logG= -0.652822 TDE= -4.395955 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038896 tlogG= -0.618261 logG= -0.657157 Density= 3.417993 ETOT(band)= -1.563159 trlgG= -2.227466 logG= -0.657157 TDE= -4.396447 logGD-logG0= -0.038917 tlogG= -0.622702 logG= -0.661618 Density= 3.417354 ETOT(band)= -1.566826 trlgG= -2.237220 logG= -0.661618 TDE= -4.401211 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038705 tlogG= -0.627695 logG= -0.666400 Density= 3.416379 ETOT(band)= -1.571466 trlgG= -2.245127 logG= -0.666400 TDE= -4.403532 logGD-logG0= -0.039018 tlogG= -0.620333 logG= -0.659351 Density= 3.418774 ETOT(band)= -1.563981 trlgG= -2.230095 logG= -0.659351 TDE= -4.397528 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038938 tlogG= -0.622448 logG= -0.661386 Density= 3.418007 ETOT(band)= -1.566203 trlgG= -2.235086 logG= -0.661386 TDE= -4.399850 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038847 tlogG= -0.622379 logG= -0.661227 Density= 3.416956 ETOT(band)= -1.567079 trlgG= -2.236564 logG= -0.661227 TDE= -4.400619 logGD-logG0= -0.038854 tlogG= -0.620526 logG= -0.659380 Density= 3.417628 ETOT(band)= -1.565170 trlgG= -2.231557 logG= -0.659380 TDE= -4.398015 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038927 tlogG= -0.622123 logG= -0.661050 Density= 3.417720 ETOT(band)= -1.566074 trlgG= -2.235404 logG= -0.661050 TDE= -4.400267 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038788 tlogG= -0.625384 logG= -0.664172 Density= 3.416705 ETOT(band)= -1.569491 trlgG= -2.242058 logG= -0.664172 TDE= -4.402960 logGD-logG0= -0.038846 tlogG= -0.620495 logG= -0.659341 Density= 3.417121 ETOT(band)= -1.565589 trlgG= -2.232166 logG= -0.659341 TDE= -4.398242 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039101 tlogG= -0.617561 logG= -0.656663 Density= 3.419146 ETOT(band)= -1.561491 trlgG= -2.226479 logG= -0.656663 TDE= -4.396908 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038953 tlogG= -0.622730 logG= -0.661683 Density= 3.418332 ETOT(band)= -1.566259 trlgG= -2.234593 logG= -0.661683 TDE= -4.399328 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038711 tlogG= -0.625845 logG= -0.664557 Density= 3.416548 ETOT(band)= -1.570039 trlgG= -2.241636 logG= -0.664557 TDE= -4.402023 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038788 tlogG= -0.620994 logG= -0.659783 Density= 3.417432 ETOT(band)= -1.565819 trlgG= -2.232375 logG= -0.659783 TDE= -4.398267 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038846 tlogG= -0.625254 logG= -0.664099 Density= 3.417127 ETOT(band)= -1.568988 trlgG= -2.241489 logG= -0.664099 TDE= -4.402813 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038894 tlogG= -0.626544 logG= -0.665438 Density= 3.416921 ETOT(band)= -1.569963 trlgG= -2.245207 logG= -0.665438 TDE= -4.405022 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038907 tlogG= -0.620126 logG= -0.659033 Density= 3.417649 ETOT(band)= -1.564776 trlgG= -2.231548 logG= -0.659033 TDE= -4.398368 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039087 tlogG= -0.616287 logG= -0.655373 Density= 3.418815 ETOT(band)= -1.560747 trlgG= -2.225381 logG= -0.655373 TDE= -4.396826 logGD-logG0= -0.038999 tlogG= -0.617476 logG= -0.656475 Density= 3.418003 ETOT(band)= -1.562402 trlgG= -2.227556 logG= -0.656475 TDE= -4.397227 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039105 tlogG= -0.617916 logG= -0.657021 Density= 3.419395 ETOT(band)= -1.561683 trlgG= -2.226055 logG= -0.657021 TDE= -4.396332 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038867 tlogG= -0.624883 logG= -0.663751 Density= 3.416880 ETOT(band)= -1.568886 trlgG= -2.241909 logG= -0.663751 TDE= -4.403377 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039076 tlogG= -0.614246 logG= -0.653322 Density= 3.418993 ETOT(band)= -1.559089 trlgG= -2.221386 logG= -0.653322 TDE= -4.395029 logGD-logG0= -0.038813 tlogG= -0.620750 logG= -0.659564 Density= 3.417271 ETOT(band)= -1.565713 trlgG= -2.232196 logG= -0.659564 TDE= -4.398174 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038797 tlogG= -0.627139 logG= -0.665936 Density= 3.416632 ETOT(band)= -1.570747 trlgG= -2.245560 logG= -0.665936 TDE= -4.404638 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.039308 tlogG= -0.612900 logG= -0.652208 Density= 3.420052 ETOT(band)= -1.556929 trlgG= -2.220577 logG= -0.652208 TDE= -4.396210 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.039166 tlogG= -0.614087 logG= -0.653253 Density= 3.419624 ETOT(band)= -1.558427 trlgG= -2.220753 logG= -0.653253 TDE= -4.394987 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038959 tlogG= -0.619686 logG= -0.658645 Density= 3.417684 ETOT(band)= -1.564324 trlgG= -2.231155 logG= -0.658645 TDE= -4.398393 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038965 tlogG= -0.620127 logG= -0.659092 Density= 3.418230 ETOT(band)= -1.564139 trlgG= -2.230403 logG= -0.659092 TDE= -4.397646 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038899 tlogG= -0.624781 logG= -0.663679 Density= 3.417187 ETOT(band)= -1.568482 trlgG= -2.241450 logG= -0.663679 TDE= -4.403243 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039103 tlogG= -0.617189 logG= -0.656292 Density= 3.418920 ETOT(band)= -1.561260 trlgG= -2.226580 logG= -0.656292 TDE= -4.397193 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039079 tlogG= -0.620529 logG= -0.659609 Density= 3.419370 ETOT(band)= -1.563784 trlgG= -2.229784 logG= -0.659609 TDE= -4.397452 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038744 tlogG= -0.623070 logG= -0.661815 Density= 3.416968 ETOT(band)= -1.567708 trlgG= -2.236371 logG= -0.661815 TDE= -4.399848 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039012 tlogG= -0.619526 logG= -0.658537 Density= 3.418188 ETOT(band)= -1.563689 trlgG= -2.230495 logG= -0.658537 TDE= -4.398257 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038793 tlogG= -0.622748 logG= -0.661541 Density= 3.416956 ETOT(band)= -1.567424 trlgG= -2.236466 logG= -0.661541 TDE= -4.400207 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038864 tlogG= -0.623158 logG= -0.662022 Density= 3.417288 ETOT(band)= -1.567315 trlgG= -2.237303 logG= -0.662022 TDE= -4.400836 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039466 tlogG= -0.609747 logG= -0.649212 Density= 3.420968 ETOT(band)= -1.553650 trlgG= -2.215679 logG= -0.649212 TDE= -4.395065 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039148 tlogG= -0.615770 logG= -0.654918 Density= 3.418950 ETOT(band)= -1.560143 trlgG= -2.225079 logG= -0.654918 TDE= -4.397091 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038949 tlogG= -0.617883 logG= -0.656832 Density= 3.417996 ETOT(band)= -1.562796 trlgG= -2.227662 logG= -0.656832 TDE= -4.396971 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039223 tlogG= -0.611257 logG= -0.650480 Density= 3.419914 ETOT(band)= -1.555894 trlgG= -2.216589 logG= -0.650480 TDE= -4.393836 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039251 tlogG= -0.613043 logG= -0.652294 Density= 3.419557 ETOT(band)= -1.557503 trlgG= -2.221067 logG= -0.652294 TDE= -4.396205 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039236 tlogG= -0.613501 logG= -0.652737 Density= 3.419827 ETOT(band)= -1.557694 trlgG= -2.221009 logG= -0.652737 TDE= -4.395927 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 Sum of eigenvalues= -1021.41748401900 eV TrLogG= -1457.93313271862 eV Ratio to renormalize= 0.999567468538 rho-rho_expected= 0.070965854675 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 19) Finished k-point number 20 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 23) Finished k-point number 24 1 with #bands= 107 5) Finished k-point number 6 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 36) Finished k-point number 37 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 44) Finished k-point number 45 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800601104158739 0.802710313881036 0.802512581465078 0.800169742566428 0.803243886338110 0.802473989191329 0.800895218117655 0.802575027905623 0.802615815440099 0.800805586314810 0.802775766407906 0.802518859669013 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039076 tlogG= -0.614246 logG= -0.653322 Density= 3.418995 ETOT(band)= -1.559088 trlgG= -2.221384 logG= -0.653322 TDE= -4.395029 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039087 tlogG= -0.616286 logG= -0.655373 Density= 3.418817 ETOT(band)= -1.560746 trlgG= -2.225380 logG= -0.655373 TDE= -4.396827 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038868 tlogG= -0.624883 logG= -0.663750 Density= 3.416881 ETOT(band)= -1.568885 trlgG= -2.241908 logG= -0.663750 TDE= -4.403377 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038939 tlogG= -0.622447 logG= -0.661386 Density= 3.418008 ETOT(band)= -1.566201 trlgG= -2.235085 logG= -0.661386 TDE= -4.399850 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038996 tlogG= -0.619941 logG= -0.658936 Density= 3.418297 ETOT(band)= -1.564029 trlgG= -2.230699 logG= -0.658936 TDE= -4.398153 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038789 tlogG= -0.620993 logG= -0.659782 Density= 3.417433 ETOT(band)= -1.565818 trlgG= -2.232373 logG= -0.659782 TDE= -4.398266 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039466 tlogG= -0.609746 logG= -0.649212 Density= 3.420970 ETOT(band)= -1.553649 trlgG= -2.215678 logG= -0.649212 TDE= -4.395065 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039030 tlogG= -0.616798 logG= -0.655828 Density= 3.418713 ETOT(band)= -1.561327 trlgG= -2.225258 logG= -0.655828 TDE= -4.396164 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039103 tlogG= -0.617188 logG= -0.656292 Density= 3.418922 ETOT(band)= -1.561259 trlgG= -2.226578 logG= -0.656292 TDE= -4.397193 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038977 tlogG= -0.620317 logG= -0.659294 Density= 3.418437 ETOT(band)= -1.564306 trlgG= -2.230577 logG= -0.659294 TDE= -4.397788 logGD-logG0= -0.038705 tlogG= -0.627694 logG= -0.666399 Density= 3.416381 ETOT(band)= -1.571464 trlgG= -2.245125 logG= -0.666399 TDE= -4.403532 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038799 tlogG= -0.625698 logG= -0.664498 Density= 3.417098 ETOT(band)= -1.569442 trlgG= -2.240940 logG= -0.664498 TDE= -4.401840 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038899 tlogG= -0.624780 logG= -0.663679 Density= 3.417188 ETOT(band)= -1.568480 trlgG= -2.241449 logG= -0.663679 TDE= -4.403243 logGD-logG0= -0.038894 tlogG= -0.626544 logG= -0.665438 Density= 3.416923 ETOT(band)= -1.569962 trlgG= -2.245206 logG= -0.665438 TDE= -4.405022 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039163 tlogG= -0.613658 logG= -0.652822 Density= 3.419278 ETOT(band)= -1.558310 trlgG= -2.221577 logG= -0.652822 TDE= -4.395956 logGD-logG0= -0.038793 tlogG= -0.622747 logG= -0.661541 Density= 3.416958 ETOT(band)= -1.567422 trlgG= -2.236464 logG= -0.661541 TDE= -4.400206 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038814 tlogG= -0.623597 logG= -0.662412 Density= 3.417264 ETOT(band)= -1.567759 trlgG= -2.237254 logG= -0.662412 TDE= -4.400378 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038954 tlogG= -0.622729 logG= -0.661683 Density= 3.418333 ETOT(band)= -1.566258 trlgG= -2.234591 logG= -0.661683 TDE= -4.399328 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.039237 tlogG= -0.613500 logG= -0.652737 Density= 3.419829 ETOT(band)= -1.557693 trlgG= -2.221008 logG= -0.652737 TDE= -4.395928 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039106 tlogG= -0.617915 logG= -0.657021 Density= 3.419396 ETOT(band)= -1.561682 trlgG= -2.226053 logG= -0.657021 TDE= -4.396332 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038897 tlogG= -0.618260 logG= -0.657157 Density= 3.417994 ETOT(band)= -1.563158 trlgG= -2.227464 logG= -0.657157 TDE= -4.396447 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039019 tlogG= -0.620332 logG= -0.659351 Density= 3.418775 ETOT(band)= -1.563980 trlgG= -2.230093 logG= -0.659351 TDE= -4.397528 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039149 tlogG= -0.615769 logG= -0.654918 Density= 3.418952 ETOT(band)= -1.560141 trlgG= -2.225078 logG= -0.654918 TDE= -4.397091 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038846 tlogG= -0.620495 logG= -0.659341 Density= 3.417122 ETOT(band)= -1.565588 trlgG= -2.232164 logG= -0.659341 TDE= -4.398242 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038928 tlogG= -0.622122 logG= -0.661050 Density= 3.417722 ETOT(band)= -1.566072 trlgG= -2.235402 logG= -0.661050 TDE= -4.400267 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039345 tlogG= -0.610538 logG= -0.649883 Density= 3.420431 ETOT(band)= -1.554821 trlgG= -2.216592 logG= -0.649883 TDE= -4.394864 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038745 tlogG= -0.623070 logG= -0.661814 Density= 3.416970 ETOT(band)= -1.567707 trlgG= -2.236369 logG= -0.661814 TDE= -4.399847 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038865 tlogG= -0.623157 logG= -0.662022 Density= 3.417289 ETOT(band)= -1.567314 trlgG= -2.237301 logG= -0.662022 TDE= -4.400836 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038855 tlogG= -0.620525 logG= -0.659379 Density= 3.417629 ETOT(band)= -1.565169 trlgG= -2.231556 logG= -0.659379 TDE= -4.398014 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038848 tlogG= -0.622379 logG= -0.661226 Density= 3.416958 ETOT(band)= -1.567078 trlgG= -2.236563 logG= -0.661226 TDE= -4.400619 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039251 tlogG= -0.613042 logG= -0.652294 Density= 3.419558 ETOT(band)= -1.557501 trlgG= -2.221066 logG= -0.652294 TDE= -4.396205 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039309 tlogG= -0.612899 logG= -0.652207 Density= 3.420053 ETOT(band)= -1.556928 trlgG= -2.220575 logG= -0.652207 TDE= -4.396210 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038814 tlogG= -0.620749 logG= -0.659563 Density= 3.417273 ETOT(band)= -1.565712 trlgG= -2.232194 logG= -0.659563 TDE= -4.398174 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039223 tlogG= -0.611256 logG= -0.650479 Density= 3.419915 ETOT(band)= -1.555893 trlgG= -2.216588 logG= -0.650479 TDE= -4.393837 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038917 tlogG= -0.622701 logG= -0.661618 Density= 3.417355 ETOT(band)= -1.566825 trlgG= -2.237218 logG= -0.661618 TDE= -4.401211 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039102 tlogG= -0.617560 logG= -0.656662 Density= 3.419147 ETOT(band)= -1.561489 trlgG= -2.226477 logG= -0.656662 TDE= -4.396908 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038846 tlogG= -0.625253 logG= -0.664099 Density= 3.417129 ETOT(band)= -1.568987 trlgG= -2.241488 logG= -0.664099 TDE= -4.402813 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039012 tlogG= -0.619525 logG= -0.658537 Density= 3.418189 ETOT(band)= -1.563688 trlgG= -2.230493 logG= -0.658537 TDE= -4.398257 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039000 tlogG= -0.617475 logG= -0.656475 Density= 3.418004 ETOT(band)= -1.562401 trlgG= -2.227554 logG= -0.656475 TDE= -4.397227 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038950 tlogG= -0.617882 logG= -0.656832 Density= 3.417997 ETOT(band)= -1.562795 trlgG= -2.227661 logG= -0.656832 TDE= -4.396971 logGD-logG0= -0.038798 tlogG= -0.627138 logG= -0.665935 Density= 3.416634 ETOT(band)= -1.570746 trlgG= -2.245558 logG= -0.665935 TDE= -4.404638 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038959 tlogG= -0.619685 logG= -0.658645 Density= 3.417686 ETOT(band)= -1.564323 trlgG= -2.231153 logG= -0.658645 TDE= -4.398393 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038789 tlogG= -0.625383 logG= -0.664172 Density= 3.416707 ETOT(band)= -1.569490 trlgG= -2.242056 logG= -0.664172 TDE= -4.402960 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038712 tlogG= -0.625845 logG= -0.664557 Density= 3.416550 ETOT(band)= -1.570037 trlgG= -2.241634 logG= -0.664557 TDE= -4.402023 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039080 tlogG= -0.620529 logG= -0.659608 Density= 3.419371 ETOT(band)= -1.563782 trlgG= -2.229782 logG= -0.659608 TDE= -4.397452 logGD-logG0= -0.039167 tlogG= -0.614086 logG= -0.653253 Density= 3.419626 ETOT(band)= -1.558425 trlgG= -2.220752 logG= -0.653253 TDE= -4.394988 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038966 tlogG= -0.620126 logG= -0.659092 Density= 3.418231 ETOT(band)= -1.564137 trlgG= -2.230402 logG= -0.659092 TDE= -4.397646 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038907 tlogG= -0.620126 logG= -0.659033 Density= 3.417650 ETOT(band)= -1.564775 trlgG= -2.231546 logG= -0.659033 TDE= -4.398368 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1021.41662818995 eV TrLogG= -1457.93298526234 eV Ratio to renormalize= 0.999567031060 rho-rho_expected= 0.071037663305 nargs= 1 argi=dmft2.def 37) Finished k-point number 38 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 47) Finished k-point number 48 1 with #bands= 104 29) Finished k-point number 30 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 2) Finished k-point number 3 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 41) Finished k-point number 42 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800600790496487 0.802708736904403 0.802512822945305 0.800169447186018 0.803242364297433 0.802474182242919 0.800894904518178 0.802573450876347 0.802616053688638 0.800805296579291 0.802774281411716 0.802518999132732 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038894 tlogG= -0.626545 logG= -0.665439 Density= 3.416922 ETOT(band)= -1.569961 trlgG= -2.245206 logG= -0.665439 TDE= -4.405020 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039102 tlogG= -0.617562 logG= -0.656664 Density= 3.419147 ETOT(band)= -1.561489 trlgG= -2.226478 logG= -0.656664 TDE= -4.396906 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038867 tlogG= -0.624884 logG= -0.663751 Density= 3.416881 ETOT(band)= -1.568884 trlgG= -2.241908 logG= -0.663751 TDE= -4.403375 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039087 tlogG= -0.616287 logG= -0.655374 Density= 3.418816 ETOT(band)= -1.560745 trlgG= -2.225380 logG= -0.655374 TDE= -4.396825 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039030 tlogG= -0.616799 logG= -0.655829 Density= 3.418713 ETOT(band)= -1.561327 trlgG= -2.225258 logG= -0.655829 TDE= -4.396163 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038814 tlogG= -0.623598 logG= -0.662413 Density= 3.417264 ETOT(band)= -1.567758 trlgG= -2.237254 logG= -0.662413 TDE= -4.400377 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038897 tlogG= -0.618262 logG= -0.657158 Density= 3.417994 ETOT(band)= -1.563157 trlgG= -2.227465 logG= -0.657158 TDE= -4.396446 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038995 tlogG= -0.619942 logG= -0.658937 Density= 3.418297 ETOT(band)= -1.564029 trlgG= -2.230700 logG= -0.658937 TDE= -4.398152 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039080 tlogG= -0.620530 logG= -0.659609 Density= 3.419370 ETOT(band)= -1.563782 trlgG= -2.229783 logG= -0.659609 TDE= -4.397451 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038954 tlogG= -0.622730 logG= -0.661684 Density= 3.418333 ETOT(band)= -1.566257 trlgG= -2.234591 logG= -0.661684 TDE= -4.399327 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.039076 tlogG= -0.614247 logG= -0.653323 Density= 3.418994 ETOT(band)= -1.559087 trlgG= -2.221385 logG= -0.653323 TDE= -4.395028 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038938 tlogG= -0.622449 logG= -0.661387 Density= 3.418008 ETOT(band)= -1.566201 trlgG= -2.235085 logG= -0.661387 TDE= -4.399849 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038846 tlogG= -0.620496 logG= -0.659342 Density= 3.417122 ETOT(band)= -1.565587 trlgG= -2.232165 logG= -0.659342 TDE= -4.398241 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039163 tlogG= -0.613660 logG= -0.652823 Density= 3.419277 ETOT(band)= -1.558310 trlgG= -2.221577 logG= -0.652823 TDE= -4.395954 logGD-logG0= -0.038799 tlogG= -0.625700 logG= -0.664499 Density= 3.417097 ETOT(band)= -1.569441 trlgG= -2.240940 logG= -0.664499 TDE= -4.401839 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039149 tlogG= -0.615771 logG= -0.654919 Density= 3.418951 ETOT(band)= -1.560141 trlgG= -2.225078 logG= -0.654919 TDE= -4.397090 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038797 tlogG= -0.627139 logG= -0.665936 Density= 3.416634 ETOT(band)= -1.570745 trlgG= -2.245559 logG= -0.665936 TDE= -4.404637 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039103 tlogG= -0.617190 logG= -0.656293 Density= 3.418921 ETOT(band)= -1.561258 trlgG= -2.226579 logG= -0.656293 TDE= -4.397192 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038854 tlogG= -0.620526 logG= -0.659380 Density= 3.417629 ETOT(band)= -1.565168 trlgG= -2.231556 logG= -0.659380 TDE= -4.398013 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038846 tlogG= -0.625254 logG= -0.664100 Density= 3.417128 ETOT(band)= -1.568986 trlgG= -2.241488 logG= -0.664100 TDE= -4.402811 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038789 tlogG= -0.620995 logG= -0.659784 Density= 3.417433 ETOT(band)= -1.565817 trlgG= -2.232373 logG= -0.659784 TDE= -4.398265 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038848 tlogG= -0.622380 logG= -0.661228 Density= 3.416957 ETOT(band)= -1.567077 trlgG= -2.236563 logG= -0.661228 TDE= -4.400618 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039019 tlogG= -0.620333 logG= -0.659352 Density= 3.418775 ETOT(band)= -1.563980 trlgG= -2.230094 logG= -0.659352 TDE= -4.397526 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039345 tlogG= -0.610539 logG= -0.649884 Density= 3.420430 ETOT(band)= -1.554821 trlgG= -2.216593 logG= -0.649884 TDE= -4.394862 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039466 tlogG= -0.609747 logG= -0.649213 Density= 3.420969 ETOT(band)= -1.553648 trlgG= -2.215678 logG= -0.649213 TDE= -4.395064 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038712 tlogG= -0.625846 logG= -0.664558 Density= 3.416549 ETOT(band)= -1.570036 trlgG= -2.241634 logG= -0.664558 TDE= -4.402022 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039012 tlogG= -0.619526 logG= -0.658538 Density= 3.418189 ETOT(band)= -1.563687 trlgG= -2.230494 logG= -0.658538 TDE= -4.398256 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038814 tlogG= -0.620751 logG= -0.659565 Density= 3.417272 ETOT(band)= -1.565711 trlgG= -2.232195 logG= -0.659565 TDE= -4.398173 logGD-logG0= -0.038959 tlogG= -0.619687 logG= -0.658646 Density= 3.417685 ETOT(band)= -1.564322 trlgG= -2.231153 logG= -0.658646 TDE= -4.398392 logGD-logG0= -0.038793 tlogG= -0.622749 logG= -0.661542 Density= 3.416957 ETOT(band)= -1.567422 trlgG= -2.236465 logG= -0.661542 TDE= -4.400205 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039000 tlogG= -0.617477 logG= -0.656476 Density= 3.418004 ETOT(band)= -1.562400 trlgG= -2.227555 logG= -0.656476 TDE= -4.397226 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039251 tlogG= -0.613044 logG= -0.652295 Density= 3.419558 ETOT(band)= -1.557501 trlgG= -2.221066 logG= -0.652295 TDE= -4.396204 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038705 tlogG= -0.627695 logG= -0.666400 Density= 3.416381 ETOT(band)= -1.571464 trlgG= -2.245125 logG= -0.666400 TDE= -4.403530 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038917 tlogG= -0.622702 logG= -0.661619 Density= 3.417355 ETOT(band)= -1.566824 trlgG= -2.237219 logG= -0.661619 TDE= -4.401210 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039223 tlogG= -0.611257 logG= -0.650481 Density= 3.419915 ETOT(band)= -1.555892 trlgG= -2.216589 logG= -0.650481 TDE= -4.393835 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038789 tlogG= -0.625384 logG= -0.664173 Density= 3.416706 ETOT(band)= -1.569489 trlgG= -2.242056 logG= -0.664173 TDE= -4.402958 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038928 tlogG= -0.622123 logG= -0.661051 Density= 3.417721 ETOT(band)= -1.566072 trlgG= -2.235402 logG= -0.661051 TDE= -4.400266 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039309 tlogG= -0.612900 logG= -0.652209 Density= 3.420053 ETOT(band)= -1.556927 trlgG= -2.220576 logG= -0.652209 TDE= -4.396209 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038977 tlogG= -0.620318 logG= -0.659295 Density= 3.418436 ETOT(band)= -1.564305 trlgG= -2.230577 logG= -0.659295 TDE= -4.397787 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038907 tlogG= -0.620127 logG= -0.659034 Density= 3.417650 ETOT(band)= -1.564774 trlgG= -2.231546 logG= -0.659034 TDE= -4.398367 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039106 tlogG= -0.617916 logG= -0.657022 Density= 3.419396 ETOT(band)= -1.561681 trlgG= -2.226054 logG= -0.657022 TDE= -4.396330 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038745 tlogG= -0.623071 logG= -0.661815 Density= 3.416969 ETOT(band)= -1.567706 trlgG= -2.236369 logG= -0.661815 TDE= -4.399846 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038899 tlogG= -0.624781 logG= -0.663680 Density= 3.417188 ETOT(band)= -1.568480 trlgG= -2.241449 logG= -0.663680 TDE= -4.403242 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039167 tlogG= -0.614087 logG= -0.653254 Density= 3.419625 ETOT(band)= -1.558425 trlgG= -2.220752 logG= -0.653254 TDE= -4.394986 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038950 tlogG= -0.617883 logG= -0.656833 Density= 3.417997 ETOT(band)= -1.562794 trlgG= -2.227661 logG= -0.656833 TDE= -4.396970 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038864 tlogG= -0.623159 logG= -0.662023 Density= 3.417289 ETOT(band)= -1.567313 trlgG= -2.237302 logG= -0.662023 TDE= -4.400835 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038966 tlogG= -0.620127 logG= -0.659093 Density= 3.418231 ETOT(band)= -1.564137 trlgG= -2.230402 logG= -0.659093 TDE= -4.397645 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039236 tlogG= -0.613502 logG= -0.652738 Density= 3.419828 ETOT(band)= -1.557692 trlgG= -2.221008 logG= -0.652738 TDE= -4.395926 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 Sum of eigenvalues= -1021.41615147785 eV TrLogG= -1457.93291174708 eV Ratio to renormalize= 0.999567183218 rho-rho_expected= 0.071012687744 nargs= 1 argi=dmft2.def 15) Finished k-point number 16 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 27) Finished k-point number 28 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 36) Finished k-point number 37 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 43) Finished k-point number 44 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 25) Finished k-point number 26 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800600133163841 0.802708002056742 0.802512412539796 0.800168790732218 0.803241654294205 0.802473749979358 0.800894242385763 0.802572712075664 0.802615644380292 0.800804645837643 0.802773588710513 0.802518539011037 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038705 tlogG= -0.627697 logG= -0.666402 Density= 3.416380 ETOT(band)= -1.571463 trlgG= -2.245127 logG= -0.666402 TDE= -4.403530 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038789 tlogG= -0.620997 logG= -0.659786 Density= 3.417433 ETOT(band)= -1.565817 trlgG= -2.232375 logG= -0.659786 TDE= -4.398265 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039223 tlogG= -0.611259 logG= -0.650483 Density= 3.419914 ETOT(band)= -1.555892 trlgG= -2.216590 logG= -0.650483 TDE= -4.393835 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038848 tlogG= -0.622382 logG= -0.661230 Density= 3.416957 ETOT(band)= -1.567077 trlgG= -2.236565 logG= -0.661230 TDE= -4.400618 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038789 tlogG= -0.625386 logG= -0.664175 Density= 3.416706 ETOT(band)= -1.569489 trlgG= -2.242058 logG= -0.664175 TDE= -4.402958 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038854 tlogG= -0.620528 logG= -0.659382 Density= 3.417629 ETOT(band)= -1.565168 trlgG= -2.231558 logG= -0.659382 TDE= -4.398013 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038799 tlogG= -0.625702 logG= -0.664501 Density= 3.417097 ETOT(band)= -1.569440 trlgG= -2.240942 logG= -0.664501 TDE= -4.401839 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039251 tlogG= -0.613046 logG= -0.652297 Density= 3.419558 ETOT(band)= -1.557501 trlgG= -2.221068 logG= -0.652297 TDE= -4.396203 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038894 tlogG= -0.626547 logG= -0.665441 Density= 3.416922 ETOT(band)= -1.569961 trlgG= -2.245208 logG= -0.665441 TDE= -4.405020 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038814 tlogG= -0.620753 logG= -0.659566 Density= 3.417272 ETOT(band)= -1.565711 trlgG= -2.232196 logG= -0.659566 TDE= -4.398172 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038897 tlogG= -0.618264 logG= -0.657160 Density= 3.417993 ETOT(band)= -1.563157 trlgG= -2.227466 logG= -0.657160 TDE= -4.396445 logGD-logG0= -0.038954 tlogG= -0.622732 logG= -0.661686 Density= 3.418332 ETOT(band)= -1.566257 trlgG= -2.234593 logG= -0.661686 TDE= -4.399326 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038995 tlogG= -0.619944 logG= -0.658939 Density= 3.418297 ETOT(band)= -1.564028 trlgG= -2.230701 logG= -0.658939 TDE= -4.398152 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038814 tlogG= -0.623600 logG= -0.662415 Density= 3.417263 ETOT(band)= -1.567758 trlgG= -2.237256 logG= -0.662415 TDE= -4.400377 logGD-logG0= -0.038966 tlogG= -0.620129 logG= -0.659095 Density= 3.418231 ETOT(band)= -1.564136 trlgG= -2.230404 logG= -0.659095 TDE= -4.397644 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038950 tlogG= -0.617885 logG= -0.656835 Density= 3.417996 ETOT(band)= -1.562794 trlgG= -2.227663 logG= -0.656835 TDE= -4.396970 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038712 tlogG= -0.625848 logG= -0.664560 Density= 3.416549 ETOT(band)= -1.570036 trlgG= -2.241636 logG= -0.664560 TDE= -4.402021 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038867 tlogG= -0.624886 logG= -0.663753 Density= 3.416881 ETOT(band)= -1.568884 trlgG= -2.241910 logG= -0.663753 TDE= -4.403375 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039012 tlogG= -0.619528 logG= -0.658540 Density= 3.418189 ETOT(band)= -1.563687 trlgG= -2.230495 logG= -0.658540 TDE= -4.398256 logGD-logG0= -0.039163 tlogG= -0.613662 logG= -0.652825 Density= 3.419277 ETOT(band)= -1.558310 trlgG= -2.221579 logG= -0.652825 TDE= -4.395954 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038977 tlogG= -0.620320 logG= -0.659297 Density= 3.418436 ETOT(band)= -1.564305 trlgG= -2.230579 logG= -0.659297 TDE= -4.397787 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038959 tlogG= -0.619689 logG= -0.658648 Density= 3.417685 ETOT(band)= -1.564322 trlgG= -2.231155 logG= -0.658648 TDE= -4.398391 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039080 tlogG= -0.620532 logG= -0.659611 Density= 3.419370 ETOT(band)= -1.563781 trlgG= -2.229784 logG= -0.659611 TDE= -4.397450 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039030 tlogG= -0.616801 logG= -0.655831 Density= 3.418713 ETOT(band)= -1.561326 trlgG= -2.225260 logG= -0.655831 TDE= -4.396162 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038938 tlogG= -0.622451 logG= -0.661389 Density= 3.418008 ETOT(band)= -1.566200 trlgG= -2.235087 logG= -0.661389 TDE= -4.399849 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039076 tlogG= -0.614249 logG= -0.653325 Density= 3.418994 ETOT(band)= -1.559087 trlgG= -2.221386 logG= -0.653325 TDE= -4.395028 logGD-logG0= -0.038917 tlogG= -0.622704 logG= -0.661621 Density= 3.417354 ETOT(band)= -1.566824 trlgG= -2.237220 logG= -0.661621 TDE= -4.401210 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039167 tlogG= -0.614089 logG= -0.653256 Density= 3.419625 ETOT(band)= -1.558424 trlgG= -2.220754 logG= -0.653256 TDE= -4.394986 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038846 tlogG= -0.625256 logG= -0.664102 Density= 3.417128 ETOT(band)= -1.568986 trlgG= -2.241490 logG= -0.664102 TDE= -4.402811 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039345 tlogG= -0.610541 logG= -0.649886 Density= 3.420430 ETOT(band)= -1.554821 trlgG= -2.216595 logG= -0.649886 TDE= -4.394862 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038899 tlogG= -0.624783 logG= -0.663682 Density= 3.417188 ETOT(band)= -1.568479 trlgG= -2.241451 logG= -0.663682 TDE= -4.403241 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039019 tlogG= -0.620335 logG= -0.659354 Density= 3.418774 ETOT(band)= -1.563979 trlgG= -2.230095 logG= -0.659354 TDE= -4.397526 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038846 tlogG= -0.620498 logG= -0.659344 Density= 3.417122 ETOT(band)= -1.565587 trlgG= -2.232167 logG= -0.659344 TDE= -4.398241 logGD-logG0= -0.039087 tlogG= -0.616289 logG= -0.655376 Density= 3.418816 ETOT(band)= -1.560745 trlgG= -2.225382 logG= -0.655376 TDE= -4.396825 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038907 tlogG= -0.620129 logG= -0.659036 Density= 3.417650 ETOT(band)= -1.564774 trlgG= -2.231548 logG= -0.659036 TDE= -4.398367 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038864 tlogG= -0.623161 logG= -0.662025 Density= 3.417288 ETOT(band)= -1.567313 trlgG= -2.237303 logG= -0.662025 TDE= -4.400834 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038745 tlogG= -0.623073 logG= -0.661817 Density= 3.416969 ETOT(band)= -1.567706 trlgG= -2.236371 logG= -0.661817 TDE= -4.399846 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039106 tlogG= -0.617918 logG= -0.657024 Density= 3.419396 ETOT(band)= -1.561681 trlgG= -2.226055 logG= -0.657024 TDE= -4.396330 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038793 tlogG= -0.622751 logG= -0.661544 Density= 3.416957 ETOT(band)= -1.567421 trlgG= -2.236466 logG= -0.661544 TDE= -4.400205 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039102 tlogG= -0.617564 logG= -0.656666 Density= 3.419146 ETOT(band)= -1.561488 trlgG= -2.226479 logG= -0.656666 TDE= -4.396906 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039000 tlogG= -0.617479 logG= -0.656478 Density= 3.418004 ETOT(band)= -1.562400 trlgG= -2.227556 logG= -0.656478 TDE= -4.397225 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039309 tlogG= -0.612902 logG= -0.652211 Density= 3.420053 ETOT(band)= -1.556927 trlgG= -2.220577 logG= -0.652211 TDE= -4.396208 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.039466 tlogG= -0.609749 logG= -0.649215 Density= 3.420969 ETOT(band)= -1.553648 trlgG= -2.215680 logG= -0.649215 TDE= -4.395064 logGD-logG0= -0.038797 tlogG= -0.627141 logG= -0.665938 Density= 3.416633 ETOT(band)= -1.570745 trlgG= -2.245560 logG= -0.665938 TDE= -4.404636 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038928 tlogG= -0.622125 logG= -0.661053 Density= 3.417721 ETOT(band)= -1.566071 trlgG= -2.235404 logG= -0.661053 TDE= -4.400265 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039236 tlogG= -0.613504 logG= -0.652740 Density= 3.419828 ETOT(band)= -1.557692 trlgG= -2.221010 logG= -0.652740 TDE= -4.395926 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039149 tlogG= -0.615773 logG= -0.654921 Density= 3.418951 ETOT(band)= -1.560141 trlgG= -2.225080 logG= -0.654921 TDE= -4.397089 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039103 tlogG= -0.617192 logG= -0.656295 Density= 3.418921 ETOT(band)= -1.561258 trlgG= -2.226580 logG= -0.656295 TDE= -4.397191 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 Sum of eigenvalues= -1021.41599956570 eV TrLogG= -1457.93393173534 eV Ratio to renormalize= 0.999567233997 rho-rho_expected= 0.071004352779 nargs= 1 argi=dmft2.def 23) Finished k-point number 24 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 4) Finished k-point number 5 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 5) Finished k-point number 6 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 28) Finished k-point number 29 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800598030654981 0.802705374680240 0.802510639264500 0.800166689118122 0.803239089827412 0.802471932233869 0.800892138500996 0.802570073592613 0.802613877907167 0.800802572337201 0.802771062917740 0.802516649985684 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038894 tlogG= -0.626553 logG= -0.665447 Density= 3.416922 ETOT(band)= -1.569961 trlgG= -2.245214 logG= -0.665447 TDE= -4.405020 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038705 tlogG= -0.627703 logG= -0.666408 Density= 3.416380 ETOT(band)= -1.571464 trlgG= -2.245133 logG= -0.666408 TDE= -4.403530 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038799 tlogG= -0.625707 logG= -0.664506 Density= 3.417097 ETOT(band)= -1.569441 trlgG= -2.240948 logG= -0.664506 TDE= -4.401839 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039223 tlogG= -0.611265 logG= -0.650488 Density= 3.419914 ETOT(band)= -1.555893 trlgG= -2.216596 logG= -0.650488 TDE= -4.393835 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039030 tlogG= -0.616807 logG= -0.655837 Density= 3.418712 ETOT(band)= -1.561327 trlgG= -2.225266 logG= -0.655837 TDE= -4.396162 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038938 tlogG= -0.622456 logG= -0.661395 Density= 3.418007 ETOT(band)= -1.566201 trlgG= -2.235093 logG= -0.661395 TDE= -4.399849 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038745 tlogG= -0.623078 logG= -0.661823 Density= 3.416969 ETOT(band)= -1.567707 trlgG= -2.236377 logG= -0.661823 TDE= -4.399846 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038848 tlogG= -0.622388 logG= -0.661235 Density= 3.416957 ETOT(band)= -1.567077 trlgG= -2.236571 logG= -0.661235 TDE= -4.400618 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038854 tlogG= -0.620534 logG= -0.659388 Density= 3.417628 ETOT(band)= -1.565168 trlgG= -2.231564 logG= -0.659388 TDE= -4.398013 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039080 tlogG= -0.620537 logG= -0.659617 Density= 3.419370 ETOT(band)= -1.563782 trlgG= -2.229790 logG= -0.659617 TDE= -4.397450 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039163 tlogG= -0.613667 logG= -0.652830 Density= 3.419276 ETOT(band)= -1.558310 trlgG= -2.221584 logG= -0.652830 TDE= -4.395954 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038954 tlogG= -0.622738 logG= -0.661692 Density= 3.418332 ETOT(band)= -1.566258 trlgG= -2.234599 logG= -0.661692 TDE= -4.399326 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038995 tlogG= -0.619950 logG= -0.658945 Density= 3.418296 ETOT(band)= -1.564029 trlgG= -2.230707 logG= -0.658945 TDE= -4.398152 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038867 tlogG= -0.624892 logG= -0.663759 Density= 3.416880 ETOT(band)= -1.568885 trlgG= -2.241916 logG= -0.663759 TDE= -4.403375 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039087 tlogG= -0.616295 logG= -0.655382 Density= 3.418816 ETOT(band)= -1.560745 trlgG= -2.225388 logG= -0.655382 TDE= -4.396825 logGD-logG0= -0.038846 tlogG= -0.620504 logG= -0.659350 Density= 3.417121 ETOT(band)= -1.565587 trlgG= -2.232173 logG= -0.659350 TDE= -4.398241 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039105 tlogG= -0.617924 logG= -0.657029 logGD-logG0= -0.038814 tlogG= -0.623606 logG= -0.662420 Density= 3.417263 ETOT(band)= -1.567758 trlgG= -2.237262 logG= -0.662420 TDE= -4.400377 Density= 3.419395 ETOT(band)= -1.561681 trlgG= -2.226061 logG= -0.657029 TDE= -4.396330 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039076 tlogG= -0.614255 logG= -0.653331 Density= 3.418993 ETOT(band)= -1.559087 trlgG= -2.221392 logG= -0.653331 TDE= -4.395027 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038897 tlogG= -0.618269 logG= -0.657166 Density= 3.417993 ETOT(band)= -1.563157 trlgG= -2.227472 logG= -0.657166 TDE= -4.396445 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038793 tlogG= -0.622756 logG= -0.661549 Density= 3.416957 ETOT(band)= -1.567422 trlgG= -2.236472 logG= -0.661549 TDE= -4.400205 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038959 tlogG= -0.619694 logG= -0.658653 Density= 3.417685 ETOT(band)= -1.564322 trlgG= -2.231161 logG= -0.658653 TDE= -4.398391 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038712 tlogG= -0.625853 logG= -0.664565 Density= 3.416549 ETOT(band)= -1.570037 trlgG= -2.241642 logG= -0.664565 TDE= -4.402021 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038917 tlogG= -0.622710 logG= -0.661627 Density= 3.417354 ETOT(band)= -1.566824 trlgG= -2.237226 logG= -0.661627 TDE= -4.401210 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038977 tlogG= -0.620326 logG= -0.659303 Density= 3.418436 ETOT(band)= -1.564306 trlgG= -2.230585 logG= -0.659303 TDE= -4.397787 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038864 tlogG= -0.623166 logG= -0.662031 Density= 3.417288 ETOT(band)= -1.567313 trlgG= -2.237309 logG= -0.662031 TDE= -4.400834 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038789 tlogG= -0.625392 logG= -0.664181 Density= 3.416706 ETOT(band)= -1.569489 trlgG= -2.242064 logG= -0.664181 TDE= -4.402958 logGD-logG0= -0.038927 tlogG= -0.622131 logG= -0.661059 Density= 3.417721 ETOT(band)= -1.566072 trlgG= -2.235410 logG= -0.661059 TDE= -4.400265 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038907 tlogG= -0.620135 logG= -0.659042 Density= 3.417649 ETOT(band)= -1.564774 trlgG= -2.231554 logG= -0.659042 TDE= -4.398367 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039103 tlogG= -0.617197 logG= -0.656300 Density= 3.418921 ETOT(band)= -1.561259 trlgG= -2.226586 logG= -0.656300 TDE= -4.397191 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.039000 tlogG= -0.617484 logG= -0.656484 Density= 3.418003 ETOT(band)= -1.562400 trlgG= -2.227562 logG= -0.656484 TDE= -4.397225 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039345 tlogG= -0.610547 logG= -0.649892 Density= 3.420429 ETOT(band)= -1.554821 trlgG= -2.216600 logG= -0.649892 TDE= -4.394862 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039019 tlogG= -0.620341 logG= -0.659359 Density= 3.418774 ETOT(band)= -1.563980 trlgG= -2.230101 logG= -0.659359 TDE= -4.397526 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038789 tlogG= -0.621002 logG= -0.659791 Density= 3.417432 ETOT(band)= -1.565818 trlgG= -2.232381 logG= -0.659791 TDE= -4.398265 logGD-logG0= -0.038966 tlogG= -0.620135 logG= -0.659101 Density= 3.418230 ETOT(band)= -1.564137 trlgG= -2.230410 logG= -0.659101 TDE= -4.397644 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038797 tlogG= -0.627147 logG= -0.665944 Density= 3.416633 ETOT(band)= -1.570745 trlgG= -2.245566 logG= -0.665944 TDE= -4.404636 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039102 tlogG= -0.617569 logG= -0.656671 Density= 3.419146 ETOT(band)= -1.561489 trlgG= -2.226485 logG= -0.656671 TDE= -4.396906 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039012 tlogG= -0.619534 logG= -0.658546 Density= 3.418188 ETOT(band)= -1.563688 trlgG= -2.230501 logG= -0.658546 TDE= -4.398256 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039466 tlogG= -0.609755 logG= -0.649221 Density= 3.420968 ETOT(band)= -1.553649 trlgG= -2.215686 logG= -0.649221 TDE= -4.395063 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038846 tlogG= -0.625262 logG= -0.664108 Density= 3.417128 ETOT(band)= -1.568986 trlgG= -2.241496 logG= -0.664108 TDE= -4.402811 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038950 tlogG= -0.617891 logG= -0.656840 Density= 3.417996 ETOT(band)= -1.562794 trlgG= -2.227669 logG= -0.656840 TDE= -4.396969 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039251 tlogG= -0.613051 logG= -0.652303 Density= 3.419557 ETOT(band)= -1.557501 trlgG= -2.221074 logG= -0.652303 TDE= -4.396203 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039149 tlogG= -0.615778 logG= -0.654927 Density= 3.418951 ETOT(band)= -1.560141 trlgG= -2.225086 logG= -0.654927 TDE= -4.397089 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=118 logGD-logG0= -0.039236 tlogG= -0.613509 logG= -0.652746 Density= 3.419827 ETOT(band)= -1.557692 trlgG= -2.221016 logG= -0.652746 TDE= -4.395925 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038899 tlogG= -0.624789 logG= -0.663688 Density= 3.417187 ETOT(band)= -1.568480 trlgG= -2.241457 logG= -0.663688 TDE= -4.403241 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039167 tlogG= -0.614095 logG= -0.653261 Density= 3.419624 ETOT(band)= -1.558425 trlgG= -2.220760 logG= -0.653261 TDE= -4.394986 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039308 tlogG= -0.612908 logG= -0.652216 Density= 3.420052 ETOT(band)= -1.556927 trlgG= -2.220583 logG= -0.652216 TDE= -4.396208 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038814 tlogG= -0.620758 logG= -0.659572 Density= 3.417272 ETOT(band)= -1.565711 trlgG= -2.232202 logG= -0.659572 TDE= -4.398172 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Sum of eigenvalues= -1021.41634604495 eV TrLogG= -1457.93762108384 eV Ratio to renormalize= 0.999567350624 rho-rho_expected= 0.070985209351 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 37) Finished k-point number 38 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 38) Finished k-point number 39 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 23) Finished k-point number 24 1 with #bands= 107 39) Finished k-point number 40 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 12) Finished k-point number 13 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800597785789799 0.802705134757402 0.802510483502342 0.800166444496034 0.803238841219815 0.802471788895492 0.800891897366022 0.802569833489492 0.802613721123592 0.800802326099701 0.802770813797331 0.802516507781588 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039087 tlogG= -0.616294 logG= -0.655381 Density= 3.418815 ETOT(band)= -1.560745 trlgG= -2.225386 logG= -0.655381 TDE= -4.396824 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039030 tlogG= -0.616806 logG= -0.655836 Density= 3.418712 ETOT(band)= -1.561326 trlgG= -2.225264 logG= -0.655836 TDE= -4.396161 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039076 tlogG= -0.614254 logG= -0.653330 Density= 3.418993 ETOT(band)= -1.559087 trlgG= -2.221391 logG= -0.653330 TDE= -4.395026 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038959 tlogG= -0.619694 logG= -0.658653 Density= 3.417684 ETOT(band)= -1.564322 trlgG= -2.231160 logG= -0.658653 TDE= -4.398390 logGD-logG0= -0.038854 tlogG= -0.620533 logG= -0.659387 Density= 3.417628 ETOT(band)= -1.565168 trlgG= -2.231563 logG= -0.659387 TDE= -4.398012 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039163 tlogG= -0.613667 logG= -0.652830 Density= 3.419276 ETOT(band)= -1.558310 trlgG= -2.221583 logG= -0.652830 TDE= -4.395953 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038927 tlogG= -0.622130 logG= -0.661058 Density= 3.417720 ETOT(band)= -1.566071 trlgG= -2.235409 logG= -0.661058 TDE= -4.400264 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038705 tlogG= -0.627702 logG= -0.666407 Density= 3.416380 ETOT(band)= -1.571463 trlgG= -2.245132 logG= -0.666407 TDE= -4.403529 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038966 tlogG= -0.620134 logG= -0.659100 Density= 3.418230 ETOT(band)= -1.564136 trlgG= -2.230409 logG= -0.659100 TDE= -4.397643 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038896 tlogG= -0.618269 logG= -0.657165 Density= 3.417993 ETOT(band)= -1.563157 trlgG= -2.227471 logG= -0.657165 TDE= -4.396444 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038847 tlogG= -0.622387 logG= -0.661234 Density= 3.416957 ETOT(band)= -1.567076 trlgG= -2.236570 logG= -0.661234 TDE= -4.400617 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038999 tlogG= -0.617484 logG= -0.656483 Density= 3.418003 ETOT(band)= -1.562400 trlgG= -2.227561 logG= -0.656483 TDE= -4.397224 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038977 tlogG= -0.620325 logG= -0.659302 Density= 3.418435 ETOT(band)= -1.564305 trlgG= -2.230584 logG= -0.659302 TDE= -4.397786 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038867 tlogG= -0.624891 logG= -0.663758 Density= 3.416880 ETOT(band)= -1.568884 trlgG= -2.241914 logG= -0.663758 TDE= -4.403374 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038799 tlogG= -0.625707 logG= -0.664506 Density= 3.417096 ETOT(band)= -1.569440 trlgG= -2.240947 logG= -0.664506 TDE= -4.401838 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038894 tlogG= -0.626552 logG= -0.665446 Density= 3.416921 ETOT(band)= -1.569961 trlgG= -2.245212 logG= -0.665446 TDE= -4.405019 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038814 tlogG= -0.623605 logG= -0.662419 Density= 3.417263 ETOT(band)= -1.567757 trlgG= -2.237261 logG= -0.662419 TDE= -4.400376 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038954 tlogG= -0.622737 logG= -0.661691 Density= 3.418332 ETOT(band)= -1.566257 trlgG= -2.234598 logG= -0.661691 TDE= -4.399325 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038846 tlogG= -0.620503 logG= -0.659349 Density= 3.417121 ETOT(band)= -1.565587 trlgG= -2.232171 logG= -0.659349 TDE= -4.398240 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038938 tlogG= -0.622456 logG= -0.661394 Density= 3.418007 ETOT(band)= -1.566200 trlgG= -2.235092 logG= -0.661394 TDE= -4.399848 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039236 tlogG= -0.613509 logG= -0.652745 Density= 3.419827 ETOT(band)= -1.557692 trlgG= -2.221014 logG= -0.652745 TDE= -4.395924 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038899 tlogG= -0.624788 logG= -0.663687 Density= 3.417187 ETOT(band)= -1.568479 trlgG= -2.241455 logG= -0.663687 TDE= -4.403240 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039102 tlogG= -0.617569 logG= -0.656670 Density= 3.419145 ETOT(band)= -1.561488 trlgG= -2.226484 logG= -0.656670 TDE= -4.396905 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038789 tlogG= -0.625391 logG= -0.664180 Density= 3.416705 ETOT(band)= -1.569489 trlgG= -2.242063 logG= -0.664180 TDE= -4.402957 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038744 tlogG= -0.623078 logG= -0.661822 Density= 3.416969 ETOT(band)= -1.567706 trlgG= -2.236376 logG= -0.661822 TDE= -4.399845 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038995 tlogG= -0.619949 logG= -0.658944 Density= 3.418296 ETOT(band)= -1.564028 trlgG= -2.230706 logG= -0.658944 TDE= -4.398151 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038797 tlogG= -0.627146 logG= -0.665943 Density= 3.416633 ETOT(band)= -1.570745 trlgG= -2.245565 logG= -0.665943 TDE= -4.404635 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038917 tlogG= -0.622709 logG= -0.661626 Density= 3.417354 ETOT(band)= -1.566824 trlgG= -2.237225 logG= -0.661626 TDE= -4.401209 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039223 tlogG= -0.611264 logG= -0.650487 Density= 3.419913 ETOT(band)= -1.555892 trlgG= -2.216595 logG= -0.650487 TDE= -4.393834 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039308 tlogG= -0.612907 logG= -0.652215 Density= 3.420052 ETOT(band)= -1.556927 trlgG= -2.220582 logG= -0.652215 TDE= -4.396207 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038789 tlogG= -0.621002 logG= -0.659790 Density= 3.417432 ETOT(band)= -1.565817 trlgG= -2.232380 logG= -0.659790 TDE= -4.398264 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039103 tlogG= -0.617197 logG= -0.656300 Density= 3.418920 ETOT(band)= -1.561258 trlgG= -2.226585 logG= -0.656300 TDE= -4.397190 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039148 tlogG= -0.615778 logG= -0.654926 Density= 3.418950 ETOT(band)= -1.560140 trlgG= -2.225084 logG= -0.654926 TDE= -4.397088 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.039466 tlogG= -0.609754 logG= -0.649220 Density= 3.420968 ETOT(band)= -1.553648 trlgG= -2.215684 logG= -0.649220 TDE= -4.395062 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039019 tlogG= -0.620340 logG= -0.659359 Density= 3.418773 ETOT(band)= -1.563979 trlgG= -2.230100 logG= -0.659359 TDE= -4.397525 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039251 tlogG= -0.613051 logG= -0.652302 Density= 3.419557 ETOT(band)= -1.557501 trlgG= -2.221072 logG= -0.652302 TDE= -4.396202 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039012 tlogG= -0.619533 logG= -0.658545 Density= 3.418188 ETOT(band)= -1.563687 trlgG= -2.230500 logG= -0.658545 TDE= -4.398255 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039167 tlogG= -0.614094 logG= -0.653261 Density= 3.419624 ETOT(band)= -1.558424 trlgG= -2.220758 logG= -0.653261 TDE= -4.394984 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038864 tlogG= -0.623166 logG= -0.662030 Density= 3.417288 ETOT(band)= -1.567313 trlgG= -2.237308 logG= -0.662030 TDE= -4.400833 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038814 tlogG= -0.620758 logG= -0.659571 Density= 3.417271 ETOT(band)= -1.565711 trlgG= -2.232201 logG= -0.659571 TDE= -4.398171 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038712 tlogG= -0.625853 logG= -0.664565 Density= 3.416548 ETOT(band)= -1.570036 trlgG= -2.241641 logG= -0.664565 TDE= -4.402020 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038949 tlogG= -0.617890 logG= -0.656840 Density= 3.417996 ETOT(band)= -1.562794 trlgG= -2.227667 logG= -0.656840 TDE= -4.396968 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039105 tlogG= -0.617923 logG= -0.657029 Density= 3.419395 ETOT(band)= -1.561681 trlgG= -2.226060 logG= -0.657029 TDE= -4.396329 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038907 tlogG= -0.620134 logG= -0.659041 Density= 3.417649 ETOT(band)= -1.564774 trlgG= -2.231553 logG= -0.659041 TDE= -4.398366 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038793 tlogG= -0.622756 logG= -0.661549 Density= 3.416956 ETOT(band)= -1.567421 trlgG= -2.236471 logG= -0.661549 TDE= -4.400204 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038846 tlogG= -0.625261 logG= -0.664107 Density= 3.417127 ETOT(band)= -1.568986 trlgG= -2.241494 logG= -0.664107 TDE= -4.402810 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039345 tlogG= -0.610546 logG= -0.649891 Density= 3.420429 ETOT(band)= -1.554821 trlgG= -2.216599 logG= -0.649891 TDE= -4.394860 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039079 tlogG= -0.620537 logG= -0.659616 Density= 3.419369 ETOT(band)= -1.563781 trlgG= -2.229789 logG= -0.659616 TDE= -4.397450 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 Sum of eigenvalues= -1021.41592966934 eV TrLogG= -1457.93647550410 eV Ratio to renormalize= 0.999567472264 rho-rho_expected= 0.070965243121 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 33) Finished k-point number 34 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 46) Finished k-point number 47 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 37) Finished k-point number 38 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800595840024014 0.802703190914263 0.802508573591759 0.800164492028406 0.803236901147322 0.802469891851131 0.800889972261460 0.802567870829516 0.802611820270541 0.800800393715227 0.802768884952154 0.802514588663278 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038894 tlogG= -0.626553 logG= -0.665447 Density= 3.416920 ETOT(band)= -1.569959 trlgG= -2.245212 logG= -0.665447 TDE= -4.405017 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038916 tlogG= -0.622710 logG= -0.661627 Density= 3.417353 ETOT(band)= -1.566822 trlgG= -2.237224 logG= -0.661627 TDE= -4.401207 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039086 tlogG= -0.616295 logG= -0.655382 Density= 3.418814 ETOT(band)= -1.560743 trlgG= -2.225385 logG= -0.655382 TDE= -4.396821 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038705 tlogG= -0.627703 logG= -0.666408 Density= 3.416379 ETOT(band)= -1.571462 trlgG= -2.245131 logG= -0.666408 TDE= -4.403527 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038867 tlogG= -0.624892 logG= -0.663759 Density= 3.416879 ETOT(band)= -1.568883 trlgG= -2.241913 logG= -0.663759 TDE= -4.403372 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039018 tlogG= -0.620341 logG= -0.659359 Density= 3.418773 ETOT(band)= -1.563978 trlgG= -2.230099 logG= -0.659359 TDE= -4.397523 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038976 tlogG= -0.620326 logG= -0.659303 Density= 3.418435 ETOT(band)= -1.564303 trlgG= -2.230583 logG= -0.659303 TDE= -4.397784 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038847 tlogG= -0.622388 logG= -0.661235 Density= 3.416956 ETOT(band)= -1.567075 trlgG= -2.236569 logG= -0.661235 TDE= -4.400614 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038846 tlogG= -0.620504 logG= -0.659350 Density= 3.417120 ETOT(band)= -1.565585 trlgG= -2.232170 logG= -0.659350 TDE= -4.398238 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038953 tlogG= -0.622738 logG= -0.661692 Density= 3.418331 ETOT(band)= -1.566255 trlgG= -2.234597 logG= -0.661692 TDE= -4.399323 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038995 tlogG= -0.619950 logG= -0.658945 Density= 3.418295 ETOT(band)= -1.564027 trlgG= -2.230705 logG= -0.658945 TDE= -4.398148 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038799 tlogG= -0.625708 logG= -0.664506 Density= 3.417095 ETOT(band)= -1.569439 trlgG= -2.240946 logG= -0.664506 TDE= -4.401836 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038854 tlogG= -0.620534 logG= -0.659388 Density= 3.417627 ETOT(band)= -1.565166 trlgG= -2.231562 logG= -0.659388 TDE= -4.398010 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038927 tlogG= -0.622131 logG= -0.661058 Density= 3.417719 ETOT(band)= -1.566070 trlgG= -2.235408 logG= -0.661058 TDE= -4.400262 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038814 tlogG= -0.623606 logG= -0.662420 Density= 3.417262 ETOT(band)= -1.567756 trlgG= -2.237260 logG= -0.662420 TDE= -4.400374 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039029 tlogG= -0.616807 logG= -0.655836 Density= 3.418711 ETOT(band)= -1.561325 trlgG= -2.225263 logG= -0.655836 TDE= -4.396159 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038965 tlogG= -0.620135 logG= -0.659100 Density= 3.418229 ETOT(band)= -1.564135 trlgG= -2.230408 logG= -0.659100 TDE= -4.397641 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038999 tlogG= -0.617484 logG= -0.656484 Density= 3.418002 ETOT(band)= -1.562398 trlgG= -2.227560 logG= -0.656484 TDE= -4.397222 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038938 tlogG= -0.622456 logG= -0.661394 Density= 3.418006 ETOT(band)= -1.566199 trlgG= -2.235091 logG= -0.661394 TDE= -4.399845 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039345 tlogG= -0.610547 logG= -0.649892 Density= 3.420428 ETOT(band)= -1.554819 trlgG= -2.216598 logG= -0.649892 TDE= -4.394858 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039103 tlogG= -0.617198 logG= -0.656300 Density= 3.418919 ETOT(band)= -1.561257 trlgG= -2.226584 logG= -0.656300 TDE= -4.397188 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039148 tlogG= -0.615779 logG= -0.654927 Density= 3.418949 ETOT(band)= -1.560139 trlgG= -2.225083 logG= -0.654927 TDE= -4.397085 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038846 tlogG= -0.625262 logG= -0.664108 Density= 3.417126 ETOT(band)= -1.568984 trlgG= -2.241494 logG= -0.664108 TDE= -4.402808 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038896 tlogG= -0.618269 logG= -0.657165 Density= 3.417992 ETOT(band)= -1.563155 trlgG= -2.227470 logG= -0.657165 TDE= -4.396442 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038797 tlogG= -0.627147 logG= -0.665944 Density= 3.416632 ETOT(band)= -1.570743 trlgG= -2.245564 logG= -0.665944 TDE= -4.404633 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038788 tlogG= -0.625392 logG= -0.664180 Density= 3.416704 ETOT(band)= -1.569487 trlgG= -2.242062 logG= -0.664180 TDE= -4.402955 logGD-logG0= -0.039076 tlogG= -0.614255 logG= -0.653330 Density= 3.418992 ETOT(band)= -1.559085 trlgG= -2.221390 logG= -0.653330 TDE= -4.395024 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038744 tlogG= -0.623079 logG= -0.661823 Density= 3.416968 ETOT(band)= -1.567704 trlgG= -2.236375 logG= -0.661823 TDE= -4.399843 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038898 tlogG= -0.624789 logG= -0.663688 Density= 3.417186 ETOT(band)= -1.568478 trlgG= -2.241455 logG= -0.663688 TDE= -4.403238 logGD-logG0= -0.038788 tlogG= -0.621002 logG= -0.659791 Density= 3.417431 ETOT(band)= -1.565815 trlgG= -2.232379 logG= -0.659791 TDE= -4.398262 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.039466 tlogG= -0.609755 logG= -0.649221 Density= 3.420967 ETOT(band)= -1.553647 trlgG= -2.215683 logG= -0.649221 TDE= -4.395060 logGD-logG0= -0.039163 tlogG= -0.613668 logG= -0.652830 Density= 3.419275 ETOT(band)= -1.558308 trlgG= -2.221582 logG= -0.652830 TDE= -4.395950 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038959 tlogG= -0.619695 logG= -0.658653 Density= 3.417683 ETOT(band)= -1.564320 trlgG= -2.231159 logG= -0.658653 TDE= -4.398388 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039223 tlogG= -0.611265 logG= -0.650488 Density= 3.419912 ETOT(band)= -1.555891 trlgG= -2.216594 logG= -0.650488 TDE= -4.393831 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039308 tlogG= -0.612908 logG= -0.652216 Density= 3.420051 ETOT(band)= -1.556925 trlgG= -2.220581 logG= -0.652216 TDE= -4.396205 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.039079 tlogG= -0.620538 logG= -0.659617 Density= 3.419369 ETOT(band)= -1.563780 trlgG= -2.229788 logG= -0.659617 TDE= -4.397447 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038864 tlogG= -0.623167 logG= -0.662031 Density= 3.417287 ETOT(band)= -1.567311 trlgG= -2.237307 logG= -0.662031 TDE= -4.400831 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039012 tlogG= -0.619534 logG= -0.658546 Density= 3.418187 ETOT(band)= -1.563686 trlgG= -2.230499 logG= -0.658546 TDE= -4.398252 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039236 tlogG= -0.613510 logG= -0.652746 Density= 3.419826 ETOT(band)= -1.557690 trlgG= -2.221013 logG= -0.652746 TDE= -4.395922 logGD-logG0= -0.038793 tlogG= -0.622757 logG= -0.661549 Density= 3.416955 ETOT(band)= -1.567420 trlgG= -2.236470 logG= -0.661549 TDE= -4.400202 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038813 tlogG= -0.620759 logG= -0.659572 Density= 3.417270 ETOT(band)= -1.565709 trlgG= -2.232200 logG= -0.659572 TDE= -4.398169 logGD-logG0= -0.038907 tlogG= -0.620135 logG= -0.659041 Density= 3.417648 ETOT(band)= -1.564772 trlgG= -2.231552 logG= -0.659041 TDE= -4.398364 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038711 tlogG= -0.625854 logG= -0.664565 Density= 3.416547 ETOT(band)= -1.570035 trlgG= -2.241640 logG= -0.664565 TDE= -4.402018 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039105 tlogG= -0.617924 logG= -0.657029 Density= 3.419394 ETOT(band)= -1.561679 trlgG= -2.226059 logG= -0.657029 TDE= -4.396327 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039101 tlogG= -0.617570 logG= -0.656671 Density= 3.419144 ETOT(band)= -1.561487 trlgG= -2.226483 logG= -0.656671 TDE= -4.396902 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039251 tlogG= -0.613052 logG= -0.652302 Density= 3.419556 ETOT(band)= -1.557499 trlgG= -2.221071 logG= -0.652302 TDE= -4.396199 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039166 tlogG= -0.614095 logG= -0.653261 Density= 3.419623 ETOT(band)= -1.558423 trlgG= -2.220757 logG= -0.653261 TDE= -4.394982 logGD-logG0= -0.038949 tlogG= -0.617891 logG= -0.656840 Density= 3.417995 ETOT(band)= -1.562792 trlgG= -2.227666 logG= -0.656840 TDE= -4.396966 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 Sum of eigenvalues= -1021.41498847128 eV TrLogG= -1457.93532656259 eV Ratio to renormalize= 0.999567763936 rho-rho_expected= 0.070917367598 nargs= 1 argi=dmft2.def 46) Finished k-point number 47 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 30) Finished k-point number 31 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 11) Finished k-point number 12 1 with #bands= 107 43) Finished k-point number 44 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800578696705844 0.802689101050217 0.802491239905907 0.800147224878894 0.803222732187235 0.802452829597906 0.800872897139404 0.802553813874553 0.802594500104687 0.800783295495295 0.802754716873189 0.802497445084594 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038893 tlogG= -0.618273 logG= -0.657166 Density= 3.417982 ETOT(band)= -1.563152 trlgG= -2.227467 logG= -0.657166 TDE= -4.396430 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038935 tlogG= -0.622461 logG= -0.661395 Density= 3.417997 ETOT(band)= -1.566195 trlgG= -2.235088 logG= -0.661395 TDE= -4.399834 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038785 tlogG= -0.625397 logG= -0.664181 Density= 3.416695 ETOT(band)= -1.569485 trlgG= -2.242060 logG= -0.664181 TDE= -4.402944 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038795 tlogG= -0.625712 logG= -0.664507 Density= 3.417086 ETOT(band)= -1.569436 trlgG= -2.240945 logG= -0.664507 TDE= -4.401826 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039083 tlogG= -0.616299 logG= -0.655382 Density= 3.418805 ETOT(band)= -1.560740 trlgG= -2.225380 logG= -0.655382 TDE= -4.396808 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038946 tlogG= -0.617895 logG= -0.656841 Density= 3.417985 ETOT(band)= -1.562789 trlgG= -2.227662 logG= -0.656841 TDE= -4.396953 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038851 tlogG= -0.620538 logG= -0.659389 Density= 3.417617 ETOT(band)= -1.565163 trlgG= -2.231560 logG= -0.659389 TDE= -4.398000 logGD-logG0= -0.039163 tlogG= -0.614099 logG= -0.653262 Density= 3.419613 ETOT(band)= -1.558420 trlgG= -2.220752 logG= -0.653262 TDE= -4.394969 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038810 tlogG= -0.623611 logG= -0.662421 Density= 3.417252 ETOT(band)= -1.567753 trlgG= -2.237259 logG= -0.662421 TDE= -4.400364 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038785 tlogG= -0.621006 logG= -0.659792 Density= 3.417422 ETOT(band)= -1.565812 trlgG= -2.232378 logG= -0.659792 TDE= -4.398253 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039072 tlogG= -0.614259 logG= -0.653331 Density= 3.418982 ETOT(band)= -1.559082 trlgG= -2.221385 logG= -0.653331 TDE= -4.395011 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039159 tlogG= -0.613672 logG= -0.652831 Density= 3.419265 ETOT(band)= -1.558305 trlgG= -2.221577 logG= -0.652831 TDE= -4.395936 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039098 tlogG= -0.617574 logG= -0.656672 Density= 3.419135 ETOT(band)= -1.561483 trlgG= -2.226479 logG= -0.656672 TDE= -4.396890 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038890 tlogG= -0.626558 logG= -0.665448 Density= 3.416910 ETOT(band)= -1.569957 trlgG= -2.245210 logG= -0.665448 TDE= -4.405006 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039008 tlogG= -0.619538 logG= -0.658547 Density= 3.418177 ETOT(band)= -1.563683 trlgG= -2.230496 logG= -0.658547 TDE= -4.398241 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038842 tlogG= -0.620508 logG= -0.659350 Density= 3.417110 ETOT(band)= -1.565582 trlgG= -2.232169 logG= -0.659350 TDE= -4.398227 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038864 tlogG= -0.624896 logG= -0.663760 Density= 3.416869 ETOT(band)= -1.568880 trlgG= -2.241912 logG= -0.663760 TDE= -4.403361 logGD-logG0= -0.038973 tlogG= -0.620330 logG= -0.659304 Density= 3.418425 ETOT(band)= -1.564300 trlgG= -2.230580 logG= -0.659304 TDE= -4.397773 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038992 tlogG= -0.619954 logG= -0.658946 Density= 3.418285 ETOT(band)= -1.564024 trlgG= -2.230703 logG= -0.658946 TDE= -4.398137 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038913 tlogG= -0.622715 logG= -0.661628 Density= 3.417343 ETOT(band)= -1.566820 trlgG= -2.237222 logG= -0.661628 TDE= -4.401195 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038701 tlogG= -0.627708 logG= -0.666409 Density= 3.416369 ETOT(band)= -1.571460 trlgG= -2.245130 logG= -0.666409 TDE= -4.403516 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038842 tlogG= -0.625267 logG= -0.664109 Density= 3.417117 ETOT(band)= -1.568982 trlgG= -2.241492 logG= -0.664109 TDE= -4.402797 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038789 tlogG= -0.622761 logG= -0.661550 Density= 3.416946 ETOT(band)= -1.567417 trlgG= -2.236468 logG= -0.661550 TDE= -4.400191 logGD-logG0= -0.039015 tlogG= -0.620345 logG= -0.659360 Density= 3.418764 ETOT(band)= -1.563974 trlgG= -2.230097 logG= -0.659360 TDE= -4.397513 logGD-logG0= -0.039026 tlogG= -0.616811 logG= -0.655837 Density= 3.418701 ETOT(band)= -1.561321 trlgG= -2.225259 logG= -0.655837 TDE= -4.396146 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038844 tlogG= -0.622392 logG= -0.661236 Density= 3.416946 ETOT(band)= -1.567072 trlgG= -2.236567 logG= -0.661236 TDE= -4.400603 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039233 tlogG= -0.613514 logG= -0.652746 Density= 3.419816 ETOT(band)= -1.557687 trlgG= -2.221008 logG= -0.652746 TDE= -4.395908 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038950 tlogG= -0.622742 logG= -0.661692 Density= 3.418322 ETOT(band)= -1.566252 trlgG= -2.234595 logG= -0.661692 TDE= -4.399313 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.039145 tlogG= -0.615783 logG= -0.654928 Density= 3.418939 ETOT(band)= -1.560136 trlgG= -2.225078 logG= -0.654928 TDE= -4.397072 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=118 logGD-logG0= -0.038955 tlogG= -0.619699 logG= -0.658654 Density= 3.417673 ETOT(band)= -1.564317 trlgG= -2.231157 logG= -0.658654 TDE= -4.398377 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039247 tlogG= -0.613056 logG= -0.652303 Density= 3.419546 ETOT(band)= -1.557496 trlgG= -2.221066 logG= -0.652303 TDE= -4.396186 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039462 tlogG= -0.609759 logG= -0.649221 Density= 3.420957 ETOT(band)= -1.553644 trlgG= -2.215678 logG= -0.649221 TDE= -4.395046 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038895 tlogG= -0.624794 logG= -0.663689 Density= 3.417176 ETOT(band)= -1.568475 trlgG= -2.241453 logG= -0.663689 TDE= -4.403227 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039305 tlogG= -0.612912 logG= -0.652217 Density= 3.420041 ETOT(band)= -1.556922 trlgG= -2.220576 logG= -0.652217 TDE= -4.396191 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038708 tlogG= -0.625858 logG= -0.664566 Density= 3.416538 ETOT(band)= -1.570032 trlgG= -2.241639 logG= -0.664566 TDE= -4.402008 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039099 tlogG= -0.617202 logG= -0.656301 Density= 3.418910 ETOT(band)= -1.561253 trlgG= -2.226580 logG= -0.656301 TDE= -4.397175 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038810 tlogG= -0.620763 logG= -0.659573 Density= 3.417261 ETOT(band)= -1.565706 trlgG= -2.232199 logG= -0.659573 TDE= -4.398159 logGD-logG0= -0.038903 tlogG= -0.620139 logG= -0.659042 Density= 3.417638 ETOT(band)= -1.564769 trlgG= -2.231550 logG= -0.659042 TDE= -4.398353 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039341 tlogG= -0.610551 logG= -0.649892 Density= 3.420418 ETOT(band)= -1.554816 trlgG= -2.216593 logG= -0.649892 TDE= -4.394844 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038794 tlogG= -0.627152 logG= -0.665945 Density= 3.416622 ETOT(band)= -1.570741 trlgG= -2.245563 logG= -0.665945 TDE= -4.404622 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038996 tlogG= -0.617489 logG= -0.656484 Density= 3.417992 ETOT(band)= -1.562395 trlgG= -2.227556 logG= -0.656484 TDE= -4.397209 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038861 tlogG= -0.623171 logG= -0.662032 Density= 3.417277 ETOT(band)= -1.567309 trlgG= -2.237306 logG= -0.662032 TDE= -4.400820 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038962 tlogG= -0.620139 logG= -0.659101 Density= 3.418219 ETOT(band)= -1.564132 trlgG= -2.230406 logG= -0.659101 TDE= -4.397631 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039076 tlogG= -0.620541 logG= -0.659617 Density= 3.419360 ETOT(band)= -1.563776 trlgG= -2.229786 logG= -0.659617 TDE= -4.397438 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039102 tlogG= -0.617928 logG= -0.657030 Density= 3.419385 ETOT(band)= -1.561675 trlgG= -2.226055 logG= -0.657030 TDE= -4.396315 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038924 tlogG= -0.622136 logG= -0.661059 Density= 3.417710 ETOT(band)= -1.566067 trlgG= -2.235406 logG= -0.661059 TDE= -4.400251 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039219 tlogG= -0.611269 logG= -0.650488 Density= 3.419902 ETOT(band)= -1.555888 trlgG= -2.216589 logG= -0.650488 TDE= -4.393818 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038741 tlogG= -0.623083 logG= -0.661824 Density= 3.416958 ETOT(band)= -1.567701 trlgG= -2.236375 logG= -0.661824 TDE= -4.399834 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 Sum of eigenvalues= -1021.41301893031 eV TrLogG= -1457.92834641133 eV Ratio to renormalize= 0.999570583125 rho-rho_expected= 0.070454621823 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 37) Finished k-point number 38 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 45) Finished k-point number 46 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 47) Finished k-point number 48 1 with #bands= 104 7) Finished k-point number 8 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800577493217093 0.802686205090422 0.802489995921626 0.800146036008880 0.803219897468143 0.802451544626342 0.800871696406581 0.802550903012743 0.802593276774440 0.800782122245759 0.802751931938184 0.802496076865239 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038581 tlogG= -0.625719 logG= -0.664300 Density= 3.416965 ETOT(band)= -1.569548 trlgG= -2.240836 logG= -0.664300 TDE= -4.401824 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038629 tlogG= -0.620515 logG= -0.659144 Density= 3.416992 ETOT(band)= -1.565692 trlgG= -2.232059 logG= -0.659144 TDE= -4.398226 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038637 tlogG= -0.620545 logG= -0.659183 Density= 3.417502 ETOT(band)= -1.565271 trlgG= -2.231447 logG= -0.659183 TDE= -4.397998 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038487 tlogG= -0.627715 logG= -0.666202 Density= 3.416246 ETOT(band)= -1.571573 trlgG= -2.245022 logG= -0.666202 TDE= -4.403514 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=126 logGD-logG0= -0.038579 tlogG= -0.627159 logG= -0.665738 Density= 3.416500 ETOT(band)= -1.570854 trlgG= -2.245454 logG= -0.665738 TDE= -4.404620 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038760 tlogG= -0.620338 logG= -0.659097 Density= 3.418312 ETOT(band)= -1.564407 trlgG= -2.230466 logG= -0.659097 TDE= -4.397771 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038860 tlogG= -0.614266 logG= -0.653127 Density= 3.418880 ETOT(band)= -1.559182 trlgG= -2.221264 logG= -0.653127 TDE= -4.395009 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039036 tlogG= -0.613063 logG= -0.652099 Density= 3.419445 ETOT(band)= -1.557594 trlgG= -2.220943 logG= -0.652099 TDE= -4.396184 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038596 tlogG= -0.623618 logG= -0.662214 Density= 3.417133 ETOT(band)= -1.567864 trlgG= -2.237149 logG= -0.662214 TDE= -4.400362 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038571 tlogG= -0.621014 logG= -0.659585 Density= 3.417304 ETOT(band)= -1.565920 trlgG= -2.232267 logG= -0.659585 TDE= -4.398251 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038813 tlogG= -0.616819 logG= -0.655632 Density= 3.418594 ETOT(band)= -1.561424 trlgG= -2.225141 logG= -0.655632 TDE= -4.396144 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038680 tlogG= -0.618281 logG= -0.656961 Density= 3.417870 ETOT(band)= -1.563257 trlgG= -2.227352 logG= -0.656961 TDE= -4.396428 logGD-logG0= -0.038947 tlogG= -0.613679 logG= -0.652627 Density= 3.419164 ETOT(band)= -1.558404 trlgG= -2.221454 logG= -0.652627 TDE= -4.395934 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038676 tlogG= -0.626565 logG= -0.665241 Density= 3.416791 ETOT(band)= -1.570069 trlgG= -2.245101 logG= -0.665241 TDE= -4.405004 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038681 tlogG= -0.624801 logG= -0.663482 Density= 3.417057 ETOT(band)= -1.568586 trlgG= -2.241342 logG= -0.663482 TDE= -4.403225 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038886 tlogG= -0.617209 logG= -0.656095 Density= 3.418801 ETOT(band)= -1.561358 trlgG= -2.226462 logG= -0.656095 TDE= -4.397173 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038870 tlogG= -0.616307 logG= -0.655177 Density= 3.418698 ETOT(band)= -1.560843 trlgG= -2.225261 logG= -0.655177 TDE= -4.396805 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038932 tlogG= -0.615790 logG= -0.654722 Density= 3.418833 ETOT(band)= -1.560238 trlgG= -2.224959 logG= -0.654722 TDE= -4.397070 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038649 tlogG= -0.624904 logG= -0.663553 Density= 3.416749 ETOT(band)= -1.568992 trlgG= -2.241802 logG= -0.663553 TDE= -4.403359 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038630 tlogG= -0.622400 logG= -0.661030 Density= 3.416826 ETOT(band)= -1.567183 trlgG= -2.236457 logG= -0.661030 TDE= -4.400601 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038699 tlogG= -0.622722 logG= -0.661421 Density= 3.417225 ETOT(band)= -1.566930 trlgG= -2.237111 logG= -0.661421 TDE= -4.401194 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038720 tlogG= -0.622468 logG= -0.661189 Density= 3.417880 ETOT(band)= -1.566305 trlgG= -2.234976 logG= -0.661189 TDE= -4.399833 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038748 tlogG= -0.620147 logG= -0.658894 Density= 3.418104 ETOT(band)= -1.564240 trlgG= -2.230293 logG= -0.658894 TDE= -4.397629 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038778 tlogG= -0.619962 logG= -0.658740 Density= 3.418172 ETOT(band)= -1.564131 trlgG= -2.230588 logG= -0.658740 TDE= -4.398135 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039008 tlogG= -0.611277 logG= -0.650285 Density= 3.419808 ETOT(band)= -1.555983 trlgG= -2.216461 logG= -0.650285 TDE= -4.393815 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038628 tlogG= -0.625274 logG= -0.663902 Density= 3.416997 ETOT(band)= -1.569094 trlgG= -2.241382 logG= -0.663902 TDE= -4.402795 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038494 tlogG= -0.625866 logG= -0.664359 Density= 3.416415 ETOT(band)= -1.570145 trlgG= -2.241532 logG= -0.664359 TDE= -4.402007 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039093 tlogG= -0.612920 logG= -0.652012 Density= 3.419942 ETOT(band)= -1.557019 trlgG= -2.220451 logG= -0.652012 TDE= -4.396189 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038647 tlogG= -0.623178 logG= -0.661825 Density= 3.417159 ETOT(band)= -1.567419 trlgG= -2.237195 logG= -0.661825 TDE= -4.400819 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038742 tlogG= -0.619706 logG= -0.658448 Density= 3.417559 ETOT(band)= -1.564425 trlgG= -2.231044 logG= -0.658448 TDE= -4.398375 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038951 tlogG= -0.614107 logG= -0.653057 Density= 3.419513 ETOT(band)= -1.558519 trlgG= -2.220629 logG= -0.653057 TDE= -4.394967 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038571 tlogG= -0.625404 logG= -0.663975 Density= 3.416574 ETOT(band)= -1.569597 trlgG= -2.241952 logG= -0.663975 TDE= -4.402942 logGD-logG0= -0.038889 tlogG= -0.617936 logG= -0.656824 Density= 3.419277 ETOT(band)= -1.561779 trlgG= -2.225937 logG= -0.656824 TDE= -4.396313 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038733 tlogG= -0.617903 logG= -0.656635 Density= 3.417873 ETOT(band)= -1.562895 trlgG= -2.227547 logG= -0.656635 TDE= -4.396951 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039021 tlogG= -0.613521 logG= -0.652542 Density= 3.419717 ETOT(band)= -1.557785 trlgG= -2.220884 logG= -0.652542 TDE= -4.395906 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039251 tlogG= -0.609767 logG= -0.649018 Density= 3.420867 ETOT(band)= -1.553735 trlgG= -2.215547 logG= -0.649018 TDE= -4.395044 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038885 tlogG= -0.617581 logG= -0.656466 Density= 3.419027 ETOT(band)= -1.561587 trlgG= -2.226361 logG= -0.656466 TDE= -4.396888 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038795 tlogG= -0.619546 logG= -0.658340 Density= 3.418064 ETOT(band)= -1.563790 trlgG= -2.230382 logG= -0.658340 TDE= -4.398239 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038575 tlogG= -0.622768 logG= -0.661344 Density= 3.416826 ETOT(band)= -1.567528 trlgG= -2.236359 logG= -0.661344 TDE= -4.400189 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038527 tlogG= -0.623090 logG= -0.661617 Density= 3.416838 ETOT(band)= -1.567812 trlgG= -2.236265 logG= -0.661617 TDE= -4.399832 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038596 tlogG= -0.620770 logG= -0.659366 Density= 3.417143 ETOT(band)= -1.565815 trlgG= -2.232088 logG= -0.659366 TDE= -4.398157 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038783 tlogG= -0.617496 logG= -0.656279 Density= 3.417880 ETOT(band)= -1.562501 trlgG= -2.227441 logG= -0.656279 TDE= -4.397207 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038709 tlogG= -0.622143 logG= -0.660853 Density= 3.417593 ETOT(band)= -1.566176 trlgG= -2.235294 logG= -0.660853 TDE= -4.400249 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038736 tlogG= -0.622750 logG= -0.661486 Density= 3.418205 ETOT(band)= -1.566361 trlgG= -2.234484 logG= -0.661486 TDE= -4.399312 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038690 tlogG= -0.620146 logG= -0.658836 Density= 3.417523 ETOT(band)= -1.564877 trlgG= -2.231438 logG= -0.658836 TDE= -4.398351 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039130 tlogG= -0.610559 logG= -0.649689 Density= 3.420326 ETOT(band)= -1.554909 trlgG= -2.216464 logG= -0.649689 TDE= -4.394842 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038801 tlogG= -0.620352 logG= -0.659153 Density= 3.418650 ETOT(band)= -1.564081 trlgG= -2.229983 logG= -0.659153 TDE= -4.397511 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038862 tlogG= -0.620549 logG= -0.659411 Density= 3.419247 ETOT(band)= -1.563882 trlgG= -2.229672 logG= -0.659411 TDE= -4.397436 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 Sum of eigenvalues= -1021.48237885513 eV TrLogG= -1457.79266097575 eV Ratio to renormalize= 0.999603431192 rho-rho_expected= 0.065063086525 nargs= 1 argi=dmft2.def 13) Finished k-point number 14 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 7) Finished k-point number 8 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 8) Finished k-point number 9 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 40) Finished k-point number 41 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 21) Finished k-point number 22 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 24) Finished k-point number 25 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800594314859251 0.802700424241984 0.802506509725317 0.800162965823880 0.803234118585172 0.802467838023736 0.800888484902846 0.802565059694449 0.802609755411965 0.800798899335533 0.802766133241986 0.802512501427420 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038679 tlogG= -0.626553 logG= -0.665232 Density= 3.416801 ETOT(band)= -1.570070 trlgG= -2.245093 logG= -0.665232 TDE= -4.405014 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038490 tlogG= -0.627703 logG= -0.666193 Density= 3.416255 ETOT(band)= -1.571575 trlgG= -2.245015 logG= -0.666193 TDE= -4.403524 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=126 logGD-logG0= -0.038781 tlogG= -0.619950 logG= -0.658731 Density= 3.418182 ETOT(band)= -1.564133 trlgG= -2.230582 logG= -0.658731 TDE= -4.398145 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038582 tlogG= -0.627147 logG= -0.665729 Density= 3.416510 ETOT(band)= -1.570855 trlgG= -2.245447 logG= -0.665729 TDE= -4.404630 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038817 tlogG= -0.616807 logG= -0.655623 Density= 3.418603 ETOT(band)= -1.561426 trlgG= -2.225136 logG= -0.655623 TDE= -4.396156 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038640 tlogG= -0.620534 logG= -0.659174 Density= 3.417512 ETOT(band)= -1.565273 trlgG= -2.231440 logG= -0.659174 TDE= -4.398007 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038863 tlogG= -0.614255 logG= -0.653118 Density= 3.418890 ETOT(band)= -1.559184 trlgG= -2.221259 logG= -0.653118 TDE= -4.395021 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038633 tlogG= -0.622388 logG= -0.661021 Density= 3.416836 ETOT(band)= -1.567185 trlgG= -2.236450 logG= -0.661021 TDE= -4.400612 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038653 tlogG= -0.624892 logG= -0.663544 Density= 3.416759 ETOT(band)= -1.568993 trlgG= -2.241795 logG= -0.663544 TDE= -4.403369 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038599 tlogG= -0.623606 logG= -0.662205 Density= 3.417143 ETOT(band)= -1.567866 trlgG= -2.237141 logG= -0.662205 TDE= -4.400371 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038739 tlogG= -0.622738 logG= -0.661477 Density= 3.418214 ETOT(band)= -1.566364 trlgG= -2.234476 logG= -0.661477 TDE= -4.399320 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.038584 tlogG= -0.625707 logG= -0.664291 Density= 3.416974 ETOT(band)= -1.569550 trlgG= -2.240828 logG= -0.664291 TDE= -4.401833 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039011 tlogG= -0.611265 logG= -0.650276 Density= 3.419818 ETOT(band)= -1.555984 trlgG= -2.216457 logG= -0.650276 TDE= -4.393828 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038702 tlogG= -0.622710 logG= -0.661412 Density= 3.417235 ETOT(band)= -1.566931 trlgG= -2.237104 logG= -0.661412 TDE= -4.401204 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038874 tlogG= -0.616295 logG= -0.655168 Density= 3.418708 ETOT(band)= -1.560845 trlgG= -2.225257 logG= -0.655168 TDE= -4.396818 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038650 tlogG= -0.623166 logG= -0.661816 Density= 3.417168 ETOT(band)= -1.567420 trlgG= -2.237188 logG= -0.661816 TDE= -4.400828 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038574 tlogG= -0.621002 logG= -0.659577 Density= 3.417314 ETOT(band)= -1.565923 trlgG= -2.232259 logG= -0.659577 TDE= -4.398259 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038950 tlogG= -0.613667 logG= -0.652618 Density= 3.419174 ETOT(band)= -1.558406 trlgG= -2.221450 logG= -0.652618 TDE= -4.395947 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038892 tlogG= -0.617924 logG= -0.656816 Density= 3.419286 ETOT(band)= -1.561782 trlgG= -2.225932 logG= -0.656816 TDE= -4.396324 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039096 tlogG= -0.612908 logG= -0.652003 Density= 3.419952 ETOT(band)= -1.557021 trlgG= -2.220446 logG= -0.652003 TDE= -4.396201 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038724 tlogG= -0.622456 logG= -0.661180 Density= 3.417889 ETOT(band)= -1.566307 trlgG= -2.234970 logG= -0.661180 TDE= -4.399843 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039255 tlogG= -0.609755 logG= -0.649009 Density= 3.420877 ETOT(band)= -1.553736 trlgG= -2.215542 logG= -0.649009 TDE= -4.395056 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038497 tlogG= -0.625853 logG= -0.664350 Density= 3.416425 ETOT(band)= -1.570146 trlgG= -2.241524 logG= -0.664350 TDE= -4.402015 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038632 tlogG= -0.620503 logG= -0.659135 Density= 3.417001 ETOT(band)= -1.565694 trlgG= -2.232052 logG= -0.659135 TDE= -4.398235 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038693 tlogG= -0.620135 logG= -0.658827 Density= 3.417533 ETOT(band)= -1.564879 trlgG= -2.231430 logG= -0.658827 TDE= -4.398361 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038683 tlogG= -0.618269 logG= -0.656952 Density= 3.417880 ETOT(band)= -1.563259 trlgG= -2.227346 logG= -0.656952 TDE= -4.396439 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038954 tlogG= -0.614095 logG= -0.653049 Density= 3.419522 ETOT(band)= -1.558521 trlgG= -2.220624 logG= -0.653049 TDE= -4.394979 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039024 tlogG= -0.613509 logG= -0.652533 Density= 3.419726 ETOT(band)= -1.557787 trlgG= -2.220880 logG= -0.652533 TDE= -4.395918 logGD-logG0= -0.038684 tlogG= -0.624789 logG= -0.663473 Density= 3.417067 ETOT(band)= -1.568588 trlgG= -2.241335 logG= -0.663473 TDE= -4.403235 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038798 tlogG= -0.619534 logG= -0.658332 Density= 3.418074 ETOT(band)= -1.563791 trlgG= -2.230375 logG= -0.658332 TDE= -4.398249 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038865 tlogG= -0.620537 logG= -0.659402 Density= 3.419256 ETOT(band)= -1.563885 trlgG= -2.229664 logG= -0.659402 TDE= -4.397445 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038631 tlogG= -0.625262 logG= -0.663893 Density= 3.417006 ETOT(band)= -1.569095 trlgG= -2.241375 logG= -0.663893 TDE= -4.402805 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039133 tlogG= -0.610547 logG= -0.649680 Density= 3.420336 ETOT(band)= -1.554911 trlgG= -2.216459 logG= -0.649680 TDE= -4.394855 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038935 tlogG= -0.615778 logG= -0.654714 Density= 3.418843 ETOT(band)= -1.560240 trlgG= -2.224954 logG= -0.654714 TDE= -4.397082 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038745 tlogG= -0.619694 logG= -0.658439 Density= 3.417568 ETOT(band)= -1.564427 trlgG= -2.231037 logG= -0.658439 TDE= -4.398385 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038713 tlogG= -0.622131 logG= -0.660844 Density= 3.417602 ETOT(band)= -1.566178 trlgG= -2.235287 logG= -0.660844 TDE= -4.400259 logGD-logG0= -0.038751 tlogG= -0.620135 logG= -0.658886 Density= 3.418114 ETOT(band)= -1.564242 trlgG= -2.230286 logG= -0.658886 TDE= -4.397638 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038736 tlogG= -0.617891 logG= -0.656627 Density= 3.417883 ETOT(band)= -1.562897 trlgG= -2.227542 logG= -0.656627 TDE= -4.396963 logGD-logG0= -0.038763 tlogG= -0.620326 logG= -0.659089 Density= 3.418321 ETOT(band)= -1.564409 trlgG= -2.230459 logG= -0.659089 TDE= -4.397781 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038579 tlogG= -0.622756 logG= -0.661335 Density= 3.416836 ETOT(band)= -1.567529 trlgG= -2.236352 logG= -0.661335 TDE= -4.400199 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038574 tlogG= -0.625392 logG= -0.663966 Density= 3.416583 ETOT(band)= -1.569598 trlgG= -2.241945 logG= -0.663966 TDE= -4.402952 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038786 tlogG= -0.617484 logG= -0.656270 Density= 3.417890 ETOT(band)= -1.562503 trlgG= -2.227436 logG= -0.656270 TDE= -4.397219 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038888 tlogG= -0.617569 logG= -0.656457 Density= 3.419036 ETOT(band)= -1.561590 trlgG= -2.226356 logG= -0.656457 TDE= -4.396899 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038889 tlogG= -0.617197 logG= -0.656086 Density= 3.418810 ETOT(band)= -1.561360 trlgG= -2.226457 logG= -0.656086 TDE= -4.397185 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038599 tlogG= -0.620758 logG= -0.659358 Density= 3.417152 ETOT(band)= -1.565817 trlgG= -2.232081 logG= -0.659358 TDE= -4.398166 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038804 tlogG= -0.620341 logG= -0.659145 Density= 3.418659 ETOT(band)= -1.564084 trlgG= -2.229976 logG= -0.659145 TDE= -4.397520 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038530 tlogG= -0.623078 logG= -0.661608 Density= 3.416848 ETOT(band)= -1.567814 trlgG= -2.236257 logG= -0.661608 TDE= -4.399840 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039039 tlogG= -0.613051 logG= -0.652090 Density= 3.419455 ETOT(band)= -1.557596 trlgG= -2.220938 logG= -0.652090 TDE= -4.396196 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1021.48358218751 eV TrLogG= -1457.79370667374 eV Ratio to renormalize= 0.999600617311 rho-rho_expected= 0.065524930457 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 17) Finished k-point number 18 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 107 12) Finished k-point number 13 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 43) Finished k-point number 44 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800600182487827 0.802704506392734 0.802512288898397 0.800168867942394 0.803238239159557 0.802473523396599 0.800894326414186 0.802569158864953 0.802615515473931 0.800804764738763 0.802770236111939 0.802518231182090 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038684 tlogG= -0.618265 logG= -0.656949 Density= 3.417883 ETOT(band)= -1.563262 trlgG= -2.227346 logG= -0.656949 TDE= -4.396445 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038680 tlogG= -0.626548 logG= -0.665229 Density= 3.416804 ETOT(band)= -1.570073 trlgG= -2.245093 logG= -0.665229 TDE= -4.405020 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038740 tlogG= -0.622734 logG= -0.661474 Density= 3.418217 ETOT(band)= -1.566367 trlgG= -2.234476 logG= -0.661474 TDE= -4.399326 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.038491 tlogG= -0.627699 logG= -0.666190 Density= 3.416259 ETOT(band)= -1.571577 trlgG= -2.245015 logG= -0.666190 TDE= -4.403530 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038952 tlogG= -0.613663 logG= -0.652615 Density= 3.419177 ETOT(band)= -1.558409 trlgG= -2.221451 logG= -0.652615 TDE= -4.395953 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038633 tlogG= -0.620499 logG= -0.659132 Density= 3.417005 ETOT(band)= -1.565697 trlgG= -2.232051 logG= -0.659132 TDE= -4.398240 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038764 tlogG= -0.620322 logG= -0.659086 Density= 3.418325 ETOT(band)= -1.564412 trlgG= -2.230459 logG= -0.659086 TDE= -4.397786 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038583 tlogG= -0.627143 logG= -0.665726 Density= 3.416514 ETOT(band)= -1.570858 trlgG= -2.245447 logG= -0.665726 TDE= -4.404636 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038936 tlogG= -0.615774 logG= -0.654711 Density= 3.418847 ETOT(band)= -1.560243 trlgG= -2.224955 logG= -0.654711 TDE= -4.397089 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038576 tlogG= -0.620998 logG= -0.659574 Density= 3.417317 ETOT(band)= -1.565926 trlgG= -2.232259 logG= -0.659574 TDE= -4.398265 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038782 tlogG= -0.619946 logG= -0.658728 Density= 3.418185 ETOT(band)= -1.564136 trlgG= -2.230582 logG= -0.658728 TDE= -4.398151 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038725 tlogG= -0.622452 logG= -0.661177 Density= 3.417892 ETOT(band)= -1.566310 trlgG= -2.234970 logG= -0.661177 TDE= -4.399849 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038703 tlogG= -0.622706 logG= -0.661409 Density= 3.417239 ETOT(band)= -1.566934 trlgG= -2.237104 logG= -0.661409 TDE= -4.401210 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038601 tlogG= -0.623602 logG= -0.662202 Density= 3.417146 ETOT(band)= -1.567869 trlgG= -2.237141 logG= -0.662202 TDE= -4.400376 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038641 tlogG= -0.620530 logG= -0.659171 Density= 3.417515 ETOT(band)= -1.565276 trlgG= -2.231440 logG= -0.659171 TDE= -4.398013 logGD-logG0= -0.038737 tlogG= -0.617887 logG= -0.656624 Density= 3.417886 ETOT(band)= -1.562900 trlgG= -2.227543 logG= -0.656624 TDE= -4.396969 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038498 tlogG= -0.625849 logG= -0.664347 Density= 3.416428 ETOT(band)= -1.570149 trlgG= -2.241523 logG= -0.664347 TDE= -4.402021 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038634 tlogG= -0.622384 logG= -0.661018 Density= 3.416839 ETOT(band)= -1.567188 trlgG= -2.236451 logG= -0.661018 TDE= -4.400618 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038805 tlogG= -0.620337 logG= -0.659142 Density= 3.418662 ETOT(band)= -1.564087 trlgG= -2.229976 logG= -0.659142 TDE= -4.397526 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038746 tlogG= -0.619690 logG= -0.658436 Density= 3.417572 ETOT(band)= -1.564430 trlgG= -2.231037 logG= -0.658436 TDE= -4.398391 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039013 tlogG= -0.611261 logG= -0.650274 Density= 3.419822 ETOT(band)= -1.555987 trlgG= -2.216458 logG= -0.650274 TDE= -4.393835 logGD-logG0= -0.038875 tlogG= -0.616291 logG= -0.655165 Density= 3.418711 ETOT(band)= -1.560848 trlgG= -2.225258 logG= -0.655165 TDE= -4.396824 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038890 tlogG= -0.617193 logG= -0.656083 Density= 3.418814 ETOT(band)= -1.561362 trlgG= -2.226458 logG= -0.656083 TDE= -4.397191 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038654 tlogG= -0.624887 logG= -0.663541 Density= 3.416762 ETOT(band)= -1.568996 trlgG= -2.241795 logG= -0.663541 TDE= -4.403375 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038714 tlogG= -0.622127 logG= -0.660841 Density= 3.417606 ETOT(band)= -1.566181 trlgG= -2.235287 logG= -0.660841 TDE= -4.400265 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038889 tlogG= -0.617565 logG= -0.656454 Density= 3.419039 ETOT(band)= -1.561593 trlgG= -2.226356 logG= -0.656454 TDE= -4.396906 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038694 tlogG= -0.620131 logG= -0.658824 Density= 3.417536 ETOT(band)= -1.564882 trlgG= -2.231430 logG= -0.658824 TDE= -4.398367 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038864 tlogG= -0.614251 logG= -0.653115 Density= 3.418893 ETOT(band)= -1.559187 trlgG= -2.221259 logG= -0.653115 TDE= -4.395027 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038585 tlogG= -0.625703 logG= -0.664288 Density= 3.416978 ETOT(band)= -1.569553 trlgG= -2.240828 logG= -0.664288 TDE= -4.401839 logGD-logG0= -0.038752 tlogG= -0.620131 logG= -0.658883 Density= 3.418117 ETOT(band)= -1.564245 trlgG= -2.230286 logG= -0.658883 TDE= -4.397644 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038818 tlogG= -0.616803 logG= -0.655620 Density= 3.418607 ETOT(band)= -1.561429 trlgG= -2.225136 logG= -0.655620 TDE= -4.396162 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038632 tlogG= -0.625258 logG= -0.663890 Density= 3.417010 ETOT(band)= -1.569098 trlgG= -2.241375 logG= -0.663890 TDE= -4.402811 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038685 tlogG= -0.624785 logG= -0.663470 Density= 3.417070 ETOT(band)= -1.568591 trlgG= -2.241335 logG= -0.663470 TDE= -4.403241 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038600 tlogG= -0.620754 logG= -0.659355 Density= 3.417156 ETOT(band)= -1.565820 trlgG= -2.232081 logG= -0.659355 TDE= -4.398172 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038799 tlogG= -0.619530 logG= -0.658329 Density= 3.418077 ETOT(band)= -1.563794 trlgG= -2.230376 logG= -0.658329 TDE= -4.398255 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038575 tlogG= -0.625388 logG= -0.663963 Density= 3.416587 ETOT(band)= -1.569601 trlgG= -2.241945 logG= -0.663963 TDE= -4.402958 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038580 tlogG= -0.622752 logG= -0.661332 Density= 3.416839 ETOT(band)= -1.567532 trlgG= -2.236352 logG= -0.661332 TDE= -4.400205 logGD-logG0= -0.039134 tlogG= -0.610543 logG= -0.649677 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Density= 3.420339 ETOT(band)= -1.554914 trlgG= -2.216460 logG= -0.649677 TDE= -4.394861 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039097 tlogG= -0.612904 logG= -0.652000 Density= 3.419956 ETOT(band)= -1.557024 trlgG= -2.220447 logG= -0.652000 TDE= -4.396208 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.039256 tlogG= -0.609751 logG= -0.649006 Density= 3.420881 ETOT(band)= -1.553739 trlgG= -2.215543 logG= -0.649006 TDE= -4.395063 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038787 tlogG= -0.617480 logG= -0.656267 Density= 3.417893 ETOT(band)= -1.562505 trlgG= -2.227436 logG= -0.656267 TDE= -4.397225 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038866 tlogG= -0.620533 logG= -0.659399 Density= 3.419259 ETOT(band)= -1.563888 trlgG= -2.229664 logG= -0.659399 TDE= -4.397450 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038651 tlogG= -0.623162 logG= -0.661813 Density= 3.417172 ETOT(band)= -1.567423 trlgG= -2.237188 logG= -0.661813 TDE= -4.400834 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039025 tlogG= -0.613505 logG= -0.652530 Density= 3.419730 ETOT(band)= -1.557790 trlgG= -2.220881 logG= -0.652530 TDE= -4.395925 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038955 tlogG= -0.614091 logG= -0.653046 Density= 3.419526 ETOT(band)= -1.558524 trlgG= -2.220625 logG= -0.653046 TDE= -4.394985 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039040 tlogG= -0.613047 logG= -0.652087 Density= 3.419459 ETOT(band)= -1.557599 trlgG= -2.220939 logG= -0.652087 TDE= -4.396203 logGD-logG0= -0.038531 tlogG= -0.623074 logG= -0.661605 Density= 3.416851 ETOT(band)= -1.567817 trlgG= -2.236256 logG= -0.661605 TDE= -4.399845 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038893 tlogG= -0.617920 logG= -0.656813 Density= 3.419289 ETOT(band)= -1.561785 trlgG= -2.225932 logG= -0.656813 TDE= -4.396329 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 Sum of eigenvalues= -1021.48550992283 eV TrLogG= -1457.79567388085 eV Ratio to renormalize= 0.999599616697 rho-rho_expected= 0.065689162456 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 17) Finished k-point number 18 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 16) Finished k-point number 17 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 39) Finished k-point number 40 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 20) Finished k-point number 21 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800601589002141 0.802705349795825 0.802513617266477 0.800170284928974 0.803239080484922 0.802474837474978 0.800895731885012 0.802570000561528 0.802616838014454 0.800806171170483 0.802771075065269 0.802519558745643 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038910 tlogG= -0.626547 logG= -0.665456 Density= 3.417247 ETOT(band)= -1.569679 trlgG= -2.244956 logG= -0.665456 TDE= -4.405022 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038994 tlogG= -0.620320 logG= -0.659314 Density= 3.418762 ETOT(band)= -1.564026 trlgG= -2.230328 logG= -0.659314 TDE= -4.397788 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038982 tlogG= -0.620129 logG= -0.659111 Density= 3.418554 ETOT(band)= -1.563859 trlgG= -2.230155 logG= -0.659111 TDE= -4.397646 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038863 tlogG= -0.620498 logG= -0.659360 Density= 3.417449 ETOT(band)= -1.565304 trlgG= -2.231914 logG= -0.659360 TDE= -4.398242 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038722 tlogG= -0.627697 logG= -0.666418 Density= 3.416711 ETOT(band)= -1.571178 trlgG= -2.244871 logG= -0.666418 TDE= -4.403532 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.038967 tlogG= -0.617885 logG= -0.656851 Density= 3.418320 ETOT(band)= -1.562516 trlgG= -2.227414 logG= -0.656851 TDE= -4.396971 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039104 tlogG= -0.616289 logG= -0.655393 Density= 3.419134 ETOT(band)= -1.560472 trlgG= -2.225137 logG= -0.655393 TDE= -4.396826 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039047 tlogG= -0.616801 logG= -0.655848 Density= 3.419034 ETOT(band)= -1.561051 trlgG= -2.225013 logG= -0.655848 TDE= -4.396164 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038944 tlogG= -0.622125 logG= -0.661069 Density= 3.418046 ETOT(band)= -1.565792 trlgG= -2.235153 logG= -0.661069 TDE= -4.400267 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038955 tlogG= -0.622450 logG= -0.661405 Density= 3.418334 ETOT(band)= -1.565920 trlgG= -2.234835 logG= -0.661405 TDE= -4.399850 logGD-logG0= -0.039012 tlogG= -0.619944 logG= -0.658956 Density= 3.418620 ETOT(band)= -1.563751 trlgG= -2.230452 logG= -0.658956 TDE= -4.398153 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038971 tlogG= -0.622732 logG= -0.661703 Density= 3.418660 ETOT(band)= -1.565976 trlgG= -2.234340 logG= -0.661703 TDE= -4.399328 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038831 tlogG= -0.623600 logG= -0.662431 Density= 3.417593 ETOT(band)= -1.567474 trlgG= -2.237002 logG= -0.662431 TDE= -4.400378 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038883 tlogG= -0.624886 logG= -0.663769 Density= 3.417207 ETOT(band)= -1.568601 trlgG= -2.241657 logG= -0.663769 TDE= -4.403377 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039097 tlogG= -0.620532 logG= -0.659628 Density= 3.419696 ETOT(band)= -1.563503 trlgG= -2.229533 logG= -0.659628 TDE= -4.397452 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.039240 tlogG= -0.611259 logG= -0.650499 Density= 3.420223 ETOT(band)= -1.555629 trlgG= -2.216354 logG= -0.650499 TDE= -4.393837 logGD-logG0= -0.038813 tlogG= -0.627141 logG= -0.665954 Density= 3.416962 ETOT(band)= -1.570461 trlgG= -2.245306 logG= -0.665954 TDE= -4.404638 logGD-logG0= -0.038806 tlogG= -0.620996 logG= -0.659802 Density= 3.417762 ETOT(band)= -1.565533 trlgG= -2.232121 logG= -0.659802 TDE= -4.398266 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038816 tlogG= -0.625701 logG= -0.664517 Density= 3.417427 ETOT(band)= -1.569156 trlgG= -2.240687 logG= -0.664517 TDE= -4.401840 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038864 tlogG= -0.622382 logG= -0.661246 Density= 3.417285 ETOT(band)= -1.566794 trlgG= -2.236312 logG= -0.661246 TDE= -4.400620 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038914 tlogG= -0.618263 logG= -0.657177 Density= 3.418319 ETOT(band)= -1.562877 trlgG= -2.227216 logG= -0.657177 TDE= -4.396447 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039184 tlogG= -0.614089 logG= -0.653273 Density= 3.419939 ETOT(band)= -1.558155 trlgG= -2.220512 logG= -0.653273 TDE= -4.394987 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039120 tlogG= -0.617191 logG= -0.656311 Density= 3.419238 ETOT(band)= -1.560986 trlgG= -2.226336 logG= -0.656311 TDE= -4.397193 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039029 tlogG= -0.619528 logG= -0.658556 Density= 3.418510 ETOT(band)= -1.563411 trlgG= -2.230248 logG= -0.658556 TDE= -4.398257 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039362 tlogG= -0.610541 logG= -0.649903 Density= 3.420733 ETOT(band)= -1.554560 trlgG= -2.216362 logG= -0.649903 TDE= -4.394863 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038976 tlogG= -0.619688 logG= -0.658664 Density= 3.418008 ETOT(band)= -1.564043 trlgG= -2.230905 logG= -0.658664 TDE= -4.398393 logGD-logG0= -0.038881 tlogG= -0.623160 logG= -0.662041 Density= 3.417616 ETOT(band)= -1.567031 trlgG= -2.237051 logG= -0.662041 TDE= -4.400836 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.039093 tlogG= -0.614249 logG= -0.653342 Density= 3.419311 ETOT(band)= -1.558815 trlgG= -2.221142 logG= -0.653342 TDE= -4.395029 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038924 tlogG= -0.620129 logG= -0.659052 Density= 3.417975 ETOT(band)= -1.564494 trlgG= -2.231297 logG= -0.659052 TDE= -4.398368 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039268 tlogG= -0.613045 logG= -0.652313 Density= 3.419868 ETOT(band)= -1.557234 trlgG= -2.220829 logG= -0.652313 TDE= -4.396205 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039165 tlogG= -0.615772 logG= -0.654937 Density= 3.419266 ETOT(band)= -1.559869 trlgG= -2.224837 logG= -0.654937 TDE= -4.397091 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=118 logGD-logG0= -0.038761 tlogG= -0.623072 logG= -0.661834 Density= 3.417300 ETOT(band)= -1.567421 trlgG= -2.236116 logG= -0.661834 TDE= -4.399847 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038915 tlogG= -0.624783 logG= -0.663698 Density= 3.417513 ETOT(band)= -1.568198 trlgG= -2.241199 logG= -0.663698 TDE= -4.403243 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039119 tlogG= -0.617563 logG= -0.656682 logGD-logG0= -0.038831 tlogG= -0.620752 logG= -0.659583 Density= 3.419466 ETOT(band)= -1.561215 trlgG= -2.226233 logG= -0.656682 TDE= -4.396908 Density= 3.417601 ETOT(band)= -1.565428 trlgG= -2.231943 logG= -0.659583 TDE= -4.398174 logGD-logG0= -0.038871 tlogG= -0.620528 logG= -0.659399 Density= 3.417956 ETOT(band)= -1.564886 trlgG= -2.231305 logG= -0.659399 TDE= -4.398014 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039253 tlogG= -0.613503 logG= -0.652757 Density= 3.420138 ETOT(band)= -1.557426 trlgG= -2.220771 logG= -0.652757 TDE= -4.395927 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039180 tlogG= -0.613661 logG= -0.652841 Density= 3.419591 ETOT(band)= -1.558040 trlgG= -2.221337 logG= -0.652841 TDE= -4.395955 logGD-logG0= -0.038862 tlogG= -0.625256 logG= -0.664118 Density= 3.417456 ETOT(band)= -1.568703 trlgG= -2.241236 logG= -0.664118 TDE= -4.402813 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038810 tlogG= -0.622750 logG= -0.661560 Density= 3.417287 ETOT(band)= -1.567137 trlgG= -2.236212 logG= -0.661560 TDE= -4.400207 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039016 tlogG= -0.617478 logG= -0.656495 Density= 3.418325 ETOT(band)= -1.562123 trlgG= -2.227308 logG= -0.656495 TDE= -4.397227 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039483 tlogG= -0.609749 logG= -0.649231 Density= 3.421267 ETOT(band)= -1.553391 trlgG= -2.215451 logG= -0.649231 TDE= -4.395065 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.039325 tlogG= -0.612902 logG= -0.652227 Density= 3.420359 ETOT(band)= -1.556663 trlgG= -2.220342 logG= -0.652227 TDE= -4.396210 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.039036 tlogG= -0.620335 logG= -0.659370 Density= 3.419099 ETOT(band)= -1.563701 trlgG= -2.229845 logG= -0.659370 TDE= -4.397528 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038933 tlogG= -0.622704 logG= -0.661637 Density= 3.417679 ETOT(band)= -1.566543 trlgG= -2.236969 logG= -0.661637 TDE= -4.401212 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039123 tlogG= -0.617918 logG= -0.657041 Density= 3.419718 ETOT(band)= -1.561406 trlgG= -2.225807 logG= -0.657041 TDE= -4.396331 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038728 tlogG= -0.625847 logG= -0.664576 Density= 3.416880 ETOT(band)= -1.569750 trlgG= -2.241380 logG= -0.664576 TDE= -4.402023 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038805 tlogG= -0.625386 logG= -0.664191 Density= 3.417035 ETOT(band)= -1.569205 trlgG= -2.241804 logG= -0.664191 TDE= -4.402960 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 Sum of eigenvalues= -1021.23492142709 eV TrLogG= -1457.94565243774 eV Ratio to renormalize= 0.999472964947 rho-rho_expected= 0.086479326392 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 9) Finished k-point number 10 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 33) Finished k-point number 34 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 24) Finished k-point number 25 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800599629036407 0.802704176141443 0.802511768624402 0.800168311152491 0.803237902558336 0.802473013942048 0.800893775294972 0.802568825477996 0.802614997372058 0.800804209099595 0.802769901102535 0.802517718449487 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038831 tlogG= -0.623602 logG= -0.662433 Density= 3.417591 ETOT(band)= -1.567472 trlgG= -2.237001 logG= -0.662433 TDE= -4.400375 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038815 tlogG= -0.625703 logG= -0.664519 Density= 3.417426 ETOT(band)= -1.569154 trlgG= -2.240686 logG= -0.664519 TDE= -4.401837 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039028 tlogG= -0.619530 logG= -0.658558 Density= 3.418509 ETOT(band)= -1.563409 trlgG= -2.230247 logG= -0.658558 TDE= -4.398254 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038909 tlogG= -0.626548 logG= -0.665458 Density= 3.417246 ETOT(band)= -1.569677 trlgG= -2.244956 logG= -0.665458 TDE= -4.405019 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038806 tlogG= -0.620998 logG= -0.659804 Density= 3.417761 ETOT(band)= -1.565531 trlgG= -2.232120 logG= -0.659804 TDE= -4.398263 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038863 tlogG= -0.620499 logG= -0.659362 Density= 3.417448 ETOT(band)= -1.565302 trlgG= -2.231913 logG= -0.659362 TDE= -4.398239 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039103 tlogG= -0.616291 logG= -0.655394 Density= 3.419133 ETOT(band)= -1.560470 trlgG= -2.225136 logG= -0.655394 TDE= -4.396823 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038955 tlogG= -0.622452 logG= -0.661407 Density= 3.418333 ETOT(band)= -1.565918 trlgG= -2.234834 logG= -0.661407 TDE= -4.399847 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039180 tlogG= -0.613663 logG= -0.652843 Density= 3.419589 ETOT(band)= -1.558038 trlgG= -2.221337 logG= -0.652843 TDE= -4.395952 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038721 tlogG= -0.627699 logG= -0.666420 Density= 3.416710 ETOT(band)= -1.571176 trlgG= -2.244871 logG= -0.666420 TDE= -4.403529 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.038813 tlogG= -0.627143 logG= -0.665956 Density= 3.416960 ETOT(band)= -1.570459 trlgG= -2.245306 logG= -0.665956 TDE= -4.404635 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038871 tlogG= -0.620530 logG= -0.659401 Density= 3.417955 ETOT(band)= -1.564884 trlgG= -2.231305 logG= -0.659401 TDE= -4.398011 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038883 tlogG= -0.624887 logG= -0.663771 Density= 3.417206 ETOT(band)= -1.568599 trlgG= -2.241656 logG= -0.663771 TDE= -4.403374 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039122 tlogG= -0.617920 logG= -0.657042 Density= 3.419717 ETOT(band)= -1.561404 trlgG= -2.225807 logG= -0.657042 TDE= -4.396328 logGD-logG0= -0.038881 tlogG= -0.623162 logG= -0.662043 Density= 3.417614 ETOT(band)= -1.567029 trlgG= -2.237050 logG= -0.662043 TDE= -4.400833 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038933 tlogG= -0.622706 logG= -0.661638 Density= 3.417678 ETOT(band)= -1.566541 trlgG= -2.236969 logG= -0.661638 TDE= -4.401208 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038862 tlogG= -0.625258 logG= -0.664120 Density= 3.417455 ETOT(band)= -1.568701 trlgG= -2.241236 logG= -0.664120 TDE= -4.402810 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039240 tlogG= -0.611261 logG= -0.650501 Density= 3.420221 ETOT(band)= -1.555626 trlgG= -2.216353 logG= -0.650501 TDE= -4.393833 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038970 tlogG= -0.622734 logG= -0.661704 Density= 3.418659 ETOT(band)= -1.565974 trlgG= -2.234340 logG= -0.661704 TDE= -4.399325 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039362 tlogG= -0.610543 logG= -0.649904 Density= 3.420732 ETOT(band)= -1.554558 trlgG= -2.216361 logG= -0.649904 TDE= -4.394860 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038913 tlogG= -0.618265 logG= -0.657179 Density= 3.418318 ETOT(band)= -1.562875 trlgG= -2.227215 logG= -0.657179 TDE= -4.396444 logGD-logG0= -0.039047 tlogG= -0.616803 logG= -0.655849 Density= 3.419032 ETOT(band)= -1.561049 trlgG= -2.225012 logG= -0.655849 TDE= -4.396161 logGD-logG0= -0.039093 tlogG= -0.614250 logG= -0.653343 Density= 3.419310 ETOT(band)= -1.558813 trlgG= -2.221142 logG= -0.653343 TDE= -4.395026 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039012 tlogG= -0.619946 logG= -0.658957 Density= 3.418619 ETOT(band)= -1.563749 trlgG= -2.230451 logG= -0.658957 TDE= -4.398150 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039268 tlogG= -0.613047 logG= -0.652315 Density= 3.419867 ETOT(band)= -1.557232 trlgG= -2.220828 logG= -0.652315 TDE= -4.396202 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039118 tlogG= -0.617565 logG= -0.656684 Density= 3.419465 ETOT(band)= -1.561213 trlgG= -2.226233 logG= -0.656684 TDE= -4.396904 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039253 tlogG= -0.613505 logG= -0.652758 Density= 3.420137 ETOT(band)= -1.557423 trlgG= -2.220770 logG= -0.652758 TDE= -4.395924 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038864 tlogG= -0.622383 logG= -0.661247 Density= 3.417284 ETOT(band)= -1.566791 trlgG= -2.236311 logG= -0.661247 TDE= -4.400616 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038805 tlogG= -0.625388 logG= -0.664192 Density= 3.417034 ETOT(band)= -1.569203 trlgG= -2.241803 logG= -0.664192 TDE= -4.402957 logGD-logG0= -0.038915 tlogG= -0.624785 logG= -0.663699 Density= 3.417512 ETOT(band)= -1.568196 trlgG= -2.241198 logG= -0.663699 TDE= -4.403240 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038943 tlogG= -0.622127 logG= -0.661070 Density= 3.418045 ETOT(band)= -1.565790 trlgG= -2.235153 logG= -0.661070 TDE= -4.400264 logGD-logG0= -0.038809 tlogG= -0.622752 logG= -0.661562 Density= 3.417285 ETOT(band)= -1.567135 trlgG= -2.236212 logG= -0.661562 TDE= -4.400204 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039165 tlogG= -0.615774 logG= -0.654939 Density= 3.419265 ETOT(band)= -1.559867 trlgG= -2.224836 logG= -0.654939 TDE= -4.397087 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=118 logGD-logG0= -0.038728 tlogG= -0.625849 logG= -0.664577 Density= 3.416879 ETOT(band)= -1.569748 trlgG= -2.241380 logG= -0.664577 TDE= -4.402020 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038830 tlogG= -0.620754 logG= -0.659585 Density= 3.417599 ETOT(band)= -1.565426 trlgG= -2.231942 logG= -0.659585 TDE= -4.398171 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039184 tlogG= -0.614091 logG= -0.653274 Density= 3.419938 ETOT(band)= -1.558153 trlgG= -2.220511 logG= -0.653274 TDE= -4.394984 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039482 tlogG= -0.609750 logG= -0.649233 Density= 3.421266 ETOT(band)= -1.553389 trlgG= -2.215450 logG= -0.649233 TDE= -4.395062 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038994 tlogG= -0.620322 logG= -0.659316 Density= 3.418761 ETOT(band)= -1.564024 trlgG= -2.230327 logG= -0.659316 TDE= -4.397785 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038975 tlogG= -0.619690 logG= -0.658666 Density= 3.418007 ETOT(band)= -1.564041 trlgG= -2.230905 logG= -0.658666 TDE= -4.398390 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038923 tlogG= -0.620130 logG= -0.659054 Density= 3.417974 ETOT(band)= -1.564492 trlgG= -2.231297 logG= -0.659054 TDE= -4.398365 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039325 tlogG= -0.612904 logG= -0.652228 Density= 3.420358 ETOT(band)= -1.556661 trlgG= -2.220341 logG= -0.652228 TDE= -4.396207 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038966 tlogG= -0.617887 logG= -0.656853 Density= 3.418319 ETOT(band)= -1.562514 trlgG= -2.227413 logG= -0.656853 TDE= -4.396968 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039035 tlogG= -0.620337 logG= -0.659372 Density= 3.419098 ETOT(band)= -1.563699 trlgG= -2.229844 logG= -0.659372 TDE= -4.397525 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039096 tlogG= -0.620533 logG= -0.659630 Density= 3.419695 ETOT(band)= -1.563501 trlgG= -2.229532 logG= -0.659630 TDE= -4.397449 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.039119 tlogG= -0.617193 logG= -0.656312 Density= 3.419236 ETOT(band)= -1.560984 trlgG= -2.226336 logG= -0.656312 TDE= -4.397190 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038761 tlogG= -0.623074 logG= -0.661835 Density= 3.417299 ETOT(band)= -1.567419 trlgG= -2.236115 logG= -0.661835 TDE= -4.399844 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038982 tlogG= -0.620131 logG= -0.659113 Density= 3.418552 ETOT(band)= -1.563857 trlgG= -2.230154 logG= -0.659113 TDE= -4.397643 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039016 tlogG= -0.617480 logG= -0.656496 Density= 3.418324 ETOT(band)= -1.562121 trlgG= -2.227308 logG= -0.656496 TDE= -4.397224 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1021.23357283152 eV TrLogG= -1457.94462684897 eV Ratio to renormalize= 0.999473305845 rho-rho_expected= 0.086423360045 nargs= 1 argi=dmft2.def 43) Finished k-point number 44 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 5) Finished k-point number 6 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 15) Finished k-point number 16 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 24) Finished k-point number 25 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 25) Finished k-point number 26 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 39) Finished k-point number 40 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 3) Finished k-point number 4 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800600184485551 0.802704402491866 0.802512328405178 0.800168871405122 0.803238136530261 0.802473558073629 0.800894329299754 0.802569049614703 0.802615554382544 0.800804767462465 0.802770136205610 0.802518263883484 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038864 tlogG= -0.622383 logG= -0.661247 Density= 3.417284 ETOT(band)= -1.566792 trlgG= -2.236311 logG= -0.661247 TDE= -4.400617 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038721 tlogG= -0.627698 logG= -0.666420 Density= 3.416711 ETOT(band)= -1.571176 trlgG= -2.244871 logG= -0.666420 TDE= -4.403529 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.038831 tlogG= -0.620754 logG= -0.659584 Density= 3.417600 ETOT(band)= -1.565426 trlgG= -2.231942 logG= -0.659584 TDE= -4.398172 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038871 tlogG= -0.620529 logG= -0.659400 Density= 3.417955 ETOT(band)= -1.564885 trlgG= -2.231305 logG= -0.659400 TDE= -4.398012 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039253 tlogG= -0.613505 logG= -0.652758 Density= 3.420138 ETOT(band)= -1.557424 trlgG= -2.220771 logG= -0.652758 TDE= -4.395925 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039180 tlogG= -0.613663 logG= -0.652843 Density= 3.419590 ETOT(band)= -1.558038 trlgG= -2.221337 logG= -0.652843 TDE= -4.395953 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039165 tlogG= -0.615774 logG= -0.654939 Density= 3.419265 ETOT(band)= -1.559868 trlgG= -2.224836 logG= -0.654939 TDE= -4.397088 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=118 logGD-logG0= -0.038806 tlogG= -0.620998 logG= -0.659804 Density= 3.417762 ETOT(band)= -1.565532 trlgG= -2.232121 logG= -0.659804 TDE= -4.398264 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038883 tlogG= -0.624887 logG= -0.663770 Density= 3.417207 ETOT(band)= -1.568600 trlgG= -2.241656 logG= -0.663770 TDE= -4.403374 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039104 tlogG= -0.616290 logG= -0.655394 Density= 3.419134 ETOT(band)= -1.560470 trlgG= -2.225136 logG= -0.655394 TDE= -4.396824 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038863 tlogG= -0.620499 logG= -0.659362 Density= 3.417449 ETOT(band)= -1.565303 trlgG= -2.231913 logG= -0.659362 TDE= -4.398240 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038813 tlogG= -0.627142 logG= -0.665955 Density= 3.416961 ETOT(band)= -1.570459 trlgG= -2.245306 logG= -0.665955 TDE= -4.404636 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038862 tlogG= -0.625257 logG= -0.664119 Density= 3.417455 ETOT(band)= -1.568702 trlgG= -2.241236 logG= -0.664119 TDE= -4.402810 logGD-logG0= -0.039012 tlogG= -0.619945 logG= -0.658957 Density= 3.418619 ETOT(band)= -1.563749 trlgG= -2.230451 logG= -0.658957 TDE= -4.398151 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038910 tlogG= -0.626548 logG= -0.665458 Density= 3.417246 ETOT(band)= -1.569678 trlgG= -2.244956 logG= -0.665458 TDE= -4.405019 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038810 tlogG= -0.622752 logG= -0.661561 Density= 3.417286 ETOT(band)= -1.567135 trlgG= -2.236212 logG= -0.661561 TDE= -4.400204 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038970 tlogG= -0.622734 logG= -0.661704 Density= 3.418660 ETOT(band)= -1.565974 trlgG= -2.234340 logG= -0.661704 TDE= -4.399325 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038805 tlogG= -0.625387 logG= -0.664192 Density= 3.417035 ETOT(band)= -1.569203 trlgG= -2.241803 logG= -0.664192 TDE= -4.402957 logGD-logG0= -0.039016 tlogG= -0.617480 logG= -0.656496 Density= 3.418324 ETOT(band)= -1.562121 trlgG= -2.227308 logG= -0.656496 TDE= -4.397225 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039119 tlogG= -0.617193 logG= -0.656312 Density= 3.419237 ETOT(band)= -1.560985 trlgG= -2.226336 logG= -0.656312 TDE= -4.397191 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038976 tlogG= -0.619690 logG= -0.658665 Density= 3.418008 ETOT(band)= -1.564041 trlgG= -2.230905 logG= -0.658665 TDE= -4.398391 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038816 tlogG= -0.625703 logG= -0.664518 Density= 3.417426 ETOT(band)= -1.569155 trlgG= -2.240686 logG= -0.664518 TDE= -4.401838 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038881 tlogG= -0.623162 logG= -0.662042 Density= 3.417615 ETOT(band)= -1.567029 trlgG= -2.237050 logG= -0.662042 TDE= -4.400834 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038994 tlogG= -0.620322 logG= -0.659315 Density= 3.418761 ETOT(band)= -1.564024 trlgG= -2.230328 logG= -0.659315 TDE= -4.397786 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038955 tlogG= -0.622452 logG= -0.661407 Density= 3.418333 ETOT(band)= -1.565918 trlgG= -2.234835 logG= -0.661407 TDE= -4.399848 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039047 tlogG= -0.616802 logG= -0.655849 Density= 3.419033 ETOT(band)= -1.561049 trlgG= -2.225012 logG= -0.655849 TDE= -4.396161 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039184 tlogG= -0.614090 logG= -0.653274 Density= 3.419939 ETOT(band)= -1.558154 trlgG= -2.220511 logG= -0.653274 TDE= -4.394985 logGD-logG0= -0.038831 tlogG= -0.623602 logG= -0.662432 Density= 3.417592 ETOT(band)= -1.567473 trlgG= -2.237001 logG= -0.662432 TDE= -4.400376 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038944 tlogG= -0.622127 logG= -0.661070 Density= 3.418045 ETOT(band)= -1.565790 trlgG= -2.235153 logG= -0.661070 TDE= -4.400265 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038982 tlogG= -0.620130 logG= -0.659112 Density= 3.418553 ETOT(band)= -1.563857 trlgG= -2.230154 logG= -0.659112 TDE= -4.397644 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038914 tlogG= -0.618265 logG= -0.657178 Density= 3.418318 ETOT(band)= -1.562876 trlgG= -2.227215 logG= -0.657178 TDE= -4.396444 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039482 tlogG= -0.609750 logG= -0.649233 Density= 3.421266 ETOT(band)= -1.553390 trlgG= -2.215450 logG= -0.649233 TDE= -4.395063 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.039268 tlogG= -0.613047 logG= -0.652314 Density= 3.419867 ETOT(band)= -1.557232 trlgG= -2.220829 logG= -0.652314 TDE= -4.396202 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039093 tlogG= -0.614250 logG= -0.653343 Density= 3.419310 ETOT(band)= -1.558813 trlgG= -2.221142 logG= -0.653343 TDE= -4.395027 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039028 tlogG= -0.619529 logG= -0.658558 Density= 3.418509 ETOT(band)= -1.563409 trlgG= -2.230247 logG= -0.658558 TDE= -4.398255 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039362 tlogG= -0.610542 logG= -0.649904 Density= 3.420732 ETOT(band)= -1.554559 trlgG= -2.216361 logG= -0.649904 TDE= -4.394861 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039118 tlogG= -0.617565 logG= -0.656683 Density= 3.419465 ETOT(band)= -1.561213 trlgG= -2.226233 logG= -0.656683 TDE= -4.396905 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038966 tlogG= -0.617886 logG= -0.656853 Density= 3.418319 ETOT(band)= -1.562514 trlgG= -2.227413 logG= -0.656853 TDE= -4.396969 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038761 tlogG= -0.623074 logG= -0.661835 Density= 3.417299 ETOT(band)= -1.567419 trlgG= -2.236115 logG= -0.661835 TDE= -4.399845 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039325 tlogG= -0.612903 logG= -0.652228 Density= 3.420358 ETOT(band)= -1.556662 trlgG= -2.220341 logG= -0.652228 TDE= -4.396207 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038924 tlogG= -0.620130 logG= -0.659054 Density= 3.417974 ETOT(band)= -1.564492 trlgG= -2.231297 logG= -0.659054 TDE= -4.398366 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038915 tlogG= -0.624784 logG= -0.663699 Density= 3.417512 ETOT(band)= -1.568197 trlgG= -2.241199 logG= -0.663699 TDE= -4.403241 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039240 tlogG= -0.611260 logG= -0.650501 Density= 3.420222 ETOT(band)= -1.555627 trlgG= -2.216353 logG= -0.650501 TDE= -4.393834 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039035 tlogG= -0.620336 logG= -0.659372 Density= 3.419098 ETOT(band)= -1.563699 trlgG= -2.229844 logG= -0.659372 TDE= -4.397525 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038728 tlogG= -0.625849 logG= -0.664577 Density= 3.416880 ETOT(band)= -1.569749 trlgG= -2.241380 logG= -0.664577 TDE= -4.402020 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039097 tlogG= -0.620533 logG= -0.659630 Density= 3.419696 ETOT(band)= -1.563501 trlgG= -2.229533 logG= -0.659630 TDE= -4.397449 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038933 tlogG= -0.622705 logG= -0.661638 Density= 3.417679 ETOT(band)= -1.566542 trlgG= -2.236969 logG= -0.661638 TDE= -4.401209 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039122 tlogG= -0.617920 logG= -0.657042 Density= 3.419717 ETOT(band)= -1.561404 trlgG= -2.225807 logG= -0.657042 TDE= -4.396329 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 Sum of eigenvalues= -1021.23379607970 eV TrLogG= -1457.94492371915 eV Ratio to renormalize= 0.999473186251 rho-rho_expected= 0.086442994255 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 26) Finished k-point number 27 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 23) Finished k-point number 24 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 43) Finished k-point number 44 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 36) Finished k-point number 37 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 0) Finished k-point number 1 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800601296043617 0.802705079311164 0.802513440236325 0.800169989933224 0.803238827760714 0.802474643882061 0.800895432848045 0.802569729782624 0.802616662329340 0.800805880321278 0.802770826048886 0.802519354205149 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038722 tlogG= -0.627698 logG= -0.666419 Density= 3.416711 ETOT(band)= -1.571176 trlgG= -2.244871 logG= -0.666419 TDE= -4.403530 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.039012 tlogG= -0.619945 logG= -0.658957 Density= 3.418620 ETOT(band)= -1.563749 trlgG= -2.230451 logG= -0.658957 TDE= -4.398152 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039047 tlogG= -0.616802 logG= -0.655849 Density= 3.419034 ETOT(band)= -1.561050 trlgG= -2.225012 logG= -0.655849 TDE= -4.396162 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038910 tlogG= -0.626548 logG= -0.665457 Density= 3.417247 ETOT(band)= -1.569678 trlgG= -2.244956 logG= -0.665457 TDE= -4.405020 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039180 tlogG= -0.613662 logG= -0.652842 Density= 3.419591 ETOT(band)= -1.558039 trlgG= -2.221337 logG= -0.652842 TDE= -4.395954 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038863 tlogG= -0.620499 logG= -0.659362 Density= 3.417449 ETOT(band)= -1.565303 trlgG= -2.231913 logG= -0.659362 TDE= -4.398241 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038810 tlogG= -0.622751 logG= -0.661561 Density= 3.417287 ETOT(band)= -1.567136 trlgG= -2.236212 logG= -0.661561 TDE= -4.400205 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038914 tlogG= -0.618264 logG= -0.657178 Density= 3.418319 ETOT(band)= -1.562876 trlgG= -2.227215 logG= -0.657178 TDE= -4.396445 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038831 tlogG= -0.623601 logG= -0.662432 Density= 3.417593 ETOT(band)= -1.567473 trlgG= -2.237001 logG= -0.662432 TDE= -4.400377 logGD-logG0= -0.038806 tlogG= -0.620997 logG= -0.659803 Density= 3.417762 ETOT(band)= -1.565532 trlgG= -2.232120 logG= -0.659803 TDE= -4.398265 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038955 tlogG= -0.622451 logG= -0.661406 Density= 3.418334 ETOT(band)= -1.565918 trlgG= -2.234835 logG= -0.661406 TDE= -4.399849 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039093 tlogG= -0.614250 logG= -0.653343 Density= 3.419311 ETOT(band)= -1.558813 trlgG= -2.221142 logG= -0.653343 TDE= -4.395027 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038871 tlogG= -0.620529 logG= -0.659400 Density= 3.417956 ETOT(band)= -1.564885 trlgG= -2.231305 logG= -0.659400 TDE= -4.398013 logGD-logG0= -0.038816 tlogG= -0.625702 logG= -0.664518 Density= 3.417427 ETOT(band)= -1.569155 trlgG= -2.240686 logG= -0.664518 TDE= -4.401839 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039104 tlogG= -0.616290 logG= -0.655394 Density= 3.419134 ETOT(band)= -1.560470 trlgG= -2.225136 logG= -0.655394 TDE= -4.396825 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039268 tlogG= -0.613046 logG= -0.652314 Density= 3.419868 ETOT(band)= -1.557232 trlgG= -2.220829 logG= -0.652314 TDE= -4.396203 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038862 tlogG= -0.625257 logG= -0.664119 Density= 3.417456 ETOT(band)= -1.568702 trlgG= -2.241236 logG= -0.664119 TDE= -4.402811 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038883 tlogG= -0.624887 logG= -0.663770 Density= 3.417207 ETOT(band)= -1.568600 trlgG= -2.241656 logG= -0.663770 TDE= -4.403375 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038924 tlogG= -0.620130 logG= -0.659053 Density= 3.417975 ETOT(band)= -1.564492 trlgG= -2.231297 logG= -0.659053 TDE= -4.398367 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039240 tlogG= -0.611260 logG= -0.650500 Density= 3.420222 ETOT(band)= -1.555627 trlgG= -2.216353 logG= -0.650500 TDE= -4.393835 logGD-logG0= -0.039184 tlogG= -0.614090 logG= -0.653274 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 Density= 3.419939 ETOT(band)= -1.558154 trlgG= -2.220511 logG= -0.653274 TDE= -4.394986 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039362 tlogG= -0.610542 logG= -0.649904 Density= 3.420733 ETOT(band)= -1.554559 trlgG= -2.216361 logG= -0.649904 TDE= -4.394862 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039120 tlogG= -0.617192 logG= -0.656312 Density= 3.419238 ETOT(band)= -1.560985 trlgG= -2.226336 logG= -0.656312 TDE= -4.397192 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038805 tlogG= -0.625387 logG= -0.664192 Density= 3.417035 ETOT(band)= -1.569203 trlgG= -2.241803 logG= -0.664192 TDE= -4.402958 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038933 tlogG= -0.622705 logG= -0.661638 Density= 3.417679 ETOT(band)= -1.566542 trlgG= -2.236969 logG= -0.661638 TDE= -4.401210 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039325 tlogG= -0.612903 logG= -0.652228 Density= 3.420359 ETOT(band)= -1.556662 trlgG= -2.220341 logG= -0.652228 TDE= -4.396208 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038994 tlogG= -0.620321 logG= -0.659315 Density= 3.418762 ETOT(band)= -1.564025 trlgG= -2.230328 logG= -0.659315 TDE= -4.397787 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038944 tlogG= -0.622126 logG= -0.661070 Density= 3.418046 ETOT(band)= -1.565790 trlgG= -2.235153 logG= -0.661070 TDE= -4.400265 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038976 tlogG= -0.619689 logG= -0.658665 Density= 3.418008 ETOT(band)= -1.564041 trlgG= -2.230905 logG= -0.658665 TDE= -4.398391 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038762 tlogG= -0.623073 logG= -0.661835 Density= 3.417300 ETOT(band)= -1.567420 trlgG= -2.236115 logG= -0.661835 TDE= -4.399846 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038831 tlogG= -0.620753 logG= -0.659584 Density= 3.417601 ETOT(band)= -1.565426 trlgG= -2.231942 logG= -0.659584 TDE= -4.398172 logGD-logG0= -0.038971 tlogG= -0.622733 logG= -0.661704 Density= 3.418660 ETOT(band)= -1.565974 trlgG= -2.234340 logG= -0.661704 TDE= -4.399326 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038881 tlogG= -0.623161 logG= -0.662042 Density= 3.417616 ETOT(band)= -1.567029 trlgG= -2.237050 logG= -0.662042 TDE= -4.400835 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038813 tlogG= -0.627142 logG= -0.665955 Density= 3.416962 ETOT(band)= -1.570460 trlgG= -2.245306 logG= -0.665955 TDE= -4.404636 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039123 tlogG= -0.617919 logG= -0.657042 Density= 3.419718 ETOT(band)= -1.561404 trlgG= -2.225807 logG= -0.657042 TDE= -4.396330 logGD-logG0= -0.039036 tlogG= -0.620336 logG= -0.659371 Density= 3.419099 ETOT(band)= -1.563700 trlgG= -2.229844 logG= -0.659371 TDE= -4.397526 logGD-logG0= -0.039097 tlogG= -0.620533 logG= -0.659629 Density= 3.419696 ETOT(band)= -1.563501 trlgG= -2.229532 logG= -0.659629 TDE= -4.397450 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038728 tlogG= -0.625848 logG= -0.664577 Density= 3.416880 ETOT(band)= -1.569749 trlgG= -2.241380 logG= -0.664577 TDE= -4.402021 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039016 tlogG= -0.617479 logG= -0.656496 Density= 3.418325 ETOT(band)= -1.562121 trlgG= -2.227308 logG= -0.656496 TDE= -4.397226 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039483 tlogG= -0.609750 logG= -0.649232 Density= 3.421267 ETOT(band)= -1.553390 trlgG= -2.215450 logG= -0.649232 TDE= -4.395064 logGD-logG0= -0.039119 tlogG= -0.617564 logG= -0.656683 Density= 3.419466 ETOT(band)= -1.561213 trlgG= -2.226233 logG= -0.656683 TDE= -4.396906 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038982 tlogG= -0.620130 logG= -0.659112 Density= 3.418554 ETOT(band)= -1.563858 trlgG= -2.230154 logG= -0.659112 TDE= -4.397644 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039165 tlogG= -0.615773 logG= -0.654939 Density= 3.419266 ETOT(band)= -1.559868 trlgG= -2.224836 logG= -0.654939 TDE= -4.397089 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=118 logGD-logG0= -0.039029 tlogG= -0.619529 logG= -0.658557 Density= 3.418510 ETOT(band)= -1.563410 trlgG= -2.230247 logG= -0.658557 TDE= -4.398256 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038864 tlogG= -0.622383 logG= -0.661247 Density= 3.417285 ETOT(band)= -1.566792 trlgG= -2.236311 logG= -0.661247 TDE= -4.400618 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038967 tlogG= -0.617886 logG= -0.656852 Density= 3.418320 ETOT(band)= -1.562514 trlgG= -2.227413 logG= -0.656852 TDE= -4.396970 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038915 tlogG= -0.624784 logG= -0.663699 Density= 3.417513 ETOT(band)= -1.568197 trlgG= -2.241199 logG= -0.663699 TDE= -4.403241 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039253 tlogG= -0.613504 logG= -0.652758 Density= 3.420138 ETOT(band)= -1.557424 trlgG= -2.220771 logG= -0.652758 TDE= -4.395926 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 Sum of eigenvalues= -1021.23393931588 eV TrLogG= -1457.94533195194 eV Ratio to renormalize= 0.999472974667 rho-rho_expected= 0.086477730605 nargs= 1 argi=dmft2.def 31) Finished k-point number 32 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 7) Finished k-point number 8 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 1) Finished k-point number 2 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 36) Finished k-point number 37 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 20) Finished k-point number 21 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 43) Finished k-point number 44 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800600750886571 0.802704765324961 0.802512932683488 0.800169440343780 0.803238517165692 0.802474140948430 0.800894886285108 0.802569418575583 0.802616157680251 0.800805334572107 0.802770515662056 0.802518845382996 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038976 tlogG= -0.619690 logG= -0.658666 Density= 3.418008 ETOT(band)= -1.564041 trlgG= -2.230906 logG= -0.658666 TDE= -4.398391 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038955 tlogG= -0.622452 logG= -0.661407 Density= 3.418334 ETOT(band)= -1.565918 trlgG= -2.234835 logG= -0.661407 TDE= -4.399848 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038883 tlogG= -0.624888 logG= -0.663771 Density= 3.417207 ETOT(band)= -1.568600 trlgG= -2.241657 logG= -0.663771 TDE= -4.403375 logGD-logG0= -0.038966 tlogG= -0.617887 logG= -0.656853 Density= 3.418319 ETOT(band)= -1.562514 trlgG= -2.227414 logG= -0.656853 TDE= -4.396969 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039012 tlogG= -0.619946 logG= -0.658958 Density= 3.418620 ETOT(band)= -1.563749 trlgG= -2.230452 logG= -0.658958 TDE= -4.398151 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038971 tlogG= -0.622734 logG= -0.661705 Density= 3.418660 ETOT(band)= -1.565974 trlgG= -2.234340 logG= -0.661705 TDE= -4.399326 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038871 tlogG= -0.620530 logG= -0.659401 Density= 3.417956 ETOT(band)= -1.564885 trlgG= -2.231306 logG= -0.659401 TDE= -4.398012 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039180 tlogG= -0.613663 logG= -0.652843 Density= 3.419590 ETOT(band)= -1.558038 trlgG= -2.221337 logG= -0.652843 TDE= -4.395953 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038722 tlogG= -0.627699 logG= -0.666420 Density= 3.416711 ETOT(band)= -1.571176 trlgG= -2.244871 logG= -0.666420 TDE= -4.403529 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.039483 tlogG= -0.609751 logG= -0.649233 Density= 3.421266 ETOT(band)= -1.553390 trlgG= -2.215451 logG= -0.649233 TDE= -4.395063 logGD-logG0= -0.038806 tlogG= -0.620998 logG= -0.659804 Density= 3.417762 ETOT(band)= -1.565532 trlgG= -2.232121 logG= -0.659804 TDE= -4.398264 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038863 tlogG= -0.620500 logG= -0.659362 Density= 3.417449 ETOT(band)= -1.565303 trlgG= -2.231914 logG= -0.659362 TDE= -4.398240 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038831 tlogG= -0.620754 logG= -0.659585 Density= 3.417600 ETOT(band)= -1.565426 trlgG= -2.231943 logG= -0.659585 TDE= -4.398172 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038910 tlogG= -0.626549 logG= -0.665458 Density= 3.417247 ETOT(band)= -1.569678 trlgG= -2.244956 logG= -0.665458 TDE= -4.405020 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039240 tlogG= -0.611261 logG= -0.650501 Density= 3.420222 ETOT(band)= -1.555627 trlgG= -2.216354 logG= -0.650501 TDE= -4.393834 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038831 tlogG= -0.623602 logG= -0.662433 Density= 3.417592 ETOT(band)= -1.567473 trlgG= -2.237002 logG= -0.662433 TDE= -4.400376 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039104 tlogG= -0.616291 logG= -0.655395 Density= 3.419134 ETOT(band)= -1.560470 trlgG= -2.225137 logG= -0.655395 TDE= -4.396824 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039047 tlogG= -0.616803 logG= -0.655850 Density= 3.419033 ETOT(band)= -1.561049 trlgG= -2.225013 logG= -0.655850 TDE= -4.396162 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038816 tlogG= -0.625703 logG= -0.664519 Density= 3.417427 ETOT(band)= -1.569154 trlgG= -2.240687 logG= -0.664519 TDE= -4.401838 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039093 tlogG= -0.614251 logG= -0.653344 Density= 3.419311 ETOT(band)= -1.558813 trlgG= -2.221143 logG= -0.653344 TDE= -4.395027 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039097 tlogG= -0.620534 logG= -0.659630 Density= 3.419696 ETOT(band)= -1.563501 trlgG= -2.229533 logG= -0.659630 TDE= -4.397450 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038994 tlogG= -0.620322 logG= -0.659316 Density= 3.418762 ETOT(band)= -1.564024 trlgG= -2.230328 logG= -0.659316 TDE= -4.397786 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039120 tlogG= -0.617193 logG= -0.656313 Density= 3.419237 ETOT(band)= -1.560985 trlgG= -2.226337 logG= -0.656313 TDE= -4.397191 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038881 tlogG= -0.623162 logG= -0.662043 Density= 3.417615 ETOT(band)= -1.567029 trlgG= -2.237051 logG= -0.662043 TDE= -4.400834 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038862 tlogG= -0.625258 logG= -0.664120 Density= 3.417456 ETOT(band)= -1.568702 trlgG= -2.241237 logG= -0.664120 TDE= -4.402811 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038914 tlogG= -0.618265 logG= -0.657179 Density= 3.418318 ETOT(band)= -1.562876 trlgG= -2.227216 logG= -0.657179 TDE= -4.396445 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038813 tlogG= -0.627143 logG= -0.665956 Density= 3.416961 ETOT(band)= -1.570459 trlgG= -2.245306 logG= -0.665956 TDE= -4.404636 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039268 tlogG= -0.613047 logG= -0.652315 Density= 3.419868 ETOT(band)= -1.557232 trlgG= -2.220829 logG= -0.652315 TDE= -4.396203 logGD-logG0= -0.038924 tlogG= -0.620131 logG= -0.659054 Density= 3.417975 ETOT(band)= -1.564492 trlgG= -2.231297 logG= -0.659054 TDE= -4.398366 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038933 tlogG= -0.622706 logG= -0.661639 Density= 3.417679 ETOT(band)= -1.566542 trlgG= -2.236969 logG= -0.661639 TDE= -4.401209 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038805 tlogG= -0.625388 logG= -0.664193 Density= 3.417035 ETOT(band)= -1.569203 trlgG= -2.241804 logG= -0.664193 TDE= -4.402958 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038944 tlogG= -0.622127 logG= -0.661071 Density= 3.418046 ETOT(band)= -1.565790 trlgG= -2.235154 logG= -0.661071 TDE= -4.400265 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038810 tlogG= -0.622752 logG= -0.661562 Density= 3.417286 ETOT(band)= -1.567135 trlgG= -2.236212 logG= -0.661562 TDE= -4.400205 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039029 tlogG= -0.619530 logG= -0.658558 Density= 3.418510 ETOT(band)= -1.563409 trlgG= -2.230248 logG= -0.658558 TDE= -4.398255 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039184 tlogG= -0.614091 logG= -0.653275 Density= 3.419939 ETOT(band)= -1.558154 trlgG= -2.220512 logG= -0.653275 TDE= -4.394985 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038982 tlogG= -0.620131 logG= -0.659113 Density= 3.418553 ETOT(band)= -1.563857 trlgG= -2.230155 logG= -0.659113 TDE= -4.397644 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038864 tlogG= -0.622384 logG= -0.661248 Density= 3.417285 ETOT(band)= -1.566792 trlgG= -2.236312 logG= -0.661248 TDE= -4.400617 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039253 tlogG= -0.613505 logG= -0.652759 Density= 3.420138 ETOT(band)= -1.557424 trlgG= -2.220771 logG= -0.652759 TDE= -4.395925 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038915 tlogG= -0.624785 logG= -0.663700 Density= 3.417513 ETOT(band)= -1.568197 trlgG= -2.241199 logG= -0.663700 TDE= -4.403241 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039119 tlogG= -0.617565 logG= -0.656684 Density= 3.419465 ETOT(band)= -1.561213 trlgG= -2.226234 logG= -0.656684 TDE= -4.396906 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039362 tlogG= -0.610543 logG= -0.649905 Density= 3.420733 ETOT(band)= -1.554559 trlgG= -2.216362 logG= -0.649905 TDE= -4.394861 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039016 tlogG= -0.617480 logG= -0.656496 Density= 3.418325 ETOT(band)= -1.562121 trlgG= -2.227309 logG= -0.656496 TDE= -4.397225 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038761 tlogG= -0.623074 logG= -0.661836 Density= 3.417300 ETOT(band)= -1.567419 trlgG= -2.236116 logG= -0.661836 TDE= -4.399845 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038728 tlogG= -0.625849 logG= -0.664578 Density= 3.416880 ETOT(band)= -1.569749 trlgG= -2.241380 logG= -0.664578 TDE= -4.402021 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039165 tlogG= -0.615774 logG= -0.654939 Density= 3.419266 ETOT(band)= -1.559868 trlgG= -2.224837 logG= -0.654939 TDE= -4.397088 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=118 logGD-logG0= -0.039123 tlogG= -0.617920 logG= -0.657043 Density= 3.419717 ETOT(band)= -1.561404 trlgG= -2.225808 logG= -0.657043 TDE= -4.396329 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039325 tlogG= -0.612904 logG= -0.652229 Density= 3.420359 ETOT(band)= -1.556662 trlgG= -2.220342 logG= -0.652229 TDE= -4.396208 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.039036 tlogG= -0.620337 logG= -0.659372 Density= 3.419099 ETOT(band)= -1.563699 trlgG= -2.229845 logG= -0.659372 TDE= -4.397526 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 Sum of eigenvalues= -1021.23375246701 eV TrLogG= -1457.94556156855 eV Ratio to renormalize= 0.999473057858 rho-rho_expected= 0.086464072857 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 47) Finished k-point number 48 1 with #bands= 104 38) Finished k-point number 39 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 33) Finished k-point number 34 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 12) Finished k-point number 13 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 20) Finished k-point number 21 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800600063952047 0.802703966151023 0.802512206904626 0.800168754272089 0.803237687792810 0.802473435099283 0.800894224180768 0.802568590639376 0.802615427739434 0.800804654584864 0.802769694627030 0.802518142204044 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038863 tlogG= -0.620497 logG= -0.659360 Density= 3.417449 ETOT(band)= -1.565302 trlgG= -2.231910 logG= -0.659360 TDE= -4.398239 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038816 tlogG= -0.625701 logG= -0.664516 Density= 3.417426 ETOT(band)= -1.569154 trlgG= -2.240683 logG= -0.664516 TDE= -4.401837 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038831 tlogG= -0.623599 logG= -0.662430 Density= 3.417592 ETOT(band)= -1.567472 trlgG= -2.236998 logG= -0.662430 TDE= -4.400375 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038813 tlogG= -0.627140 logG= -0.665953 Density= 3.416961 ETOT(band)= -1.570459 trlgG= -2.245303 logG= -0.665953 TDE= -4.404635 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038970 tlogG= -0.622731 logG= -0.661702 Density= 3.418660 ETOT(band)= -1.565973 trlgG= -2.234336 logG= -0.661702 TDE= -4.399324 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039012 tlogG= -0.619943 logG= -0.658955 Density= 3.418619 ETOT(band)= -1.563748 trlgG= -2.230448 logG= -0.658955 TDE= -4.398150 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038994 tlogG= -0.620319 logG= -0.659313 Density= 3.418761 ETOT(band)= -1.564023 trlgG= -2.230324 logG= -0.659313 TDE= -4.397785 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039165 tlogG= -0.615772 logG= -0.654937 Density= 3.419265 ETOT(band)= -1.559867 trlgG= -2.224833 logG= -0.654937 TDE= -4.397087 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039104 tlogG= -0.616288 logG= -0.655392 Density= 3.419134 ETOT(band)= -1.560469 trlgG= -2.225133 logG= -0.655392 TDE= -4.396823 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038883 tlogG= -0.624885 logG= -0.663768 Density= 3.417207 ETOT(band)= -1.568599 trlgG= -2.241653 logG= -0.663768 TDE= -4.403374 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038810 tlogG= -0.622750 logG= -0.661559 Density= 3.417286 ETOT(band)= -1.567135 trlgG= -2.236209 logG= -0.661559 TDE= -4.400203 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038955 tlogG= -0.622450 logG= -0.661404 Density= 3.418333 ETOT(band)= -1.565917 trlgG= -2.234831 logG= -0.661404 TDE= -4.399847 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038862 tlogG= -0.625255 logG= -0.664117 Density= 3.417455 ETOT(band)= -1.568701 trlgG= -2.241233 logG= -0.664117 TDE= -4.402810 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038721 tlogG= -0.627696 logG= -0.666417 Density= 3.416711 ETOT(band)= -1.571175 trlgG= -2.244867 logG= -0.666417 TDE= -4.403528 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.038909 tlogG= -0.626546 logG= -0.665455 Density= 3.417246 ETOT(band)= -1.569677 trlgG= -2.244952 logG= -0.665455 TDE= -4.405018 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038871 tlogG= -0.620527 logG= -0.659398 Density= 3.417955 ETOT(band)= -1.564884 trlgG= -2.231302 logG= -0.659398 TDE= -4.398011 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039482 tlogG= -0.609748 logG= -0.649230 Density= 3.421266 ETOT(band)= -1.553389 trlgG= -2.215447 logG= -0.649230 TDE= -4.395061 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.039268 tlogG= -0.613045 logG= -0.652312 Density= 3.419867 ETOT(band)= -1.557231 trlgG= -2.220825 logG= -0.652312 TDE= -4.396201 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039180 tlogG= -0.613661 logG= -0.652841 Density= 3.419590 ETOT(band)= -1.558038 trlgG= -2.221333 logG= -0.652841 TDE= -4.395952 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038881 tlogG= -0.623160 logG= -0.662040 Density= 3.417615 ETOT(band)= -1.567028 trlgG= -2.237047 logG= -0.662040 TDE= -4.400833 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038933 tlogG= -0.622703 logG= -0.661636 Density= 3.417679 ETOT(band)= -1.566541 trlgG= -2.236966 logG= -0.661636 TDE= -4.401208 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038728 tlogG= -0.625847 logG= -0.664575 Density= 3.416880 ETOT(band)= -1.569748 trlgG= -2.241377 logG= -0.664575 TDE= -4.402020 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038914 tlogG= -0.618263 logG= -0.657176 Density= 3.418318 ETOT(band)= -1.562875 trlgG= -2.227212 logG= -0.657176 TDE= -4.396443 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038806 tlogG= -0.620996 logG= -0.659801 Density= 3.417762 ETOT(band)= -1.565531 trlgG= -2.232117 logG= -0.659801 TDE= -4.398263 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038944 tlogG= -0.622124 logG= -0.661068 Density= 3.418045 ETOT(band)= -1.565789 trlgG= -2.235150 logG= -0.661068 TDE= -4.400264 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039093 tlogG= -0.614248 logG= -0.653341 Density= 3.419310 ETOT(band)= -1.558812 trlgG= -2.221139 logG= -0.653341 TDE= -4.395026 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038976 tlogG= -0.619688 logG= -0.658663 Density= 3.418008 ETOT(band)= -1.564040 trlgG= -2.230902 logG= -0.658663 TDE= -4.398390 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038864 tlogG= -0.622381 logG= -0.661245 Density= 3.417284 ETOT(band)= -1.566791 trlgG= -2.236308 logG= -0.661245 TDE= -4.400616 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038915 tlogG= -0.624782 logG= -0.663697 Density= 3.417512 ETOT(band)= -1.568196 trlgG= -2.241195 logG= -0.663697 TDE= -4.403240 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039325 tlogG= -0.612901 logG= -0.652226 Density= 3.420358 ETOT(band)= -1.556661 trlgG= -2.220338 logG= -0.652226 TDE= -4.396206 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.039028 tlogG= -0.619527 logG= -0.658555 Density= 3.418509 ETOT(band)= -1.563408 trlgG= -2.230244 logG= -0.658555 TDE= -4.398254 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039047 tlogG= -0.616800 logG= -0.655847 Density= 3.419033 ETOT(band)= -1.561048 trlgG= -2.225009 logG= -0.655847 TDE= -4.396160 logGD-logG0= -0.038924 tlogG= -0.620128 logG= -0.659051 Density= 3.417974 ETOT(band)= -1.564491 trlgG= -2.231294 logG= -0.659051 TDE= -4.398365 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039118 tlogG= -0.617563 logG= -0.656681 Density= 3.419465 ETOT(band)= -1.561212 trlgG= -2.226230 logG= -0.656681 TDE= -4.396904 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038830 tlogG= -0.620752 logG= -0.659582 Density= 3.417600 ETOT(band)= -1.565425 trlgG= -2.231939 logG= -0.659582 TDE= -4.398171 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039016 tlogG= -0.617478 logG= -0.656494 Density= 3.418324 ETOT(band)= -1.562120 trlgG= -2.227305 logG= -0.656494 TDE= -4.397224 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038805 tlogG= -0.625385 logG= -0.664190 Density= 3.417035 ETOT(band)= -1.569202 trlgG= -2.241800 logG= -0.664190 TDE= -4.402956 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039253 tlogG= -0.613503 logG= -0.652756 Density= 3.420138 ETOT(band)= -1.557423 trlgG= -2.220767 logG= -0.652756 TDE= -4.395923 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039122 tlogG= -0.617917 logG= -0.657040 Density= 3.419717 ETOT(band)= -1.561403 trlgG= -2.225804 logG= -0.657040 TDE= -4.396328 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039035 tlogG= -0.620334 logG= -0.659369 Density= 3.419098 ETOT(band)= -1.563698 trlgG= -2.229841 logG= -0.659369 TDE= -4.397524 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039119 tlogG= -0.617191 logG= -0.656310 Density= 3.419237 ETOT(band)= -1.560984 trlgG= -2.226333 logG= -0.656310 TDE= -4.397190 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038966 tlogG= -0.617884 logG= -0.656850 Density= 3.418319 ETOT(band)= -1.562513 trlgG= -2.227410 logG= -0.656850 TDE= -4.396968 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038761 tlogG= -0.623072 logG= -0.661833 Density= 3.417299 ETOT(band)= -1.567418 trlgG= -2.236112 logG= -0.661833 TDE= -4.399844 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038982 tlogG= -0.620128 logG= -0.659110 Density= 3.418553 ETOT(band)= -1.563856 trlgG= -2.230151 logG= -0.659110 TDE= -4.397643 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039184 tlogG= -0.614088 logG= -0.653272 Density= 3.419939 ETOT(band)= -1.558153 trlgG= -2.220508 logG= -0.653272 TDE= -4.394984 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039096 tlogG= -0.620531 logG= -0.659627 Density= 3.419696 ETOT(band)= -1.563500 trlgG= -2.229529 logG= -0.659627 TDE= -4.397448 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.039362 tlogG= -0.610540 logG= -0.649902 Density= 3.420732 ETOT(band)= -1.554558 trlgG= -2.216358 logG= -0.649902 TDE= -4.394860 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039240 tlogG= -0.611258 logG= -0.650498 Density= 3.420222 ETOT(band)= -1.555626 trlgG= -2.216350 logG= -0.650498 TDE= -4.393833 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 Sum of eigenvalues= -1021.23316462474 eV TrLogG= -1457.94286788324 eV Ratio to renormalize= 0.999473192374 rho-rho_expected= 0.086441988923 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 37) Finished k-point number 38 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 39) Finished k-point number 40 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 27) Finished k-point number 28 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800598109079292 0.802701902240178 0.802510101908781 0.800166793657366 0.803235547275921 0.802471391583367 0.800892311905795 0.802566489515691 0.802613303600660 0.800802713630091 0.802767560100723 0.802516117009576 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038761 tlogG= -0.623066 logG= -0.661826 Density= 3.417298 ETOT(band)= -1.567418 trlgG= -2.236105 logG= -0.661826 TDE= -4.399843 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038913 tlogG= -0.618256 logG= -0.657169 Density= 3.418317 ETOT(band)= -1.562874 trlgG= -2.227205 logG= -0.657169 TDE= -4.396442 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038909 tlogG= -0.626540 logG= -0.665449 Density= 3.417245 ETOT(band)= -1.569676 trlgG= -2.244945 logG= -0.665449 TDE= -4.405017 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038883 tlogG= -0.624879 logG= -0.663761 Density= 3.417205 ETOT(band)= -1.568599 trlgG= -2.241646 logG= -0.663761 TDE= -4.403372 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039015 tlogG= -0.617471 logG= -0.656487 Density= 3.418323 ETOT(band)= -1.562120 trlgG= -2.227297 logG= -0.656487 TDE= -4.397222 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039046 tlogG= -0.616794 logG= -0.655840 Density= 3.419032 ETOT(band)= -1.561048 trlgG= -2.225001 logG= -0.655840 TDE= -4.396159 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039092 tlogG= -0.614242 logG= -0.653334 Density= 3.419309 ETOT(band)= -1.558812 trlgG= -2.221131 logG= -0.653334 TDE= -4.395024 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038981 tlogG= -0.620122 logG= -0.659103 Density= 3.418552 ETOT(band)= -1.563856 trlgG= -2.230144 logG= -0.659103 TDE= -4.397641 logGD-logG0= -0.038871 tlogG= -0.620521 logG= -0.659391 Density= 3.417954 ETOT(band)= -1.564883 trlgG= -2.231295 logG= -0.659391 TDE= -4.398010 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038721 tlogG= -0.627690 logG= -0.666411 Density= 3.416709 ETOT(band)= -1.571175 trlgG= -2.244861 logG= -0.666411 TDE= -4.403527 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.038993 tlogG= -0.620313 logG= -0.659306 Density= 3.418760 ETOT(band)= -1.564023 trlgG= -2.230317 logG= -0.659306 TDE= -4.397784 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038975 tlogG= -0.619681 logG= -0.658656 Density= 3.418006 ETOT(band)= -1.564040 trlgG= -2.230895 logG= -0.658656 TDE= -4.398388 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039103 tlogG= -0.616282 logG= -0.655385 Density= 3.419132 ETOT(band)= -1.560469 trlgG= -2.225125 logG= -0.655385 TDE= -4.396821 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039164 tlogG= -0.615766 logG= -0.654930 Density= 3.419264 ETOT(band)= -1.559866 trlgG= -2.224825 logG= -0.654930 TDE= -4.397085 logGD-logG0= -0.038728 tlogG= -0.625841 logG= -0.664568 Density= 3.416878 ETOT(band)= -1.569747 trlgG= -2.241370 logG= -0.664568 TDE= -4.402018 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038815 tlogG= -0.625694 logG= -0.664509 Density= 3.417425 ETOT(band)= -1.569153 trlgG= -2.240676 logG= -0.664509 TDE= -4.401836 logGD-logG0= -0.038813 tlogG= -0.627134 logG= -0.665946 Density= 3.416959 ETOT(band)= -1.570458 trlgG= -2.245296 logG= -0.665946 TDE= -4.404633 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038861 tlogG= -0.625249 logG= -0.664110 Density= 3.417454 ETOT(band)= -1.568700 trlgG= -2.241226 logG= -0.664110 TDE= -4.402808 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038862 tlogG= -0.620491 logG= -0.659353 Density= 3.417447 ETOT(band)= -1.565302 trlgG= -2.231903 logG= -0.659353 TDE= -4.398238 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039011 tlogG= -0.619937 logG= -0.658948 Density= 3.418618 ETOT(band)= -1.563748 trlgG= -2.230441 logG= -0.658948 TDE= -4.398148 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039252 tlogG= -0.613496 logG= -0.652749 Density= 3.420136 ETOT(band)= -1.557422 trlgG= -2.220760 logG= -0.652749 TDE= -4.395922 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.039361 tlogG= -0.610534 logG= -0.649895 Density= 3.420731 ETOT(band)= -1.554557 trlgG= -2.216350 logG= -0.649895 TDE= -4.394858 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038970 tlogG= -0.622725 logG= -0.661695 Density= 3.418659 ETOT(band)= -1.565972 trlgG= -2.234329 logG= -0.661695 TDE= -4.399323 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038830 tlogG= -0.623593 logG= -0.662423 Density= 3.417591 ETOT(band)= -1.567471 trlgG= -2.236991 logG= -0.662423 TDE= -4.400374 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039179 tlogG= -0.613655 logG= -0.652834 Density= 3.419588 ETOT(band)= -1.558037 trlgG= -2.221326 logG= -0.652834 TDE= -4.395950 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038805 tlogG= -0.620989 logG= -0.659795 Density= 3.417760 ETOT(band)= -1.565530 trlgG= -2.232111 logG= -0.659795 TDE= -4.398262 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038954 tlogG= -0.622443 logG= -0.661397 Density= 3.418332 ETOT(band)= -1.565917 trlgG= -2.234824 logG= -0.661397 TDE= -4.399846 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039028 tlogG= -0.619521 logG= -0.658549 Density= 3.418508 ETOT(band)= -1.563408 trlgG= -2.230237 logG= -0.658549 TDE= -4.398252 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038923 tlogG= -0.620122 logG= -0.659045 Density= 3.417973 ETOT(band)= -1.564491 trlgG= -2.231287 logG= -0.659045 TDE= -4.398364 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039267 tlogG= -0.613038 logG= -0.652305 Density= 3.419866 ETOT(band)= -1.557231 trlgG= -2.220818 logG= -0.652305 TDE= -4.396199 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038863 tlogG= -0.622375 logG= -0.661238 Density= 3.417283 ETOT(band)= -1.566791 trlgG= -2.236301 logG= -0.661238 TDE= -4.400615 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039324 tlogG= -0.612895 logG= -0.652219 Density= 3.420357 ETOT(band)= -1.556660 trlgG= -2.220330 logG= -0.652219 TDE= -4.396204 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.039183 tlogG= -0.614082 logG= -0.653265 Density= 3.419938 ETOT(band)= -1.558152 trlgG= -2.220500 logG= -0.653265 TDE= -4.394982 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039240 tlogG= -0.611252 logG= -0.650492 Density= 3.420220 ETOT(band)= -1.555625 trlgG= -2.216342 logG= -0.650492 TDE= -4.393831 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038932 tlogG= -0.622697 logG= -0.661629 Density= 3.417677 ETOT(band)= -1.566541 trlgG= -2.236959 logG= -0.661629 TDE= -4.401207 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038804 tlogG= -0.625379 logG= -0.664183 Density= 3.417033 ETOT(band)= -1.569202 trlgG= -2.241793 logG= -0.664183 TDE= -4.402955 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038880 tlogG= -0.623153 logG= -0.662033 Density= 3.417613 ETOT(band)= -1.567028 trlgG= -2.237040 logG= -0.662033 TDE= -4.400832 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038809 tlogG= -0.622743 logG= -0.661552 Density= 3.417284 ETOT(band)= -1.567134 trlgG= -2.236202 logG= -0.661552 TDE= -4.400202 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039118 tlogG= -0.617557 logG= -0.656674 Density= 3.419464 ETOT(band)= -1.561212 trlgG= -2.226222 logG= -0.656674 TDE= -4.396903 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039122 tlogG= -0.617911 logG= -0.657033 Density= 3.419716 ETOT(band)= -1.561402 trlgG= -2.225796 logG= -0.657033 TDE= -4.396327 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039482 tlogG= -0.609742 logG= -0.649224 Density= 3.421265 ETOT(band)= -1.553388 trlgG= -2.215439 logG= -0.649224 TDE= -4.395059 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038830 tlogG= -0.620746 logG= -0.659575 Density= 3.417599 ETOT(band)= -1.565425 trlgG= -2.231933 logG= -0.659575 TDE= -4.398169 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039096 tlogG= -0.620525 logG= -0.659620 Density= 3.419695 ETOT(band)= -1.563499 trlgG= -2.229522 logG= -0.659620 TDE= -4.397447 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039119 tlogG= -0.617184 logG= -0.656303 Density= 3.419236 ETOT(band)= -1.560983 trlgG= -2.226325 logG= -0.656303 TDE= -4.397188 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038914 tlogG= -0.624776 logG= -0.663690 Density= 3.417511 ETOT(band)= -1.568195 trlgG= -2.241188 logG= -0.663690 TDE= -4.403238 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038943 tlogG= -0.622118 logG= -0.661061 Density= 3.418044 ETOT(band)= -1.565789 trlgG= -2.235143 logG= -0.661061 TDE= -4.400262 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038966 tlogG= -0.617878 logG= -0.656844 Density= 3.418318 ETOT(band)= -1.562513 trlgG= -2.227403 logG= -0.656844 TDE= -4.396966 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039035 tlogG= -0.620328 logG= -0.659363 Density= 3.419097 ETOT(band)= -1.563698 trlgG= -2.229834 logG= -0.659363 TDE= -4.397523 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 Sum of eigenvalues= -1021.23291238325 eV TrLogG= -1457.93745924388 eV Ratio to renormalize= 0.999473562553 rho-rho_expected= 0.086381215586 nargs= 1 argi=dmft2.def 27) Finished k-point number 28 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 5) Finished k-point number 6 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 41) Finished k-point number 42 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 30) Finished k-point number 31 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 45) Finished k-point number 46 1 with #bands= 107 24) Finished k-point number 25 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 8) Finished k-point number 9 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 39) Finished k-point number 40 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800598230389196 0.802701758467214 0.802510290424373 0.800166918073774 0.803235431900211 0.802471555627010 0.800892429400279 0.802566346650093 0.802613497871191 0.800802841006072 0.802767450133547 0.802516266343443 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038815 tlogG= -0.625696 logG= -0.664511 Density= 3.417425 ETOT(band)= -1.569153 trlgG= -2.240678 logG= -0.664511 TDE= -4.401836 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039046 tlogG= -0.616796 logG= -0.655842 Density= 3.419032 ETOT(band)= -1.561048 trlgG= -2.225004 logG= -0.655842 TDE= -4.396159 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038993 tlogG= -0.620315 logG= -0.659308 Density= 3.418760 ETOT(band)= -1.564023 trlgG= -2.230319 logG= -0.659308 TDE= -4.397784 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038970 tlogG= -0.622727 logG= -0.661697 Density= 3.418659 ETOT(band)= -1.565973 trlgG= -2.234332 logG= -0.661697 TDE= -4.399324 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038721 tlogG= -0.627692 logG= -0.666413 Density= 3.416710 ETOT(band)= -1.571175 trlgG= -2.244863 logG= -0.666413 TDE= -4.403527 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.039103 tlogG= -0.616284 logG= -0.655387 Density= 3.419133 ETOT(band)= -1.560469 trlgG= -2.225128 logG= -0.655387 TDE= -4.396821 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039011 tlogG= -0.619939 logG= -0.658950 Density= 3.418618 ETOT(band)= -1.563748 trlgG= -2.230443 logG= -0.658950 TDE= -4.398149 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038954 tlogG= -0.622445 logG= -0.661399 Density= 3.418333 ETOT(band)= -1.565917 trlgG= -2.234826 logG= -0.661399 TDE= -4.399846 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038862 tlogG= -0.620493 logG= -0.659355 Density= 3.417447 ETOT(band)= -1.565302 trlgG= -2.231906 logG= -0.659355 TDE= -4.398238 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039164 tlogG= -0.615767 logG= -0.654932 Density= 3.419264 ETOT(band)= -1.559867 trlgG= -2.224828 logG= -0.654932 TDE= -4.397086 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039183 tlogG= -0.614084 logG= -0.653267 Density= 3.419938 ETOT(band)= -1.558152 trlgG= -2.220503 logG= -0.653267 TDE= -4.394982 logGD-logG0= -0.038913 tlogG= -0.618258 logG= -0.657171 Density= 3.418317 ETOT(band)= -1.562875 trlgG= -2.227207 logG= -0.657171 TDE= -4.396442 logGD-logG0= -0.038830 tlogG= -0.623595 logG= -0.662425 Density= 3.417591 ETOT(band)= -1.567471 trlgG= -2.236993 logG= -0.662425 TDE= -4.400374 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038813 tlogG= -0.627136 logG= -0.665948 Density= 3.416960 ETOT(band)= -1.570458 trlgG= -2.245298 logG= -0.665948 TDE= -4.404634 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038863 tlogG= -0.622377 logG= -0.661240 Density= 3.417283 ETOT(band)= -1.566791 trlgG= -2.236304 logG= -0.661240 TDE= -4.400615 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038975 tlogG= -0.619683 logG= -0.658658 Density= 3.418007 ETOT(band)= -1.564040 trlgG= -2.230897 logG= -0.658658 TDE= -4.398389 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038909 tlogG= -0.626542 logG= -0.665451 Density= 3.417245 ETOT(band)= -1.569677 trlgG= -2.244948 logG= -0.665451 TDE= -4.405018 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.039119 tlogG= -0.617186 logG= -0.656305 Density= 3.419236 ETOT(band)= -1.560983 trlgG= -2.226327 logG= -0.656305 TDE= -4.397188 logGD-logG0= -0.039179 tlogG= -0.613656 logG= -0.652836 Density= 3.419589 ETOT(band)= -1.558037 trlgG= -2.221328 logG= -0.652836 TDE= -4.395950 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038883 tlogG= -0.624881 logG= -0.663763 Density= 3.417205 ETOT(band)= -1.568599 trlgG= -2.241648 logG= -0.663763 TDE= -4.403373 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038805 tlogG= -0.620991 logG= -0.659797 Density= 3.417761 ETOT(band)= -1.565530 trlgG= -2.232113 logG= -0.659797 TDE= -4.398262 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038862 tlogG= -0.625251 logG= -0.664112 Density= 3.417454 ETOT(band)= -1.568700 trlgG= -2.241228 logG= -0.664112 TDE= -4.402809 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039028 tlogG= -0.619523 logG= -0.658551 Density= 3.418508 ETOT(band)= -1.563408 trlgG= -2.230239 logG= -0.658551 TDE= -4.398253 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038914 tlogG= -0.624778 logG= -0.663692 Density= 3.417511 ETOT(band)= -1.568196 trlgG= -2.241191 logG= -0.663692 TDE= -4.403239 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038880 tlogG= -0.623155 logG= -0.662035 Density= 3.417614 ETOT(band)= -1.567028 trlgG= -2.237042 logG= -0.662035 TDE= -4.400832 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038761 tlogG= -0.623067 logG= -0.661828 Density= 3.417298 ETOT(band)= -1.567418 trlgG= -2.236107 logG= -0.661828 TDE= -4.399843 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039324 tlogG= -0.612897 logG= -0.652221 Density= 3.420357 ETOT(band)= -1.556661 trlgG= -2.220332 logG= -0.652221 TDE= -4.396205 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038966 tlogG= -0.617880 logG= -0.656846 Density= 3.418318 ETOT(band)= -1.562513 trlgG= -2.227405 logG= -0.656846 TDE= -4.396967 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038728 tlogG= -0.625842 logG= -0.664570 Density= 3.416879 ETOT(band)= -1.569748 trlgG= -2.241372 logG= -0.664570 TDE= -4.402019 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038804 tlogG= -0.625381 logG= -0.664185 Density= 3.417034 ETOT(band)= -1.569202 trlgG= -2.241795 logG= -0.664185 TDE= -4.402956 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038809 tlogG= -0.622745 logG= -0.661554 Density= 3.417285 ETOT(band)= -1.567134 trlgG= -2.236204 logG= -0.661554 TDE= -4.400203 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038871 tlogG= -0.620523 logG= -0.659393 Density= 3.417954 ETOT(band)= -1.564884 trlgG= -2.231297 logG= -0.659393 TDE= -4.398010 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039253 tlogG= -0.613498 logG= -0.652751 Density= 3.420137 ETOT(band)= -1.557423 trlgG= -2.220762 logG= -0.652751 TDE= -4.395922 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.039361 tlogG= -0.610536 logG= -0.649897 Density= 3.420731 ETOT(band)= -1.554557 trlgG= -2.216353 logG= -0.649897 TDE= -4.394858 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039118 tlogG= -0.617558 logG= -0.656676 Density= 3.419464 ETOT(band)= -1.561212 trlgG= -2.226224 logG= -0.656676 TDE= -4.396903 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039122 tlogG= -0.617913 logG= -0.657035 Density= 3.419716 ETOT(band)= -1.561403 trlgG= -2.225798 logG= -0.657035 TDE= -4.396327 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039096 tlogG= -0.620526 logG= -0.659622 Density= 3.419695 ETOT(band)= -1.563499 trlgG= -2.229524 logG= -0.659622 TDE= -4.397448 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.039016 tlogG= -0.617473 logG= -0.656489 Density= 3.418323 ETOT(band)= -1.562120 trlgG= -2.227300 logG= -0.656489 TDE= -4.397222 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039482 tlogG= -0.609744 logG= -0.649226 Density= 3.421265 ETOT(band)= -1.553389 trlgG= -2.215442 logG= -0.649226 TDE= -4.395060 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038923 tlogG= -0.620124 logG= -0.659047 Density= 3.417973 ETOT(band)= -1.564491 trlgG= -2.231289 logG= -0.659047 TDE= -4.398364 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038981 tlogG= -0.620124 logG= -0.659105 Density= 3.418552 ETOT(band)= -1.563856 trlgG= -2.230146 logG= -0.659105 TDE= -4.397642 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039093 tlogG= -0.614244 logG= -0.653336 Density= 3.419309 ETOT(band)= -1.558812 trlgG= -2.221133 logG= -0.653336 TDE= -4.395024 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039267 tlogG= -0.613040 logG= -0.652307 Density= 3.419866 ETOT(band)= -1.557231 trlgG= -2.220820 logG= -0.652307 TDE= -4.396200 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038943 tlogG= -0.622120 logG= -0.661063 Density= 3.418044 ETOT(band)= -1.565789 trlgG= -2.235145 logG= -0.661063 TDE= -4.400263 logGD-logG0= -0.039035 tlogG= -0.620330 logG= -0.659365 Density= 3.419098 ETOT(band)= -1.563698 trlgG= -2.229836 logG= -0.659365 TDE= -4.397524 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038830 tlogG= -0.620747 logG= -0.659577 Density= 3.417599 ETOT(band)= -1.565425 trlgG= -2.231935 logG= -0.659577 TDE= -4.398170 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039240 tlogG= -0.611254 logG= -0.650494 Density= 3.420221 ETOT(band)= -1.555626 trlgG= -2.216345 logG= -0.650494 TDE= -4.393832 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038932 tlogG= -0.622699 logG= -0.661631 Density= 3.417678 ETOT(band)= -1.566541 trlgG= -2.236961 logG= -0.661631 TDE= -4.401207 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 Sum of eigenvalues= -1021.23304624189 eV TrLogG= -1457.93905378283 eV Ratio to renormalize= 0.999473473696 rho-rho_expected= 0.086395803509 nargs= 1 argi=dmft2.def 19) Finished k-point number 20 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 17) Finished k-point number 18 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 2) Finished k-point number 3 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 32) Finished k-point number 33 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800599176970141 0.802702731932586 0.802511200193596 0.800167868163162 0.803236396553834 0.802472466215012 0.800893372705131 0.802567323213410 0.802614405076146 0.800803780065815 0.802768408261498 0.802517191558691 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038862 tlogG= -0.625250 logG= -0.664111 Density= 3.417455 ETOT(band)= -1.568701 trlgG= -2.241227 logG= -0.664111 TDE= -4.402809 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038863 tlogG= -0.622376 logG= -0.661239 Density= 3.417284 ETOT(band)= -1.566791 trlgG= -2.236303 logG= -0.661239 TDE= -4.400616 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038815 tlogG= -0.625695 logG= -0.664510 Density= 3.417426 ETOT(band)= -1.569154 trlgG= -2.240678 logG= -0.664510 TDE= -4.401837 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038932 tlogG= -0.622698 logG= -0.661630 Density= 3.417678 ETOT(band)= -1.566541 trlgG= -2.236960 logG= -0.661630 TDE= -4.401208 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038883 tlogG= -0.624879 logG= -0.663762 Density= 3.417206 ETOT(band)= -1.568599 trlgG= -2.241648 logG= -0.663762 TDE= -4.403373 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038871 tlogG= -0.620522 logG= -0.659392 Density= 3.417955 ETOT(band)= -1.564884 trlgG= -2.231296 logG= -0.659392 TDE= -4.398011 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038909 tlogG= -0.626540 logG= -0.665450 Density= 3.417246 ETOT(band)= -1.569677 trlgG= -2.244947 logG= -0.665450 TDE= -4.405018 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038721 tlogG= -0.627691 logG= -0.666412 Density= 3.416710 ETOT(band)= -1.571175 trlgG= -2.244862 logG= -0.666412 TDE= -4.403528 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=123 logGD-logG0= -0.038862 tlogG= -0.620491 logG= -0.659354 Density= 3.417448 ETOT(band)= -1.565302 trlgG= -2.231905 logG= -0.659354 TDE= -4.398239 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039046 tlogG= -0.616795 logG= -0.655841 Density= 3.419032 ETOT(band)= -1.561049 trlgG= -2.225003 logG= -0.655841 TDE= -4.396160 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039267 tlogG= -0.613039 logG= -0.652306 Density= 3.419866 ETOT(band)= -1.557231 trlgG= -2.220819 logG= -0.652306 TDE= -4.396201 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038804 tlogG= -0.625380 logG= -0.664184 Density= 3.417034 ETOT(band)= -1.569202 trlgG= -2.241795 logG= -0.664184 TDE= -4.402956 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038805 tlogG= -0.620990 logG= -0.659796 Density= 3.417761 ETOT(band)= -1.565531 trlgG= -2.232112 logG= -0.659796 TDE= -4.398263 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038830 tlogG= -0.623594 logG= -0.662424 Density= 3.417591 ETOT(band)= -1.567472 trlgG= -2.236993 logG= -0.662424 TDE= -4.400375 logGD-logG0= -0.039096 tlogG= -0.620525 logG= -0.659621 Density= 3.419695 ETOT(band)= -1.563500 trlgG= -2.229524 logG= -0.659621 TDE= -4.397448 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038993 tlogG= -0.620314 logG= -0.659307 Density= 3.418761 ETOT(band)= -1.564023 trlgG= -2.230319 logG= -0.659307 TDE= -4.397785 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039011 tlogG= -0.619938 logG= -0.658949 Density= 3.418619 ETOT(band)= -1.563748 trlgG= -2.230443 logG= -0.658949 TDE= -4.398149 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038913 tlogG= -0.618257 logG= -0.657170 Density= 3.418317 ETOT(band)= -1.562875 trlgG= -2.227206 logG= -0.657170 TDE= -4.396443 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038954 tlogG= -0.622444 logG= -0.661398 Density= 3.418333 ETOT(band)= -1.565917 trlgG= -2.234826 logG= -0.661398 TDE= -4.399847 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038970 tlogG= -0.622726 logG= -0.661696 Density= 3.418659 ETOT(band)= -1.565973 trlgG= -2.234331 logG= -0.661696 TDE= -4.399324 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039179 tlogG= -0.613655 logG= -0.652835 Density= 3.419589 ETOT(band)= -1.558038 trlgG= -2.221328 logG= -0.652835 TDE= -4.395951 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039103 tlogG= -0.616283 logG= -0.655386 Density= 3.419133 ETOT(band)= -1.560469 trlgG= -2.225127 logG= -0.655386 TDE= -4.396822 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039324 tlogG= -0.612896 logG= -0.652220 Density= 3.420357 ETOT(band)= -1.556661 trlgG= -2.220332 logG= -0.652220 TDE= -4.396206 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038914 tlogG= -0.624777 logG= -0.663691 Density= 3.417512 ETOT(band)= -1.568196 trlgG= -2.241190 logG= -0.663691 TDE= -4.403239 logGD-logG0= -0.039028 tlogG= -0.619522 logG= -0.658550 Density= 3.418508 ETOT(band)= -1.563409 trlgG= -2.230238 logG= -0.658550 TDE= -4.398253 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039253 tlogG= -0.613497 logG= -0.652750 Density= 3.420137 ETOT(band)= -1.557423 trlgG= -2.220761 logG= -0.652750 TDE= -4.395923 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038982 tlogG= -0.620123 logG= -0.659104 Density= 3.418552 ETOT(band)= -1.563856 trlgG= -2.230146 logG= -0.659104 TDE= -4.397642 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039482 tlogG= -0.609743 logG= -0.649225 Density= 3.421265 ETOT(band)= -1.553389 trlgG= -2.215441 logG= -0.649225 TDE= -4.395061 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.039183 tlogG= -0.614083 logG= -0.653266 Density= 3.419938 ETOT(band)= -1.558153 trlgG= -2.220502 logG= -0.653266 TDE= -4.394983 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039016 tlogG= -0.617472 logG= -0.656488 Density= 3.418324 ETOT(band)= -1.562120 trlgG= -2.227299 logG= -0.656488 TDE= -4.397223 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038728 tlogG= -0.625841 logG= -0.664569 Density= 3.416879 ETOT(band)= -1.569748 trlgG= -2.241371 logG= -0.664569 TDE= -4.402019 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038966 tlogG= -0.617879 logG= -0.656845 Density= 3.418318 ETOT(band)= -1.562513 trlgG= -2.227404 logG= -0.656845 TDE= -4.396967 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038923 tlogG= -0.620122 logG= -0.659046 Density= 3.417974 ETOT(band)= -1.564491 trlgG= -2.231288 logG= -0.659046 TDE= -4.398365 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038809 tlogG= -0.622744 logG= -0.661553 Density= 3.417285 ETOT(band)= -1.567135 trlgG= -2.236203 logG= -0.661553 TDE= -4.400203 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038943 tlogG= -0.622119 logG= -0.661062 Density= 3.418045 ETOT(band)= -1.565789 trlgG= -2.235144 logG= -0.661062 TDE= -4.400263 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.039164 tlogG= -0.615766 logG= -0.654931 Density= 3.419265 ETOT(band)= -1.559867 trlgG= -2.224827 logG= -0.654931 TDE= -4.397086 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.039119 tlogG= -0.617185 logG= -0.656304 Density= 3.419236 ETOT(band)= -1.560984 trlgG= -2.226327 logG= -0.656304 TDE= -4.397189 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038830 tlogG= -0.620746 logG= -0.659576 Density= 3.417599 ETOT(band)= -1.565425 trlgG= -2.231934 logG= -0.659576 TDE= -4.398171 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038880 tlogG= -0.623154 logG= -0.662034 Density= 3.417614 ETOT(band)= -1.567028 trlgG= -2.237042 logG= -0.662034 TDE= -4.400833 logGD-logG0= -0.039361 tlogG= -0.610535 logG= -0.649896 Density= 3.420732 ETOT(band)= -1.554558 trlgG= -2.216352 logG= -0.649896 TDE= -4.394859 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038813 tlogG= -0.627134 logG= -0.665947 Density= 3.416960 ETOT(band)= -1.570459 trlgG= -2.245297 logG= -0.665947 TDE= -4.404634 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038975 tlogG= -0.619682 logG= -0.658657 Density= 3.418007 ETOT(band)= -1.564041 trlgG= -2.230896 logG= -0.658657 TDE= -4.398389 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.039240 tlogG= -0.611253 logG= -0.650493 Density= 3.420221 ETOT(band)= -1.555626 trlgG= -2.216344 logG= -0.650493 TDE= -4.393832 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039122 tlogG= -0.617912 logG= -0.657034 Density= 3.419717 ETOT(band)= -1.561403 trlgG= -2.225798 logG= -0.657034 TDE= -4.396328 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039093 tlogG= -0.614243 logG= -0.653335 Density= 3.419310 ETOT(band)= -1.558812 trlgG= -2.221133 logG= -0.653335 TDE= -4.395025 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039118 tlogG= -0.617557 logG= -0.656675 Density= 3.419465 ETOT(band)= -1.561212 trlgG= -2.226224 logG= -0.656675 TDE= -4.396904 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039035 tlogG= -0.620329 logG= -0.659364 Density= 3.419098 ETOT(band)= -1.563698 trlgG= -2.229836 logG= -0.659364 TDE= -4.397524 logGD-logG0= -0.038761 tlogG= -0.623066 logG= -0.661827 Density= 3.417299 ETOT(band)= -1.567419 trlgG= -2.236107 logG= -0.661827 TDE= -4.399844 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 Sum of eigenvalues= -1021.23327318937 eV TrLogG= -1457.93883118729 eV Ratio to renormalize= 0.999473369986 rho-rho_expected= 0.086412829813 nargs= 1 argi=dmft2.def 11) Finished k-point number 12 1 with #bands= 107 39) Finished k-point number 40 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 45) Finished k-point number 46 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 10) Finished k-point number 11 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 15) Finished k-point number 16 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 47) Finished k-point number 48 1 with #bands= 104 0) Finished k-point number 1 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800560101821470 0.802675405826544 0.802470867159908 0.800128963239261 0.803210332323612 0.802430357808896 0.800854776775446 0.802539398146459 0.802573918723197 0.800765098526924 0.802739136434928 0.802478701087947 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.039152 tlogG= -0.615668 logG= -0.654820 Density= 3.419232 ETOT(band)= -1.559824 trlgG= -2.224665 logG= -0.654820 TDE= -4.397008 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038897 tlogG= -0.626441 logG= -0.665337 Density= 3.417213 ETOT(band)= -1.569635 trlgG= -2.244793 logG= -0.665337 TDE= -4.404949 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038942 tlogG= -0.622344 logG= -0.661286 Density= 3.418304 ETOT(band)= -1.565871 trlgG= -2.234670 logG= -0.661286 TDE= -4.399779 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039080 tlogG= -0.614144 logG= -0.653224 Density= 3.419279 ETOT(band)= -1.558768 trlgG= -2.220973 logG= -0.653224 TDE= -4.394950 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039091 tlogG= -0.616184 logG= -0.655275 Density= 3.419101 ETOT(band)= -1.560425 trlgG= -2.224964 logG= -0.655275 TDE= -4.396745 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038999 tlogG= -0.619838 logG= -0.658837 Density= 3.418588 ETOT(band)= -1.563703 trlgG= -2.230287 logG= -0.658837 TDE= -4.398081 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038981 tlogG= -0.620214 logG= -0.659195 Density= 3.418732 ETOT(band)= -1.563977 trlgG= -2.230164 logG= -0.659195 TDE= -4.397718 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038797 tlogG= -0.622645 logG= -0.661442 Density= 3.417253 ETOT(band)= -1.567092 trlgG= -2.236051 logG= -0.661442 TDE= -4.400136 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038793 tlogG= -0.620891 logG= -0.659684 Density= 3.417730 ETOT(band)= -1.565487 trlgG= -2.231964 logG= -0.659684 TDE= -4.398201 logGD-logG0= -0.038849 tlogG= -0.625150 logG= -0.663999 Density= 3.417424 ETOT(band)= -1.568657 trlgG= -2.241073 logG= -0.663999 TDE= -4.402741 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038958 tlogG= -0.622626 logG= -0.661584 Density= 3.418631 ETOT(band)= -1.565926 trlgG= -2.234177 logG= -0.661584 TDE= -4.399260 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038803 tlogG= -0.625595 logG= -0.664398 Density= 3.417395 ETOT(band)= -1.569109 trlgG= -2.240526 logG= -0.664398 TDE= -4.401772 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038709 tlogG= -0.627591 logG= -0.666299 Density= 3.416678 ETOT(band)= -1.571132 trlgG= -2.244709 logG= -0.666299 TDE= -4.403461 logGD-logG0= -0.038920 tlogG= -0.622599 logG= -0.661519 Density= 3.417646 ETOT(band)= -1.566498 trlgG= -2.236807 logG= -0.661519 TDE= -4.401140 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038868 tlogG= -0.623055 logG= -0.661923 Density= 3.417583 ETOT(band)= -1.566985 trlgG= -2.236889 logG= -0.661923 TDE= -4.400765 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038818 tlogG= -0.620648 logG= -0.659465 Density= 3.417568 ETOT(band)= -1.565382 trlgG= -2.231784 logG= -0.659465 TDE= -4.398106 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038858 tlogG= -0.620422 logG= -0.659281 Density= 3.417924 ETOT(band)= -1.564840 trlgG= -2.231145 logG= -0.659281 TDE= -4.397945 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.039167 tlogG= -0.613557 logG= -0.652724 Density= 3.419557 ETOT(band)= -1.557994 trlgG= -2.221165 logG= -0.652724 TDE= -4.395873 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039034 tlogG= -0.616696 logG= -0.655730 Density= 3.419002 ETOT(band)= -1.561004 trlgG= -2.224843 logG= -0.655730 TDE= -4.396087 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039469 tlogG= -0.609644 logG= -0.649114 Density= 3.421232 ETOT(band)= -1.553346 trlgG= -2.215278 logG= -0.649114 TDE= -4.394981 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038901 tlogG= -0.618158 logG= -0.657059 Density= 3.418286 ETOT(band)= -1.562831 trlgG= -2.227051 logG= -0.657059 TDE= -4.396373 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038850 tlogG= -0.620393 logG= -0.659243 Density= 3.417415 ETOT(band)= -1.565260 trlgG= -2.231756 logG= -0.659243 TDE= -4.398174 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039015 tlogG= -0.619423 logG= -0.658438 Density= 3.418477 ETOT(band)= -1.563365 trlgG= -2.230082 logG= -0.658438 TDE= -4.398183 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038851 tlogG= -0.622277 logG= -0.661128 Density= 3.417251 ETOT(band)= -1.566749 trlgG= -2.236150 logG= -0.661128 TDE= -4.400548 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039003 tlogG= -0.617374 logG= -0.656377 Density= 3.418291 ETOT(band)= -1.562078 trlgG= -2.227141 logG= -0.656377 TDE= -4.397148 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038792 tlogG= -0.625280 logG= -0.664072 Density= 3.417002 ETOT(band)= -1.569159 trlgG= -2.241641 logG= -0.664072 TDE= -4.402888 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039240 tlogG= -0.613398 logG= -0.652639 Density= 3.420106 ETOT(band)= -1.557378 trlgG= -2.220597 logG= -0.652639 TDE= -4.395844 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039227 tlogG= -0.611154 logG= -0.650382 Density= 3.420190 ETOT(band)= -1.555581 trlgG= -2.216181 logG= -0.650382 TDE= -4.393754 logGD-logG0= -0.039110 tlogG= -0.617812 logG= -0.656922 Density= 3.419689 ETOT(band)= -1.561355 trlgG= -2.225639 logG= -0.656922 TDE= -4.396258 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038870 tlogG= -0.624780 logG= -0.663651 Density= 3.417173 ETOT(band)= -1.568557 trlgG= -2.241495 logG= -0.663651 TDE= -4.403305 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038800 tlogG= -0.627035 logG= -0.665835 Density= 3.416928 ETOT(band)= -1.570416 trlgG= -2.245143 logG= -0.665835 TDE= -4.404566 logGD-logG0= -0.038818 tlogG= -0.623494 logG= -0.662312 Density= 3.417560 ETOT(band)= -1.567427 trlgG= -2.236841 logG= -0.662312 TDE= -4.400310 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039107 tlogG= -0.617086 logG= -0.656193 Density= 3.419206 ETOT(band)= -1.560939 trlgG= -2.226166 logG= -0.656193 TDE= -4.397115 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038962 tlogG= -0.619584 logG= -0.658546 Density= 3.417974 ETOT(band)= -1.563998 trlgG= -2.230745 logG= -0.658546 TDE= -4.398322 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.039349 tlogG= -0.610436 logG= -0.649785 Density= 3.420700 ETOT(band)= -1.554514 trlgG= -2.216188 logG= -0.649785 TDE= -4.394780 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038715 tlogG= -0.625742 logG= -0.664457 Density= 3.416847 ETOT(band)= -1.569704 trlgG= -2.241221 logG= -0.664457 TDE= -4.401955 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039312 tlogG= -0.612797 logG= -0.652109 Density= 3.420325 ETOT(band)= -1.556617 trlgG= -2.220168 logG= -0.652109 TDE= -4.396127 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039023 tlogG= -0.620229 logG= -0.659251 Density= 3.419070 ETOT(band)= -1.563651 trlgG= -2.229681 logG= -0.659251 TDE= -4.397459 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039106 tlogG= -0.617458 logG= -0.656564 Density= 3.419436 ETOT(band)= -1.561166 trlgG= -2.226062 logG= -0.656564 TDE= -4.396830 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039084 tlogG= -0.620425 logG= -0.659509 Density= 3.419670 ETOT(band)= -1.563451 trlgG= -2.229369 logG= -0.659509 TDE= -4.397385 logGD-logG0= -0.038911 tlogG= -0.620024 logG= -0.658934 Density= 3.417942 ETOT(band)= -1.564448 trlgG= -2.231136 logG= -0.658934 TDE= -4.398298 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039171 tlogG= -0.613984 logG= -0.653155 Density= 3.419908 ETOT(band)= -1.558107 trlgG= -2.220340 logG= -0.653155 TDE= -4.394907 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039255 tlogG= -0.612941 logG= -0.652196 Density= 3.419833 ETOT(band)= -1.557189 trlgG= -2.220657 logG= -0.652196 TDE= -4.396122 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038953 tlogG= -0.617780 logG= -0.656734 Density= 3.418286 ETOT(band)= -1.562470 trlgG= -2.227246 logG= -0.656734 TDE= -4.396893 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038748 tlogG= -0.622967 logG= -0.661715 Density= 3.417267 ETOT(band)= -1.567375 trlgG= -2.235958 logG= -0.661715 TDE= -4.399782 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038902 tlogG= -0.624677 logG= -0.663579 Density= 3.417480 ETOT(band)= -1.568153 trlgG= -2.241036 logG= -0.663579 TDE= -4.403171 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038931 tlogG= -0.622020 logG= -0.660950 Density= 3.418014 ETOT(band)= -1.565745 trlgG= -2.234989 logG= -0.660950 TDE= -4.400195 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038969 tlogG= -0.620023 logG= -0.658992 Density= 3.418523 ETOT(band)= -1.563811 trlgG= -2.229992 logG= -0.658992 TDE= -4.397576 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Sum of eigenvalues= -1021.20443005461 eV TrLogG= -1457.82014108931 eV Ratio to renormalize= 0.999482454476 rho-rho_expected= 0.084921416590 nargs= 1 argi=dmft2.def 9) Finished k-point number 10 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 25) Finished k-point number 26 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 22) Finished k-point number 23 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 35) Finished k-point number 36 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 21) Finished k-point number 22 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 6) Finished k-point number 7 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 0) Finished k-point number 1 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800538563514842 0.802653412591473 0.802450754046293 0.800107353820916 0.803188807401084 0.802410268543750 0.800833220060466 0.802517647804524 0.802553921680895 0.800743628250429 0.802717718464063 0.802458157046726 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038738 tlogG= -0.624742 logG= -0.663480 Density= 3.416985 ETOT(band)= -1.568586 trlgG= -2.241339 logG= -0.663480 TDE= -4.403164 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038841 tlogG= -0.617437 logG= -0.656278 Density= 3.417807 ETOT(band)= -1.562500 trlgG= -2.227433 logG= -0.656278 TDE= -4.397139 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038705 tlogG= -0.623119 logG= -0.661824 Density= 3.417089 ETOT(band)= -1.567416 trlgG= -2.237191 logG= -0.661824 TDE= -4.400758 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038655 tlogG= -0.623558 logG= -0.662213 Density= 3.417065 ETOT(band)= -1.567861 trlgG= -2.237146 logG= -0.662213 TDE= -4.400304 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038836 tlogG= -0.619902 logG= -0.658738 Density= 3.418099 ETOT(band)= -1.564130 trlgG= -2.230586 logG= -0.658738 TDE= -4.398074 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038687 tlogG= -0.620457 logG= -0.659143 Density= 3.416924 ETOT(band)= -1.565688 trlgG= -2.232056 logG= -0.659143 TDE= -4.398168 logGD-logG0= -0.038800 tlogG= -0.619647 logG= -0.658447 Density= 3.417486 ETOT(band)= -1.564424 trlgG= -2.231042 logG= -0.658447 TDE= -4.398315 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038795 tlogG= -0.622690 logG= -0.661484 Density= 3.418133 ETOT(band)= -1.566361 trlgG= -2.234485 logG= -0.661484 TDE= -4.399255 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038872 tlogG= -0.616759 logG= -0.655631 Density= 3.418519 ETOT(band)= -1.561426 trlgG= -2.225136 logG= -0.655631 TDE= -4.396079 logGD-logG0= -0.038733 tlogG= -0.626506 logG= -0.665239 Density= 3.416716 ETOT(band)= -1.570069 trlgG= -2.245099 logG= -0.665239 TDE= -4.404943 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038707 tlogG= -0.624845 logG= -0.663552 Density= 3.416677 ETOT(band)= -1.568990 trlgG= -2.241799 logG= -0.663552 TDE= -4.403298 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039005 tlogG= -0.613620 logG= -0.652625 Density= 3.419083 ETOT(band)= -1.558408 trlgG= -2.221449 logG= -0.652625 TDE= -4.395864 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038738 tlogG= -0.618222 logG= -0.656960 logGD-logG0= -0.038852 tlogG= -0.619487 logG= -0.658339 Density= 3.417800 ETOT(band)= -1.563256 trlgG= -2.227347 logG= -0.656960 TDE= -4.396366 Density= 3.417991 ETOT(band)= -1.563789 trlgG= -2.230378 logG= -0.658339 TDE= -4.398175 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038928 tlogG= -0.616248 logG= -0.655176 Density= 3.418621 ETOT(band)= -1.560845 trlgG= -2.225254 logG= -0.655176 TDE= -4.396736 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038545 tlogG= -0.627655 logG= -0.666200 Density= 3.416179 ETOT(band)= -1.571569 trlgG= -2.245016 logG= -0.666200 TDE= -4.403455 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038921 tlogG= -0.620489 logG= -0.659410 Density= 3.419172 ETOT(band)= -1.563886 trlgG= -2.229677 logG= -0.659410 TDE= -4.397381 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.038695 tlogG= -0.620486 logG= -0.659182 Density= 3.417433 ETOT(band)= -1.565268 trlgG= -2.231445 logG= -0.659182 TDE= -4.397939 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038686 tlogG= -0.625214 logG= -0.663900 Density= 3.416927 ETOT(band)= -1.569091 trlgG= -2.241377 logG= -0.663900 TDE= -4.402734 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038818 tlogG= -0.620278 logG= -0.659096 Density= 3.418240 ETOT(band)= -1.564407 trlgG= -2.230465 logG= -0.659096 TDE= -4.397711 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038918 tlogG= -0.614207 logG= -0.653126 Density= 3.418803 ETOT(band)= -1.559184 trlgG= -2.221259 logG= -0.653126 TDE= -4.394942 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038639 tlogG= -0.625660 logG= -0.664299 Density= 3.416897 ETOT(band)= -1.569545 trlgG= -2.240833 logG= -0.664299 TDE= -4.401766 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038630 tlogG= -0.620954 logG= -0.659584 Density= 3.417237 ETOT(band)= -1.565917 trlgG= -2.232268 logG= -0.659584 TDE= -4.398197 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038779 tlogG= -0.622408 logG= -0.661187 Density= 3.417809 ETOT(band)= -1.566304 trlgG= -2.234973 logG= -0.661187 TDE= -4.399772 logGD-logG0= -0.038688 tlogG= -0.622341 logG= -0.661028 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Density= 3.416757 ETOT(band)= -1.567180 trlgG= -2.236452 logG= -0.661028 TDE= -4.400540 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038943 tlogG= -0.617521 logG= -0.656464 Density= 3.418950 ETOT(band)= -1.561590 trlgG= -2.226356 logG= -0.656464 TDE= -4.396822 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038629 tlogG= -0.625345 logG= -0.663973 Density= 3.416505 ETOT(band)= -1.569594 trlgG= -2.241946 logG= -0.663973 TDE= -4.402881 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038585 tlogG= -0.623031 logG= -0.661616 Density= 3.416772 ETOT(band)= -1.567808 trlgG= -2.236264 logG= -0.661616 TDE= -4.399777 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038989 tlogG= -0.615732 logG= -0.654721 Density= 3.418754 ETOT(band)= -1.560241 trlgG= -2.224952 logG= -0.654721 TDE= -4.396999 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038947 tlogG= -0.617876 logG= -0.656823 Density= 3.419200 ETOT(band)= -1.561783 trlgG= -2.225937 logG= -0.656823 TDE= -4.396251 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038806 tlogG= -0.620087 logG= -0.658893 Density= 3.418034 ETOT(band)= -1.564237 trlgG= -2.230290 logG= -0.658893 TDE= -4.397569 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038637 tlogG= -0.627100 logG= -0.665736 Density= 3.416430 ETOT(band)= -1.570852 trlgG= -2.245449 logG= -0.665736 TDE= -4.404559 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038655 tlogG= -0.620711 logG= -0.659366 Density= 3.417075 ETOT(band)= -1.565812 trlgG= -2.232086 logG= -0.659366 TDE= -4.398100 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038634 tlogG= -0.622709 logG= -0.661342 Density= 3.416759 ETOT(band)= -1.567524 trlgG= -2.236354 logG= -0.661342 TDE= -4.400129 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038860 tlogG= -0.620292 logG= -0.659152 Density= 3.418577 ETOT(band)= -1.564082 trlgG= -2.229984 logG= -0.659152 TDE= -4.397453 logGD-logG0= -0.039009 tlogG= -0.614047 logG= -0.653056 Density= 3.419432 ETOT(band)= -1.558523 trlgG= -2.220627 logG= -0.653056 TDE= -4.394899 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038552 tlogG= -0.625806 logG= -0.664358 Density= 3.416349 ETOT(band)= -1.570140 trlgG= -2.241528 logG= -0.664358 TDE= -4.401949 logGD-logG0= -0.039066 tlogG= -0.611218 logG= -0.650284 Density= 3.419724 ETOT(band)= -1.555989 trlgG= -2.216460 logG= -0.650284 TDE= -4.393745 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038757 tlogG= -0.622663 logG= -0.661420 Density= 3.417153 ETOT(band)= -1.566928 trlgG= -2.237108 logG= -0.661420 TDE= -4.401133 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038767 tlogG= -0.622084 logG= -0.660851 Density= 3.417522 ETOT(band)= -1.566174 trlgG= -2.235290 logG= -0.660851 TDE= -4.400188 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038748 tlogG= -0.620087 logG= -0.658835 Density= 3.417453 ETOT(band)= -1.564875 trlgG= -2.231436 logG= -0.658835 TDE= -4.398292 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039150 tlogG= -0.612861 logG= -0.652011 Density= 3.419856 ETOT(band)= -1.557027 trlgG= -2.220449 logG= -0.652011 TDE= -4.396118 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.039308 tlogG= -0.609708 logG= -0.649016 Density= 3.420772 ETOT(band)= -1.553748 trlgG= -2.215552 logG= -0.649016 TDE= -4.394973 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039078 tlogG= -0.613462 logG= -0.652540 Density= 3.419633 ETOT(band)= -1.557791 trlgG= -2.220881 logG= -0.652540 TDE= -4.395835 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039093 tlogG= -0.613005 logG= -0.652097 Density= 3.419362 ETOT(band)= -1.557600 trlgG= -2.220940 logG= -0.652097 TDE= -4.396113 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038944 tlogG= -0.617150 logG= -0.656094 Density= 3.418725 ETOT(band)= -1.561359 trlgG= -2.226457 logG= -0.656094 TDE= -4.397107 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039187 tlogG= -0.610500 logG= -0.649687 Density= 3.420236 ETOT(band)= -1.554919 trlgG= -2.216465 logG= -0.649687 TDE= -4.394771 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038791 tlogG= -0.617844 logG= -0.656634 Density= 3.417801 ETOT(band)= -1.562894 trlgG= -2.227539 logG= -0.656634 TDE= -4.396885 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 Sum of eigenvalues= -1021.48257174943 eV TrLogG= -1457.75086439890 eV Ratio to renormalize= 0.999624997249 rho-rho_expected= 0.061523522640 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 20) Finished k-point number 21 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 38) Finished k-point number 39 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 13) Finished k-point number 14 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 11) Finished k-point number 12 1 with #bands= 107 24) Finished k-point number 25 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 43) Finished k-point number 44 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800570068947460 0.802678443627985 0.802485429149655 0.800138558295505 0.803212169105495 0.802447027325975 0.800864296209639 0.802543153409113 0.802588659041638 0.800774686445952 0.802744178685484 0.802491555947404 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038743 tlogG= -0.626559 logG= -0.665302 Density= 3.416742 ETOT(band)= -1.570090 trlgG= -2.245183 logG= -0.665302 TDE= -4.404985 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038928 tlogG= -0.614261 logG= -0.653188 Density= 3.418827 ETOT(band)= -1.559206 trlgG= -2.221348 logG= -0.653188 TDE= -4.394989 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038646 tlogG= -0.627153 logG= -0.665800 Density= 3.416455 ETOT(band)= -1.570873 trlgG= -2.245533 logG= -0.665800 TDE= -4.404601 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038554 tlogG= -0.627709 logG= -0.666264 Density= 3.416204 ETOT(band)= -1.571590 trlgG= -2.245099 logG= -0.666264 TDE= -4.403495 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038696 tlogG= -0.620510 logG= -0.659206 Density= 3.416950 ETOT(band)= -1.565709 trlgG= -2.232137 logG= -0.659206 TDE= -4.398207 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038827 tlogG= -0.620332 logG= -0.659160 Density= 3.418263 ETOT(band)= -1.564431 trlgG= -2.230550 logG= -0.659160 TDE= -4.397752 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038649 tlogG= -0.625714 logG= -0.664362 Density= 3.416921 ETOT(band)= -1.569568 trlgG= -2.240915 logG= -0.664362 TDE= -4.401805 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038846 tlogG= -0.619956 logG= -0.658801 Density= 3.418123 ETOT(band)= -1.564153 trlgG= -2.230671 logG= -0.658801 TDE= -4.398116 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038716 tlogG= -0.624898 logG= -0.663615 Density= 3.416703 ETOT(band)= -1.569011 trlgG= -2.241883 logG= -0.663615 TDE= -4.403340 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038800 tlogG= -0.617897 logG= -0.656697 Density= 3.417826 ETOT(band)= -1.562915 trlgG= -2.227627 logG= -0.656697 TDE= -4.396931 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038881 tlogG= -0.616813 logG= -0.655694 Density= 3.418543 ETOT(band)= -1.561448 trlgG= -2.225225 logG= -0.655694 TDE= -4.396124 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038697 tlogG= -0.622394 logG= -0.661091 Density= 3.416783 ETOT(band)= -1.567201 trlgG= -2.236535 logG= -0.661091 TDE= -4.400582 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038999 tlogG= -0.615785 logG= -0.654784 Density= 3.418780 ETOT(band)= -1.560262 trlgG= -2.225043 logG= -0.654784 TDE= -4.397049 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038664 tlogG= -0.623612 logG= -0.662276 Density= 3.417089 ETOT(band)= -1.567883 trlgG= -2.237228 logG= -0.662276 TDE= -4.400343 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039018 tlogG= -0.614101 logG= -0.653119 Density= 3.419456 ETOT(band)= -1.558546 trlgG= -2.220717 logG= -0.653119 TDE= -4.394946 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038938 tlogG= -0.616301 logG= -0.655239 Density= 3.418646 ETOT(band)= -1.560866 trlgG= -2.225345 logG= -0.655239 TDE= -4.396785 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039197 tlogG= -0.610553 logG= -0.649750 Density= 3.420262 ETOT(band)= -1.554941 trlgG= -2.216556 logG= -0.649750 TDE= -4.394821 logGD-logG0= -0.038788 tlogG= -0.622462 logG= -0.661250 Density= 3.417832 ETOT(band)= -1.566327 trlgG= -2.235058 logG= -0.661250 TDE= -4.399813 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039014 tlogG= -0.613674 logG= -0.652688 Density= 3.419109 ETOT(band)= -1.558429 trlgG= -2.221540 logG= -0.652688 TDE= -4.395913 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038714 tlogG= -0.623173 logG= -0.661887 Density= 3.417114 ETOT(band)= -1.567438 trlgG= -2.237275 logG= -0.661887 TDE= -4.400799 logGD-logG0= -0.038639 tlogG= -0.621008 logG= -0.659647 Density= 3.417261 ETOT(band)= -1.565939 trlgG= -2.232347 logG= -0.659647 TDE= -4.398233 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038777 tlogG= -0.622137 logG= -0.660914 Density= 3.417546 ETOT(band)= -1.566196 trlgG= -2.235375 logG= -0.660914 TDE= -4.400230 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038705 tlogG= -0.620540 logG= -0.659245 Density= 3.417458 ETOT(band)= -1.565290 trlgG= -2.231528 logG= -0.659245 TDE= -4.397979 logGD-logG0= -0.038747 tlogG= -0.618275 logG= -0.657023 Density= 3.417824 ETOT(band)= -1.563278 trlgG= -2.227432 logG= -0.657023 TDE= -4.396409 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039318 tlogG= -0.609761 logG= -0.649079 Density= 3.420799 ETOT(band)= -1.553769 trlgG= -2.215643 logG= -0.649079 TDE= -4.395023 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039075 tlogG= -0.611271 logG= -0.650346 Density= 3.419749 ETOT(band)= -1.556012 trlgG= -2.216551 logG= -0.650346 TDE= -4.393795 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038638 tlogG= -0.625398 logG= -0.664036 Density= 3.416530 ETOT(band)= -1.569615 trlgG= -2.242030 logG= -0.664036 TDE= -4.402923 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038766 tlogG= -0.622716 logG= -0.661483 Density= 3.417179 ETOT(band)= -1.566949 trlgG= -2.237192 logG= -0.661483 TDE= -4.401174 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038850 tlogG= -0.617490 logG= -0.656340 Density= 3.417833 ETOT(band)= -1.562521 trlgG= -2.227521 logG= -0.656340 TDE= -4.397187 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038862 tlogG= -0.619540 logG= -0.658402 Density= 3.418016 ETOT(band)= -1.563811 trlgG= -2.230464 logG= -0.658402 TDE= -4.398219 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038956 tlogG= -0.617930 logG= -0.656886 Density= 3.419222 ETOT(band)= -1.561807 trlgG= -2.226025 logG= -0.656886 TDE= -4.396294 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038748 tlogG= -0.624795 logG= -0.663543 Density= 3.417010 ETOT(band)= -1.568607 trlgG= -2.241424 logG= -0.663543 TDE= -4.403206 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038815 tlogG= -0.620141 logG= -0.658956 Density= 3.418057 ETOT(band)= -1.564260 trlgG= -2.230374 logG= -0.658956 TDE= -4.397610 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038695 tlogG= -0.625268 logG= -0.663964 Density= 3.416951 ETOT(band)= -1.569113 trlgG= -2.241462 logG= -0.663964 TDE= -4.402776 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038664 tlogG= -0.620764 logG= -0.659428 Density= 3.417100 ETOT(band)= -1.565833 trlgG= -2.232167 logG= -0.659428 TDE= -4.398139 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039102 tlogG= -0.613058 logG= -0.652160 Density= 3.419388 ETOT(band)= -1.557621 trlgG= -2.221030 logG= -0.652160 TDE= -4.396163 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038757 tlogG= -0.620141 logG= -0.658898 Density= 3.417478 ETOT(band)= -1.564896 trlgG= -2.231518 logG= -0.658898 TDE= -4.398333 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039159 tlogG= -0.612914 logG= -0.652073 Density= 3.419882 ETOT(band)= -1.557048 trlgG= -2.220541 logG= -0.652073 TDE= -4.396168 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038930 tlogG= -0.620543 logG= -0.659473 Density= 3.419192 ETOT(band)= -1.563911 trlgG= -2.229761 logG= -0.659473 TDE= -4.397418 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038809 tlogG= -0.619701 logG= -0.658510 Density= 3.417512 ETOT(band)= -1.564444 trlgG= -2.231125 logG= -0.658510 TDE= -4.398356 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038953 tlogG= -0.617203 logG= -0.656157 Density= 3.418749 ETOT(band)= -1.561381 trlgG= -2.226546 logG= -0.656157 TDE= -4.397153 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039088 tlogG= -0.613515 logG= -0.652603 Density= 3.419658 ETOT(band)= -1.557814 trlgG= -2.220973 logG= -0.652603 TDE= -4.395885 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038804 tlogG= -0.622744 logG= -0.661548 Density= 3.418156 ETOT(band)= -1.566385 trlgG= -2.234568 logG= -0.661548 TDE= -4.399293 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038561 tlogG= -0.625860 logG= -0.664421 Density= 3.416374 ETOT(band)= -1.570161 trlgG= -2.241609 logG= -0.664421 TDE= -4.401988 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038869 tlogG= -0.620347 logG= -0.659216 Density= 3.418599 ETOT(band)= -1.564106 trlgG= -2.230068 logG= -0.659216 TDE= -4.397492 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038595 tlogG= -0.623084 logG= -0.661679 Density= 3.416796 ETOT(band)= -1.567830 trlgG= -2.236344 logG= -0.661679 TDE= -4.399814 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038643 tlogG= -0.622762 logG= -0.661405 Density= 3.416784 ETOT(band)= -1.567545 trlgG= -2.236437 logG= -0.661405 TDE= -4.400170 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038952 tlogG= -0.617575 logG= -0.656528 Density= 3.418973 ETOT(band)= -1.561613 trlgG= -2.226446 logG= -0.656528 TDE= -4.396868 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1021.49689240430 eV TrLogG= -1457.82018791927 eV Ratio to renormalize= 0.999617802416 rho-rho_expected= 0.062704369254 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 42) Finished k-point number 43 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 32) Finished k-point number 33 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 2) Finished k-point number 3 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 10) Finished k-point number 11 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 17) Finished k-point number 18 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 34) Finished k-point number 35 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 41) Finished k-point number 42 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 24) Finished k-point number 25 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800580577896314 0.802691414206178 0.802500573255019 0.800149084477219 0.803225323480476 0.802461875241802 0.800874768038746 0.802556115572906 0.802603779020915 0.800785139449495 0.802757134608401 0.802506645134570 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038750 tlogG= -0.618270 logG= -0.657020 Density= 3.417832 ETOT(band)= -1.563279 trlgG= -2.227432 logG= -0.657020 TDE= -4.396418 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038750 tlogG= -0.624790 logG= -0.663541 Density= 3.417018 ETOT(band)= -1.568608 trlgG= -2.241423 logG= -0.663541 TDE= -4.403214 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038557 tlogG= -0.627704 logG= -0.666261 Density= 3.416212 ETOT(band)= -1.571591 trlgG= -2.245098 logG= -0.666261 TDE= -4.403503 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038830 tlogG= -0.620327 logG= -0.659157 Density= 3.418270 ETOT(band)= -1.564432 trlgG= -2.230549 logG= -0.659157 TDE= -4.397760 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038700 tlogG= -0.622389 logG= -0.661089 Density= 3.416791 ETOT(band)= -1.567202 trlgG= -2.236535 logG= -0.661089 TDE= -4.400591 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038707 tlogG= -0.620535 logG= -0.659242 Density= 3.417465 ETOT(band)= -1.565292 trlgG= -2.231526 logG= -0.659242 TDE= -4.397987 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039002 tlogG= -0.615779 logG= -0.654781 Density= 3.418788 ETOT(band)= -1.560263 trlgG= -2.225045 logG= -0.654781 TDE= -4.397060 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=118 logGD-logG0= -0.038564 tlogG= -0.625855 logG= -0.664419 Density= 3.416382 ETOT(band)= -1.570163 trlgG= -2.241607 logG= -0.664419 TDE= -4.401995 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038745 tlogG= -0.626554 logG= -0.665299 Density= 3.416750 ETOT(band)= -1.570091 trlgG= -2.245181 logG= -0.665299 TDE= -4.404993 logGD-logG0= -0.039017 tlogG= -0.613668 logG= -0.652685 Density= 3.419117 ETOT(band)= -1.558431 trlgG= -2.221542 logG= -0.652685 TDE= -4.395925 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038884 tlogG= -0.616808 logG= -0.655691 Density= 3.418551 ETOT(band)= -1.561449 trlgG= -2.225226 logG= -0.655691 TDE= -4.396134 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038667 tlogG= -0.623607 logG= -0.662274 Density= 3.417097 ETOT(band)= -1.567884 trlgG= -2.237227 logG= -0.662274 TDE= -4.400351 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039162 tlogG= -0.612909 logG= -0.652071 Density= 3.419890 ETOT(band)= -1.557049 trlgG= -2.220542 logG= -0.652071 TDE= -4.396179 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038651 tlogG= -0.625708 logG= -0.664360 Density= 3.416929 ETOT(band)= -1.569569 trlgG= -2.240914 logG= -0.664360 TDE= -4.401813 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038806 tlogG= -0.622739 logG= -0.661545 Density= 3.418163 ETOT(band)= -1.566387 trlgG= -2.234567 logG= -0.661545 TDE= -4.399300 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039105 tlogG= -0.613052 logG= -0.652157 Density= 3.419397 ETOT(band)= -1.557622 trlgG= -2.221032 logG= -0.652157 TDE= -4.396174 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038848 tlogG= -0.619951 logG= -0.658799 Density= 3.418131 ETOT(band)= -1.564154 trlgG= -2.230671 logG= -0.658799 TDE= -4.398125 logGD-logG0= -0.038649 tlogG= -0.627148 logG= -0.665797 Density= 3.416463 ETOT(band)= -1.570874 trlgG= -2.245532 logG= -0.665797 TDE= -4.404609 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038699 tlogG= -0.620505 logG= -0.659204 Density= 3.416958 ETOT(band)= -1.565710 trlgG= -2.232135 logG= -0.659204 TDE= -4.398215 logGD-logG0= -0.038955 tlogG= -0.617570 logG= -0.656525 Density= 3.418981 ETOT(band)= -1.561614 trlgG= -2.226447 logG= -0.656525 TDE= -4.396878 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038791 tlogG= -0.622457 logG= -0.661248 Density= 3.417840 ETOT(band)= -1.566328 trlgG= -2.235058 logG= -0.661248 TDE= -4.399822 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038803 tlogG= -0.617892 logG= -0.656695 Density= 3.417834 ETOT(band)= -1.562916 trlgG= -2.227628 logG= -0.656695 TDE= -4.396941 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038940 tlogG= -0.616296 logG= -0.655236 Density= 3.418654 ETOT(band)= -1.560868 trlgG= -2.225346 logG= -0.655236 TDE= -4.396796 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038864 tlogG= -0.619535 logG= -0.658399 Density= 3.418024 ETOT(band)= -1.563812 trlgG= -2.230463 logG= -0.658399 TDE= -4.398228 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038719 tlogG= -0.624893 logG= -0.663612 Density= 3.416711 ETOT(band)= -1.569012 trlgG= -2.241882 logG= -0.663612 TDE= -4.403348 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038698 tlogG= -0.625263 logG= -0.663961 Density= 3.416959 ETOT(band)= -1.569114 trlgG= -2.241461 logG= -0.663961 TDE= -4.402784 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038641 tlogG= -0.625393 logG= -0.664034 Density= 3.416538 ETOT(band)= -1.569616 trlgG= -2.242029 logG= -0.664034 TDE= -4.402931 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038760 tlogG= -0.620136 logG= -0.658895 Density= 3.417486 ETOT(band)= -1.564898 trlgG= -2.231517 logG= -0.658895 TDE= -4.398340 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038642 tlogG= -0.621003 logG= -0.659645 Density= 3.417269 ETOT(band)= -1.565941 trlgG= -2.232345 logG= -0.659645 TDE= -4.398240 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038769 tlogG= -0.622711 logG= -0.661480 Density= 3.417187 ETOT(band)= -1.566950 trlgG= -2.237191 logG= -0.661480 TDE= -4.401183 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038933 tlogG= -0.620538 logG= -0.659471 Density= 3.419200 ETOT(band)= -1.563913 trlgG= -2.229760 logG= -0.659471 TDE= -4.397425 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038812 tlogG= -0.619695 logG= -0.658507 Density= 3.417520 ETOT(band)= -1.564446 trlgG= -2.231124 logG= -0.658507 TDE= -4.398365 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038667 tlogG= -0.620759 logG= -0.659426 Density= 3.417108 ETOT(band)= -1.565835 trlgG= -2.232165 logG= -0.659426 TDE= -4.398146 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038597 tlogG= -0.623079 logG= -0.661677 Density= 3.416804 ETOT(band)= -1.567831 trlgG= -2.236342 logG= -0.661677 TDE= -4.399821 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038930 tlogG= -0.614256 logG= -0.653186 Density= 3.418836 ETOT(band)= -1.559207 trlgG= -2.221350 logG= -0.653186 TDE= -4.394999 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039320 tlogG= -0.609756 logG= -0.649076 Density= 3.420807 ETOT(band)= -1.553770 trlgG= -2.215644 logG= -0.649076 TDE= -4.395034 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039199 tlogG= -0.610548 logG= -0.649747 Density= 3.420271 ETOT(band)= -1.554942 trlgG= -2.216558 logG= -0.649747 TDE= -4.394832 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038956 tlogG= -0.617198 logG= -0.656154 Density= 3.418757 ETOT(band)= -1.561382 trlgG= -2.226547 logG= -0.656154 TDE= -4.397163 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038818 tlogG= -0.620136 logG= -0.658954 Density= 3.418065 ETOT(band)= -1.564262 trlgG= -2.230373 logG= -0.658954 TDE= -4.397618 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038717 tlogG= -0.623167 logG= -0.661884 Density= 3.417122 ETOT(band)= -1.567439 trlgG= -2.237274 logG= -0.661884 TDE= -4.400808 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039078 tlogG= -0.611266 logG= -0.650344 Density= 3.419757 ETOT(band)= -1.556013 trlgG= -2.216552 logG= -0.650344 TDE= -4.393806 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038646 tlogG= -0.622757 logG= -0.661403 Density= 3.416791 ETOT(band)= -1.567546 trlgG= -2.236436 logG= -0.661403 TDE= -4.400178 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039090 tlogG= -0.613510 logG= -0.652601 Density= 3.419666 ETOT(band)= -1.557815 trlgG= -2.220975 logG= -0.652601 TDE= -4.395896 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038779 tlogG= -0.622132 logG= -0.660912 logGD-logG0= -0.038959 tlogG= -0.617925 logG= -0.656884 Density= 3.419229 ETOT(band)= -1.561809 trlgG= -2.226026 logG= -0.656884 TDE= -4.396302 Density= 3.417554 ETOT(band)= -1.566198 trlgG= -2.235374 logG= -0.660912 TDE= -4.400238 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038853 tlogG= -0.617485 logG= -0.656338 Density= 3.417841 ETOT(band)= -1.562522 trlgG= -2.227522 logG= -0.656338 TDE= -4.397197 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038871 tlogG= -0.620342 logG= -0.659213 Density= 3.418606 ETOT(band)= -1.564108 trlgG= -2.230067 logG= -0.659213 TDE= -4.397500 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039021 tlogG= -0.614096 logG= -0.653117 Density= 3.419464 ETOT(band)= -1.558548 trlgG= -2.220719 logG= -0.653117 TDE= -4.394957 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 Sum of eigenvalues= -1021.49774164557 eV TrLogG= -1457.82437303087 eV Ratio to renormalize= 0.999615455081 rho-rho_expected= 0.063089627545 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 34) Finished k-point number 35 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 20) Finished k-point number 21 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 39) Finished k-point number 40 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 32) Finished k-point number 33 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800582716536858 0.802695454198548 0.802504167519936 0.800151196199748 0.803229339485570 0.802465461228700 0.800876920024649 0.802560155400501 0.802607339832491 0.800787242355868 0.802761034811666 0.802510396418018 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038941 tlogG= -0.616287 logG= -0.655227 Density= 3.418656 ETOT(band)= -1.560873 trlgG= -2.225343 logG= -0.655227 TDE= -4.396803 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038760 tlogG= -0.620126 logG= -0.658886 Density= 3.417487 ETOT(band)= -1.564903 trlgG= -2.231513 logG= -0.658886 TDE= -4.398347 logGD-logG0= -0.038557 tlogG= -0.627695 logG= -0.666252 Density= 3.416214 ETOT(band)= -1.571596 trlgG= -2.245094 logG= -0.666252 TDE= -4.403510 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038641 tlogG= -0.625384 logG= -0.664025 Density= 3.416540 ETOT(band)= -1.569621 trlgG= -2.242025 logG= -0.664025 TDE= -4.402938 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038699 tlogG= -0.620495 logG= -0.659194 Density= 3.416959 ETOT(band)= -1.565715 trlgG= -2.232132 logG= -0.659194 TDE= -4.398221 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038746 tlogG= -0.626545 logG= -0.665290 Density= 3.416752 ETOT(band)= -1.570096 trlgG= -2.245178 logG= -0.665290 TDE= -4.405000 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038719 tlogG= -0.624883 logG= -0.663603 Density= 3.416713 ETOT(band)= -1.569017 trlgG= -2.241878 logG= -0.663603 TDE= -4.403355 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.039017 tlogG= -0.613659 logG= -0.652676 Density= 3.419119 ETOT(band)= -1.558435 trlgG= -2.221538 logG= -0.652676 TDE= -4.395932 logGD-logG0= -0.038652 tlogG= -0.625699 logG= -0.664351 Density= 3.416930 ETOT(band)= -1.569574 trlgG= -2.240910 logG= -0.664351 TDE= -4.401819 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038791 tlogG= -0.622448 logG= -0.661239 Density= 3.417841 ETOT(band)= -1.566333 trlgG= -2.235054 logG= -0.661239 TDE= -4.399828 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038931 tlogG= -0.614246 logG= -0.653177 Density= 3.418837 ETOT(band)= -1.559212 trlgG= -2.221346 logG= -0.653177 TDE= -4.395006 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038700 tlogG= -0.622379 logG= -0.661080 Density= 3.416793 ETOT(band)= -1.567207 trlgG= -2.236531 logG= -0.661080 TDE= -4.400597 logGD-logG0= -0.038955 tlogG= -0.617561 logG= -0.656516 Density= 3.418983 ETOT(band)= -1.561619 trlgG= -2.226444 logG= -0.656516 TDE= -4.396885 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038597 tlogG= -0.623070 logG= -0.661668 Density= 3.416806 ETOT(band)= -1.567836 trlgG= -2.236338 logG= -0.661668 TDE= -4.399827 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038708 tlogG= -0.620525 logG= -0.659233 Density= 3.417467 ETOT(band)= -1.565297 trlgG= -2.231523 logG= -0.659233 TDE= -4.397993 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038649 tlogG= -0.627139 logG= -0.665788 Density= 3.416465 ETOT(band)= -1.570879 trlgG= -2.245529 logG= -0.665788 TDE= -4.404616 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.039321 tlogG= -0.609746 logG= -0.649067 Density= 3.420809 ETOT(band)= -1.553774 trlgG= -2.215641 logG= -0.649067 TDE= -4.395041 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038830 tlogG= -0.620318 logG= -0.659148 Density= 3.418272 ETOT(band)= -1.564437 trlgG= -2.230545 logG= -0.659148 TDE= -4.397767 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038667 tlogG= -0.623598 logG= -0.662265 Density= 3.417099 ETOT(band)= -1.567889 trlgG= -2.237223 logG= -0.662265 TDE= -4.400357 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038884 tlogG= -0.616798 logG= -0.655682 Density= 3.418553 ETOT(band)= -1.561454 trlgG= -2.225222 logG= -0.655682 TDE= -4.396141 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038564 tlogG= -0.625845 logG= -0.664410 Density= 3.416384 ETOT(band)= -1.570168 trlgG= -2.241603 logG= -0.664410 TDE= -4.402002 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038959 tlogG= -0.617916 logG= -0.656875 Density= 3.419231 ETOT(band)= -1.561814 trlgG= -2.226022 logG= -0.656875 TDE= -4.396309 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039002 tlogG= -0.615770 logG= -0.654772 Density= 3.418790 ETOT(band)= -1.560268 trlgG= -2.225041 logG= -0.654772 TDE= -4.397067 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=118 logGD-logG0= -0.038642 tlogG= -0.620994 logG= -0.659636 Density= 3.417270 ETOT(band)= -1.565946 trlgG= -2.232341 logG= -0.659636 TDE= -4.398246 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038848 tlogG= -0.619941 logG= -0.658790 Density= 3.418133 ETOT(band)= -1.564159 trlgG= -2.230667 logG= -0.658790 TDE= -4.398131 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039078 tlogG= -0.611257 logG= -0.650335 Density= 3.419759 ETOT(band)= -1.556017 trlgG= -2.216549 logG= -0.650335 TDE= -4.393813 logGD-logG0= -0.039105 tlogG= -0.613043 logG= -0.652148 Density= 3.419398 ETOT(band)= -1.557627 trlgG= -2.221028 logG= -0.652148 TDE= -4.396181 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038812 tlogG= -0.619686 logG= -0.658498 Density= 3.417522 ETOT(band)= -1.564450 trlgG= -2.231120 logG= -0.658498 TDE= -4.398371 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038646 tlogG= -0.622748 logG= -0.661394 Density= 3.416793 ETOT(band)= -1.567551 trlgG= -2.236432 logG= -0.661394 TDE= -4.400185 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038865 tlogG= -0.619525 logG= -0.658390 Density= 3.418025 ETOT(band)= -1.563817 trlgG= -2.230460 logG= -0.658390 TDE= -4.398235 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=120 logGD-logG0= -0.038750 tlogG= -0.618261 logG= -0.657011 Density= 3.417834 ETOT(band)= -1.563284 trlgG= -2.227429 logG= -0.657011 TDE= -4.396425 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038698 tlogG= -0.625254 logG= -0.663952 Density= 3.416961 ETOT(band)= -1.569119 trlgG= -2.241458 logG= -0.663952 TDE= -4.402791 logGD-logG0= -0.038872 tlogG= -0.620332 logG= -0.659204 Density= 3.418608 ETOT(band)= -1.564112 trlgG= -2.230063 logG= -0.659204 TDE= -4.397506 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038769 tlogG= -0.622702 logG= -0.661471 Density= 3.417188 ETOT(band)= -1.566955 trlgG= -2.237187 logG= -0.661471 TDE= -4.401190 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038717 tlogG= -0.623158 logG= -0.661875 Density= 3.417123 ETOT(band)= -1.567444 trlgG= -2.237270 logG= -0.661875 TDE= -4.400814 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038780 tlogG= -0.622123 logG= -0.660903 Density= 3.417556 ETOT(band)= -1.566202 trlgG= -2.235370 logG= -0.660903 TDE= -4.400245 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.039162 tlogG= -0.612899 logG= -0.652061 Density= 3.419892 ETOT(band)= -1.557054 trlgG= -2.220539 logG= -0.652061 TDE= -4.396186 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038853 tlogG= -0.617476 logG= -0.656329 Density= 3.417843 ETOT(band)= -1.562527 trlgG= -2.227519 logG= -0.656329 TDE= -4.397204 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038807 tlogG= -0.622730 logG= -0.661536 Density= 3.418165 ETOT(band)= -1.566392 trlgG= -2.234563 logG= -0.661536 TDE= -4.399307 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.039021 tlogG= -0.614086 logG= -0.653108 Density= 3.419466 ETOT(band)= -1.558553 trlgG= -2.220715 logG= -0.653108 TDE= -4.394964 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039091 tlogG= -0.613501 logG= -0.652591 Density= 3.419668 ETOT(band)= -1.557819 trlgG= -2.220971 logG= -0.652591 TDE= -4.395903 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038803 tlogG= -0.617882 logG= -0.656686 Density= 3.417836 ETOT(band)= -1.562921 trlgG= -2.227625 logG= -0.656686 TDE= -4.396948 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038933 tlogG= -0.620529 logG= -0.659462 Density= 3.419201 ETOT(band)= -1.563918 trlgG= -2.229755 logG= -0.659462 TDE= -4.397431 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038818 tlogG= -0.620126 logG= -0.658945 Density= 3.418067 ETOT(band)= -1.564267 trlgG= -2.230369 logG= -0.658945 TDE= -4.397624 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038956 tlogG= -0.617189 logG= -0.656145 Density= 3.418759 ETOT(band)= -1.561387 trlgG= -2.226543 logG= -0.656145 TDE= -4.397170 logGD-logG0= -0.038751 tlogG= -0.624781 logG= -0.663531 Density= 3.417020 ETOT(band)= -1.568613 trlgG= -2.241419 logG= -0.663531 TDE= -4.403221 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039200 tlogG= -0.610539 logG= -0.649738 Density= 3.420273 ETOT(band)= -1.554946 trlgG= -2.216554 logG= -0.649738 TDE= -4.394839 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038667 tlogG= -0.620750 logG= -0.659417 Density= 3.417110 ETOT(band)= -1.565840 trlgG= -2.232162 logG= -0.659417 TDE= -4.398153 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 Sum of eigenvalues= -1021.50092563272 eV TrLogG= -1457.82285838741 eV Ratio to renormalize= 0.999614957234 rho-rho_expected= 0.063171337370 nargs= 1 argi=dmft2.def 6) Finished k-point number 7 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 107 2) Finished k-point number 3 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 15) Finished k-point number 16 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 33) Finished k-point number 34 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 46) Finished k-point number 47 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 14) Finished k-point number 15 1 with #bands= 105 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800593362627522 0.802708357766231 0.802517748835548 0.800161858726647 0.803242353435815 0.802478836655372 0.800887489690498 0.802573123956235 0.802620894512941 0.800797832467856 0.802773951666877 0.802523920869850 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038547 tlogG= -0.620494 logG= -0.659041 Density= 3.417337 ETOT(band)= -1.565419 trlgG= -2.231691 logG= -0.659041 TDE= -4.398246 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038406 tlogG= -0.627693 logG= -0.666100 Density= 3.416595 ETOT(band)= -1.571295 trlgG= -2.244653 logG= -0.666100 TDE= -4.403536 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038494 tlogG= -0.622747 logG= -0.661241 Density= 3.417172 ETOT(band)= -1.567253 trlgG= -2.235992 logG= -0.661241 TDE= -4.400210 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038556 tlogG= -0.620524 logG= -0.659080 Density= 3.417845 ETOT(band)= -1.564999 trlgG= -2.231082 logG= -0.659080 TDE= -4.398018 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038697 tlogG= -0.619940 logG= -0.658637 Density= 3.418514 ETOT(band)= -1.563859 trlgG= -2.230224 logG= -0.658637 TDE= -4.398157 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038660 tlogG= -0.619685 logG= -0.658345 Density= 3.417900 ETOT(band)= -1.564155 trlgG= -2.230680 logG= -0.658345 TDE= -4.398397 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038595 tlogG= -0.626543 logG= -0.665138 Density= 3.417136 ETOT(band)= -1.569795 trlgG= -2.244734 logG= -0.665138 TDE= -4.405026 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038788 tlogG= -0.616285 logG= -0.655073 Density= 3.419034 ETOT(band)= -1.560577 trlgG= -2.224906 logG= -0.655073 TDE= -4.396831 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038720 tlogG= -0.620331 logG= -0.659051 Density= 3.418994 ETOT(band)= -1.563808 trlgG= -2.229616 logG= -0.659051 TDE= -4.397531 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038568 tlogG= -0.624882 logG= -0.663451 Density= 3.417094 ETOT(band)= -1.568717 trlgG= -2.241436 logG= -0.663451 TDE= -4.403381 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038515 tlogG= -0.623597 logG= -0.662112 Density= 3.417480 ETOT(band)= -1.567588 trlgG= -2.236780 logG= -0.662112 TDE= -4.400382 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038500 tlogG= -0.625698 logG= -0.664198 Density= 3.417313 ETOT(band)= -1.569271 trlgG= -2.240466 logG= -0.664198 TDE= -4.401844 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038731 tlogG= -0.616797 logG= -0.655528 Density= 3.418932 ETOT(band)= -1.561156 trlgG= -2.224782 logG= -0.655528 TDE= -4.396169 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038549 tlogG= -0.622378 logG= -0.660927 Density= 3.417172 ETOT(band)= -1.566909 trlgG= -2.236090 logG= -0.660927 TDE= -4.400623 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038490 tlogG= -0.620993 logG= -0.659483 Density= 3.417649 ETOT(band)= -1.565647 trlgG= -2.231899 logG= -0.659483 TDE= -4.398270 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038598 tlogG= -0.618260 logG= -0.656858 Density= 3.418211 ETOT(band)= -1.562988 trlgG= -2.226990 logG= -0.656858 TDE= -4.396451 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039047 tlogG= -0.610537 logG= -0.649584 Density= 3.420649 ETOT(band)= -1.554654 trlgG= -2.216117 logG= -0.649584 TDE= -4.394868 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038865 tlogG= -0.613658 logG= -0.652522 Density= 3.419494 ETOT(band)= -1.558142 trlgG= -2.221102 logG= -0.652522 TDE= -4.395960 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038655 tlogG= -0.622729 logG= -0.661383 Density= 3.418553 ETOT(band)= -1.566085 trlgG= -2.234113 logG= -0.661383 TDE= -4.399331 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038781 tlogG= -0.620528 logG= -0.659309 Density= 3.419594 ETOT(band)= -1.563607 trlgG= -2.229301 logG= -0.659309 TDE= -4.397455 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038868 tlogG= -0.614085 logG= -0.652953 Density= 3.419847 ETOT(band)= -1.558253 trlgG= -2.220274 logG= -0.652953 TDE= -4.394992 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038850 tlogG= -0.615769 logG= -0.654618 Density= 3.419166 ETOT(band)= -1.559975 trlgG= -2.224605 logG= -0.654618 TDE= -4.397096 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=116 logGD-logG0= -0.038778 tlogG= -0.614245 logG= -0.653023 Density= 3.419214 ETOT(band)= -1.558917 trlgG= -2.220909 logG= -0.653023 TDE= -4.395034 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038953 tlogG= -0.613041 logG= -0.651994 Density= 3.419773 ETOT(band)= -1.557335 trlgG= -2.220593 logG= -0.651994 TDE= -4.396210 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038628 tlogG= -0.622122 logG= -0.660750 Density= 3.417936 ETOT(band)= -1.565905 trlgG= -2.234929 logG= -0.660750 TDE= -4.400271 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038639 tlogG= -0.622447 logG= -0.661086 Density= 3.418225 ETOT(band)= -1.566031 trlgG= -2.234610 logG= -0.661086 TDE= -4.399854 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038925 tlogG= -0.611255 logG= -0.650180 Density= 3.420136 ETOT(band)= -1.555723 trlgG= -2.216111 logG= -0.650180 TDE= -4.393841 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038498 tlogG= -0.627137 logG= -0.665636 Density= 3.416847 ETOT(band)= -1.570578 trlgG= -2.245086 logG= -0.665636 TDE= -4.404642 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038803 tlogG= -0.617560 logG= -0.656363 Density= 3.419366 ETOT(band)= -1.561319 trlgG= -2.226001 logG= -0.656363 TDE= -4.396912 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038807 tlogG= -0.617914 logG= -0.656721 Density= 3.419619 ETOT(band)= -1.561508 trlgG= -2.225574 logG= -0.656721 TDE= -4.396336 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038804 tlogG= -0.617188 logG= -0.655992 Density= 3.419136 ETOT(band)= -1.561092 trlgG= -2.226106 logG= -0.655992 TDE= -4.397198 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038701 tlogG= -0.617475 logG= -0.656175 Density= 3.418219 ETOT(band)= -1.562233 trlgG= -2.227082 logG= -0.656175 TDE= -4.397232 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039010 tlogG= -0.612898 logG= -0.651908 Density= 3.420268 ETOT(band)= -1.556762 trlgG= -2.220103 logG= -0.651908 TDE= -4.396215 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038547 tlogG= -0.625252 logG= -0.663800 Density= 3.417343 ETOT(band)= -1.568818 trlgG= -2.241015 logG= -0.663800 TDE= -4.402817 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038515 tlogG= -0.620749 logG= -0.659264 Density= 3.417488 ETOT(band)= -1.565542 trlgG= -2.231720 logG= -0.659264 TDE= -4.398177 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038678 tlogG= -0.620317 logG= -0.658995 Density= 3.418656 ETOT(band)= -1.564134 trlgG= -2.230100 logG= -0.658995 TDE= -4.397792 logGD-logG0= -0.038490 tlogG= -0.625382 logG= -0.663872 Density= 3.416920 ETOT(band)= -1.569322 trlgG= -2.241584 logG= -0.663872 TDE= -4.402964 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038600 tlogG= -0.624779 logG= -0.663379 Density= 3.417401 ETOT(band)= -1.568313 trlgG= -2.240977 logG= -0.663379 TDE= -4.403247 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038666 tlogG= -0.620125 logG= -0.658792 Density= 3.418445 ETOT(band)= -1.563969 trlgG= -2.229929 logG= -0.658792 TDE= -4.397650 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038713 tlogG= -0.619524 logG= -0.658237 Density= 3.418404 ETOT(band)= -1.563521 trlgG= -2.230021 logG= -0.658237 TDE= -4.398261 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038608 tlogG= -0.620125 logG= -0.658733 Density= 3.417865 ETOT(band)= -1.564606 trlgG= -2.231073 logG= -0.658733 TDE= -4.398372 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038413 tlogG= -0.625844 logG= -0.664257 Density= 3.416763 ETOT(band)= -1.569868 trlgG= -2.241162 logG= -0.664257 TDE= -4.402027 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038565 tlogG= -0.623157 logG= -0.661722 Density= 3.417504 ETOT(band)= -1.567145 trlgG= -2.236828 logG= -0.661722 TDE= -4.400840 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038446 tlogG= -0.623069 logG= -0.661515 Density= 3.417185 ETOT(band)= -1.567537 trlgG= -2.235896 logG= -0.661515 TDE= -4.399851 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=122 logGD-logG0= -0.038618 tlogG= -0.622700 logG= -0.661318 Density= 3.417569 ETOT(band)= -1.566657 trlgG= -2.236746 logG= -0.661318 TDE= -4.401215 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039168 tlogG= -0.609745 logG= -0.648912 Density= 3.421184 ETOT(band)= -1.553484 trlgG= -2.215205 logG= -0.648912 TDE= -4.395070 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038938 tlogG= -0.613500 logG= -0.652437 Density= 3.420047 ETOT(band)= -1.557524 trlgG= -2.220532 logG= -0.652437 TDE= -4.395932 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=118 logGD-logG0= -0.038651 tlogG= -0.617881 logG= -0.656532 Density= 3.418213 ETOT(band)= -1.562626 trlgG= -2.227188 logG= -0.656532 TDE= -4.396976 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 Sum of eigenvalues= -1021.30605988202 eV TrLogG= -1457.73997693325 eV Ratio to renormalize= 0.999503858312 rho-rho_expected= 0.081407626617 nargs= 1 argi=dmft2.def 15) Finished k-point number 16 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 30) Finished k-point number 31 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 12) Finished k-point number 13 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 40) Finished k-point number 41 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 44) Finished k-point number 45 1 with #bands= 107 21) Finished k-point number 22 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 34) Finished k-point number 35 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 4) Finished k-point number 5 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 46) Finished k-point number 47 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800582909235240 0.802696739474077 0.802505115618782 0.800151379306385 0.803230637144861 0.802466402408885 0.800877102781076 0.802561450410255 0.802608288032016 0.800787414790443 0.802762301627005 0.802511371697001 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038592 tlogG= -0.626545 logG= -0.665137 Density= 3.417127 ETOT(band)= -1.569782 trlgG= -2.244720 logG= -0.665137 TDE= -4.405005 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038862 tlogG= -0.613660 logG= -0.652521 Density= 3.419486 ETOT(band)= -1.558130 trlgG= -2.221086 logG= -0.652521 TDE= -4.395938 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038922 tlogG= -0.611257 logG= -0.650179 Density= 3.420127 ETOT(band)= -1.555710 trlgG= -2.216095 logG= -0.650179 TDE= -4.393819 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038404 tlogG= -0.627695 logG= -0.666099 Density= 3.416586 ETOT(band)= -1.571283 trlgG= -2.244639 logG= -0.666099 TDE= -4.403516 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038950 tlogG= -0.613043 logG= -0.651993 Density= 3.419764 ETOT(band)= -1.557323 trlgG= -2.220577 logG= -0.651993 TDE= -4.396187 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038513 tlogG= -0.623598 logG= -0.662111 Density= 3.417471 ETOT(band)= -1.567575 trlgG= -2.236766 logG= -0.662111 TDE= -4.400363 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038658 tlogG= -0.619687 logG= -0.658344 Density= 3.417891 ETOT(band)= -1.564142 trlgG= -2.230667 logG= -0.658344 TDE= -4.398377 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038498 tlogG= -0.625700 logG= -0.664197 Density= 3.417305 ETOT(band)= -1.569258 trlgG= -2.240452 logG= -0.664197 TDE= -4.401825 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038488 tlogG= -0.620994 logG= -0.659482 Density= 3.417641 ETOT(band)= -1.565634 trlgG= -2.231886 logG= -0.659482 TDE= -4.398252 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038800 tlogG= -0.617562 logG= -0.656362 Density= 3.419357 ETOT(band)= -1.561306 trlgG= -2.225986 logG= -0.656362 TDE= -4.396891 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038553 tlogG= -0.620526 logG= -0.659079 Density= 3.417837 ETOT(band)= -1.564986 trlgG= -2.231068 logG= -0.659079 TDE= -4.397999 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038786 tlogG= -0.616287 logG= -0.655073 Density= 3.419025 ETOT(band)= -1.560564 trlgG= -2.224889 logG= -0.655073 TDE= -4.396809 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038595 tlogG= -0.618261 logG= -0.656857 Density= 3.418202 ETOT(band)= -1.562975 trlgG= -2.226975 logG= -0.656857 TDE= -4.396430 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038566 tlogG= -0.624884 logG= -0.663450 Density= 3.417086 ETOT(band)= -1.568705 trlgG= -2.241422 logG= -0.663450 TDE= -4.403360 logGD-logG0= -0.038729 tlogG= -0.616799 logG= -0.655528 Density= 3.418924 ETOT(band)= -1.561143 trlgG= -2.224766 logG= -0.655528 TDE= -4.396147 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039007 tlogG= -0.612900 logG= -0.651907 Density= 3.420259 ETOT(band)= -1.556749 trlgG= -2.220087 logG= -0.651907 TDE= -4.396192 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=118 logGD-logG0= -0.038615 tlogG= -0.622702 logG= -0.661318 Density= 3.417560 ETOT(band)= -1.566645 trlgG= -2.236732 logG= -0.661318 TDE= -4.401195 logGD-logG0= -0.038545 tlogG= -0.620496 logG= -0.659041 Density= 3.417329 ETOT(band)= -1.565406 trlgG= -2.231678 logG= -0.659041 TDE= -4.398226 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038775 tlogG= -0.614247 logG= -0.653022 Density= 3.419205 ETOT(band)= -1.558905 trlgG= -2.220893 logG= -0.653022 TDE= -4.395012 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038410 tlogG= -0.625846 logG= -0.664256 Density= 3.416755 ETOT(band)= -1.569855 trlgG= -2.241149 logG= -0.664256 TDE= -4.402007 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038711 tlogG= -0.619526 logG= -0.658237 Density= 3.418395 ETOT(band)= -1.563508 trlgG= -2.230006 logG= -0.658237 TDE= -4.398241 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038698 tlogG= -0.617476 logG= -0.656175 Density= 3.418210 ETOT(band)= -1.562220 trlgG= -2.227066 logG= -0.656175 TDE= -4.397210 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038487 tlogG= -0.625384 logG= -0.663871 Density= 3.416912 ETOT(band)= -1.569309 trlgG= -2.241570 logG= -0.663871 TDE= -4.402943 logGD-logG0= -0.038544 tlogG= -0.625254 logG= -0.663799 Density= 3.417335 ETOT(band)= -1.568805 trlgG= -2.241001 logG= -0.663799 TDE= -4.402796 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038676 tlogG= -0.620318 logG= -0.658994 Density= 3.418648 ETOT(band)= -1.564120 trlgG= -2.230086 logG= -0.658994 TDE= -4.397772 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038664 tlogG= -0.620127 logG= -0.658791 Density= 3.418437 ETOT(band)= -1.563956 trlgG= -2.229915 logG= -0.658791 TDE= -4.397630 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038606 tlogG= -0.620127 logG= -0.658732 Density= 3.417857 ETOT(band)= -1.564593 trlgG= -2.231059 logG= -0.658732 TDE= -4.398353 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038694 tlogG= -0.619942 logG= -0.658636 Density= 3.418506 ETOT(band)= -1.563847 trlgG= -2.230210 logG= -0.658636 TDE= -4.398137 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038597 tlogG= -0.624781 logG= -0.663378 Density= 3.417393 ETOT(band)= -1.568300 trlgG= -2.240962 logG= -0.663378 TDE= -4.403227 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038546 tlogG= -0.622380 logG= -0.660926 Density= 3.417164 ETOT(band)= -1.566896 trlgG= -2.236076 logG= -0.660926 TDE= -4.400603 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039165 tlogG= -0.609747 logG= -0.648912 Density= 3.421175 ETOT(band)= -1.553472 trlgG= -2.215189 logG= -0.648912 TDE= -4.395047 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038652 tlogG= -0.622730 logG= -0.661382 Density= 3.418545 ETOT(band)= -1.566071 trlgG= -2.234100 logG= -0.661382 TDE= -4.399312 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038778 tlogG= -0.620530 logG= -0.659308 Density= 3.419587 ETOT(band)= -1.563593 trlgG= -2.229288 logG= -0.659308 TDE= -4.397437 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038847 tlogG= -0.615771 logG= -0.654618 Density= 3.419158 ETOT(band)= -1.559962 trlgG= -2.224589 logG= -0.654618 TDE= -4.397073 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038637 tlogG= -0.622448 logG= -0.661085 Density= 3.418217 ETOT(band)= -1.566018 trlgG= -2.234595 logG= -0.661085 TDE= -4.399834 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038513 tlogG= -0.620751 logG= -0.659263 Density= 3.417480 ETOT(band)= -1.565529 trlgG= -2.231707 logG= -0.659263 TDE= -4.398158 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038496 tlogG= -0.627139 logG= -0.665635 Density= 3.416839 ETOT(band)= -1.570565 trlgG= -2.245072 logG= -0.665635 TDE= -4.404622 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038717 tlogG= -0.620333 logG= -0.659050 Density= 3.418986 ETOT(band)= -1.563795 trlgG= -2.229602 logG= -0.659050 TDE= -4.397512 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038804 tlogG= -0.617916 logG= -0.656720 Density= 3.419611 ETOT(band)= -1.561494 trlgG= -2.225559 logG= -0.656720 TDE= -4.396315 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038443 tlogG= -0.623071 logG= -0.661514 Density= 3.417176 ETOT(band)= -1.567524 trlgG= -2.235883 logG= -0.661514 TDE= -4.399833 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038626 tlogG= -0.622123 logG= -0.660749 Density= 3.417927 ETOT(band)= -1.565892 trlgG= -2.234915 logG= -0.660749 TDE= -4.400250 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039044 tlogG= -0.610539 logG= -0.649583 Density= 3.420640 ETOT(band)= -1.554641 trlgG= -2.216101 logG= -0.649583 TDE= -4.394845 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038801 tlogG= -0.617189 logG= -0.655991 Density= 3.419128 ETOT(band)= -1.561079 trlgG= -2.226090 logG= -0.655991 TDE= -4.397176 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038866 tlogG= -0.614087 logG= -0.652953 Density= 3.419839 ETOT(band)= -1.558241 trlgG= -2.220258 logG= -0.652953 TDE= -4.394970 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038492 tlogG= -0.622749 logG= -0.661240 Density= 3.417164 ETOT(band)= -1.567240 trlgG= -2.235978 logG= -0.661240 TDE= -4.400190 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038935 tlogG= -0.613502 logG= -0.652437 Density= 3.420038 ETOT(band)= -1.557511 trlgG= -2.220516 logG= -0.652437 TDE= -4.395909 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038648 tlogG= -0.617883 logG= -0.656531 Density= 3.418204 ETOT(band)= -1.562613 trlgG= -2.227172 logG= -0.656531 TDE= -4.396954 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038563 tlogG= -0.623159 logG= -0.661722 Density= 3.417495 ETOT(band)= -1.567132 trlgG= -2.236814 logG= -0.661722 TDE= -4.400820 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1021.29765050915 eV TrLogG= -1457.72597284469 eV Ratio to renormalize= 0.999506315749 rho-rho_expected= 0.081004207729 nargs= 1 argi=dmft2.def 23) Finished k-point number 24 1 with #bands= 107 10) Finished k-point number 11 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 35) Finished k-point number 36 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 18) Finished k-point number 19 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 42) Finished k-point number 43 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 43) Finished k-point number 44 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 11) Finished k-point number 12 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800590085056414 0.802704090979333 0.802512753468487 0.800158585050741 0.803237998295055 0.802473943640353 0.800884269334465 0.802568792541590 0.802615912488946 0.800794575164937 0.802769626178914 0.802519003038212 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038514 tlogG= -0.623594 logG= -0.662109 Density= 3.417477 ETOT(band)= -1.567585 trlgG= -2.236774 logG= -0.662109 TDE= -4.400377 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038567 tlogG= -0.624880 logG= -0.663448 Density= 3.417091 ETOT(band)= -1.568715 trlgG= -2.241429 logG= -0.663448 TDE= -4.403375 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038677 tlogG= -0.620314 logG= -0.658992 Density= 3.418654 ETOT(band)= -1.564130 trlgG= -2.230093 logG= -0.658992 TDE= -4.397787 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038565 tlogG= -0.623155 logG= -0.661719 Density= 3.417501 ETOT(band)= -1.567142 trlgG= -2.236822 logG= -0.661719 TDE= -4.400834 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038952 tlogG= -0.613039 logG= -0.651991 Density= 3.419770 ETOT(band)= -1.557332 trlgG= -2.220586 logG= -0.651991 TDE= -4.396203 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038594 tlogG= -0.626541 logG= -0.665135 Density= 3.417133 ETOT(band)= -1.569792 trlgG= -2.244728 logG= -0.665135 TDE= -4.405020 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038546 tlogG= -0.620492 logG= -0.659038 Density= 3.417334 ETOT(band)= -1.565416 trlgG= -2.231685 logG= -0.659038 TDE= -4.398241 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038597 tlogG= -0.618258 logG= -0.656855 Density= 3.418208 ETOT(band)= -1.562985 trlgG= -2.226984 logG= -0.656855 TDE= -4.396445 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038555 tlogG= -0.620522 logG= -0.659077 Density= 3.417843 ETOT(band)= -1.564996 trlgG= -2.231076 logG= -0.659077 TDE= -4.398013 logGD-logG0= -0.038493 tlogG= -0.622745 logG= -0.661238 Density= 3.417169 ETOT(band)= -1.567250 trlgG= -2.235986 logG= -0.661238 TDE= -4.400205 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038638 tlogG= -0.622445 logG= -0.661083 Density= 3.418222 ETOT(band)= -1.566028 trlgG= -2.234603 logG= -0.661083 TDE= -4.399849 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.039046 tlogG= -0.610535 logG= -0.649581 Density= 3.420646 ETOT(band)= -1.554651 trlgG= -2.216110 logG= -0.649581 TDE= -4.394861 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038405 tlogG= -0.627691 logG= -0.666097 Density= 3.416592 ETOT(band)= -1.571293 trlgG= -2.244647 logG= -0.666097 TDE= -4.403530 logGD-logG0= -0.038498 tlogG= -0.627135 logG= -0.665633 Density= 3.416844 ETOT(band)= -1.570575 trlgG= -2.245080 logG= -0.665633 TDE= -4.404636 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038867 tlogG= -0.614083 logG= -0.652950 Density= 3.419844 ETOT(band)= -1.558250 trlgG= -2.220267 logG= -0.652950 TDE= -4.394986 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038696 tlogG= -0.619938 logG= -0.658634 Density= 3.418511 ETOT(band)= -1.563856 trlgG= -2.230218 logG= -0.658634 TDE= -4.398152 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038499 tlogG= -0.625696 logG= -0.664195 Density= 3.417311 ETOT(band)= -1.569268 trlgG= -2.240460 logG= -0.664195 TDE= -4.401839 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038617 tlogG= -0.622698 logG= -0.661315 Density= 3.417566 ETOT(band)= -1.566654 trlgG= -2.236740 logG= -0.661315 TDE= -4.401210 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038730 tlogG= -0.616795 logG= -0.655525 Density= 3.418929 ETOT(band)= -1.561153 trlgG= -2.224775 logG= -0.655525 TDE= -4.396163 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038514 tlogG= -0.620747 logG= -0.659261 Density= 3.417485 ETOT(band)= -1.565539 trlgG= -2.231715 logG= -0.659261 TDE= -4.398172 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038787 tlogG= -0.616283 logG= -0.655070 Density= 3.419031 ETOT(band)= -1.560574 trlgG= -2.224899 logG= -0.655070 TDE= -4.396825 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038665 tlogG= -0.620123 logG= -0.658788 Density= 3.418442 ETOT(band)= -1.563966 trlgG= -2.229923 logG= -0.658788 TDE= -4.397644 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038654 tlogG= -0.622727 logG= -0.661380 Density= 3.418550 ETOT(band)= -1.566082 trlgG= -2.234107 logG= -0.661380 TDE= -4.399326 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038864 tlogG= -0.613656 logG= -0.652519 Density= 3.419491 ETOT(band)= -1.558139 trlgG= -2.221095 logG= -0.652519 TDE= -4.395954 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.039167 tlogG= -0.609743 logG= -0.648909 Density= 3.421181 ETOT(band)= -1.553481 trlgG= -2.215198 logG= -0.648909 TDE= -4.395063 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038599 tlogG= -0.624777 logG= -0.663376 Density= 3.417399 ETOT(band)= -1.568310 trlgG= -2.240970 logG= -0.663376 TDE= -4.403241 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038445 tlogG= -0.623067 logG= -0.661512 Density= 3.417182 ETOT(band)= -1.567534 trlgG= -2.235890 logG= -0.661512 TDE= -4.399846 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038719 tlogG= -0.620329 logG= -0.659048 Density= 3.418991 ETOT(band)= -1.563805 trlgG= -2.229610 logG= -0.659048 TDE= -4.397526 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038489 tlogG= -0.620991 logG= -0.659480 logGD-logG0= -0.038803 tlogG= -0.617186 logG= -0.655989 Density= 3.419133 ETOT(band)= -1.561089 trlgG= -2.226099 logG= -0.655989 TDE= -4.397191 Density= 3.417646 ETOT(band)= -1.565644 trlgG= -2.231893 logG= -0.659480 TDE= -4.398265 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038806 tlogG= -0.617912 logG= -0.656718 Density= 3.419616 ETOT(band)= -1.561505 trlgG= -2.225567 logG= -0.656718 TDE= -4.396330 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.038627 tlogG= -0.622119 logG= -0.660747 Density= 3.417933 ETOT(band)= -1.565902 trlgG= -2.234923 logG= -0.660747 TDE= -4.400265 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038548 tlogG= -0.622376 logG= -0.660924 Density= 3.417169 ETOT(band)= -1.566906 trlgG= -2.236084 logG= -0.660924 TDE= -4.400618 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038546 tlogG= -0.625250 logG= -0.663796 Density= 3.417340 ETOT(band)= -1.568815 trlgG= -2.241009 logG= -0.663796 TDE= -4.402811 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038412 tlogG= -0.625842 logG= -0.664254 Density= 3.416761 ETOT(band)= -1.569865 trlgG= -2.241156 logG= -0.664254 TDE= -4.402021 logGD-logG0= -0.038712 tlogG= -0.619522 logG= -0.658234 Density= 3.418401 ETOT(band)= -1.563518 trlgG= -2.230014 logG= -0.658234 TDE= -4.398256 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038777 tlogG= -0.614243 logG= -0.653019 Density= 3.419211 ETOT(band)= -1.558915 trlgG= -2.220902 logG= -0.653019 TDE= -4.395028 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038659 tlogG= -0.619683 logG= -0.658342 Density= 3.417897 ETOT(band)= -1.564152 trlgG= -2.230674 logG= -0.658342 TDE= -4.398391 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038650 tlogG= -0.617879 logG= -0.656529 Density= 3.418210 ETOT(band)= -1.562623 trlgG= -2.227181 logG= -0.656529 TDE= -4.396970 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038700 tlogG= -0.617473 logG= -0.656172 Density= 3.418216 ETOT(band)= -1.562230 trlgG= -2.227075 logG= -0.656172 TDE= -4.397225 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038489 tlogG= -0.625380 logG= -0.663869 Density= 3.416918 ETOT(band)= -1.569319 trlgG= -2.241578 logG= -0.663869 TDE= -4.402958 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038780 tlogG= -0.620526 logG= -0.659305 Density= 3.419592 ETOT(band)= -1.563603 trlgG= -2.229295 logG= -0.659305 TDE= -4.397450 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.039009 tlogG= -0.612896 logG= -0.651905 Density= 3.420265 ETOT(band)= -1.556759 trlgG= -2.220096 logG= -0.651905 TDE= -4.396208 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038607 tlogG= -0.620123 logG= -0.658730 Density= 3.417862 ETOT(band)= -1.564603 trlgG= -2.231067 logG= -0.658730 TDE= -4.398367 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038849 tlogG= -0.615767 logG= -0.654615 Density= 3.419163 ETOT(band)= -1.559972 trlgG= -2.224598 logG= -0.654615 TDE= -4.397089 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038937 tlogG= -0.613498 logG= -0.652434 Density= 3.420044 ETOT(band)= -1.557521 trlgG= -2.220525 logG= -0.652434 TDE= -4.395925 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038924 tlogG= -0.611253 logG= -0.650177 Density= 3.420133 ETOT(band)= -1.555720 trlgG= -2.216104 logG= -0.650177 TDE= -4.393835 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038802 tlogG= -0.617558 logG= -0.656360 Density= 3.419363 ETOT(band)= -1.561316 trlgG= -2.225994 logG= -0.656360 TDE= -4.396906 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 Sum of eigenvalues= -1021.30412700667 eV TrLogG= -1457.73424538944 eV Ratio to renormalize= 0.999504705761 rho-rho_expected= 0.081268507032 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 29) Finished k-point number 30 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 43) Finished k-point number 44 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 28) Finished k-point number 29 1 with #bands= 107 13) Finished k-point number 14 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 11) Finished k-point number 12 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800576434738866 0.802690628593145 0.802499404316359 0.800144874882217 0.803224610986758 0.802460709473381 0.800870613131044 0.802555369601324 0.802602608138218 0.800780951113327 0.802756320967889 0.802505551557200 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038674 tlogG= -0.620329 logG= -0.659003 Density= 3.418644 ETOT(band)= -1.564112 trlgG= -2.230086 logG= -0.659003 TDE= -4.397760 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038636 tlogG= -0.622459 logG= -0.661095 Density= 3.418212 ETOT(band)= -1.566009 trlgG= -2.234596 logG= -0.661095 TDE= -4.399822 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038861 tlogG= -0.613670 logG= -0.652531 Density= 3.419481 ETOT(band)= -1.558121 trlgG= -2.221086 logG= -0.652531 TDE= -4.395924 logGD-logG0= -0.038651 tlogG= -0.622741 logG= -0.661392 Density= 3.418540 ETOT(band)= -1.566063 trlgG= -2.234101 logG= -0.661392 TDE= -4.399301 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038511 tlogG= -0.620761 logG= -0.659272 Density= 3.417475 ETOT(band)= -1.565520 trlgG= -2.231708 logG= -0.659272 TDE= -4.398146 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038565 tlogG= -0.624895 logG= -0.663459 Density= 3.417082 ETOT(band)= -1.568696 trlgG= -2.241422 logG= -0.663459 TDE= -4.403348 logGD-logG0= -0.038403 tlogG= -0.627706 logG= -0.666108 Density= 3.416582 ETOT(band)= -1.571274 trlgG= -2.244640 logG= -0.666108 TDE= -4.403503 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038774 tlogG= -0.614257 logG= -0.653031 Density= 3.419200 ETOT(band)= -1.558896 trlgG= -2.220893 logG= -0.653031 TDE= -4.394999 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038544 tlogG= -0.620506 logG= -0.659050 Density= 3.417324 ETOT(band)= -1.565397 trlgG= -2.231679 logG= -0.659050 TDE= -4.398214 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038663 tlogG= -0.620137 logG= -0.658800 Density= 3.418432 ETOT(band)= -1.563948 trlgG= -2.229916 logG= -0.658800 TDE= -4.397618 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038545 tlogG= -0.622390 logG= -0.660935 Density= 3.417159 ETOT(band)= -1.566888 trlgG= -2.236077 logG= -0.660935 TDE= -4.400591 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038591 tlogG= -0.626556 logG= -0.665147 Density= 3.417123 ETOT(band)= -1.569774 trlgG= -2.244721 logG= -0.665147 TDE= -4.404993 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038594 tlogG= -0.618272 logG= -0.656866 Density= 3.418198 ETOT(band)= -1.562966 trlgG= -2.226976 logG= -0.656866 TDE= -4.396418 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038784 tlogG= -0.616298 logG= -0.655082 Density= 3.419021 ETOT(band)= -1.560556 trlgG= -2.224889 logG= -0.655082 TDE= -4.396796 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038487 tlogG= -0.621005 logG= -0.659491 Density= 3.417637 ETOT(band)= -1.565625 trlgG= -2.231888 logG= -0.659491 TDE= -4.398240 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038552 tlogG= -0.620536 logG= -0.659088 Density= 3.417833 ETOT(band)= -1.564977 trlgG= -2.231069 logG= -0.659088 TDE= -4.397987 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038442 tlogG= -0.623081 logG= -0.661523 Density= 3.417172 ETOT(band)= -1.567515 trlgG= -2.235885 logG= -0.661523 TDE= -4.399821 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038693 tlogG= -0.619952 logG= -0.658645 Density= 3.418501 ETOT(band)= -1.563838 trlgG= -2.230211 logG= -0.658645 TDE= -4.398125 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038614 tlogG= -0.622713 logG= -0.661327 Density= 3.417556 ETOT(band)= -1.566636 trlgG= -2.236733 logG= -0.661327 TDE= -4.401183 logGD-logG0= -0.038543 tlogG= -0.625265 logG= -0.663808 Density= 3.417331 ETOT(band)= -1.568797 trlgG= -2.241001 logG= -0.663808 TDE= -4.402784 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038727 tlogG= -0.616809 logG= -0.655537 Density= 3.418919 ETOT(band)= -1.561135 trlgG= -2.224767 logG= -0.655537 TDE= -4.396134 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038497 tlogG= -0.625710 logG= -0.664207 Density= 3.417301 ETOT(band)= -1.569249 trlgG= -2.240453 logG= -0.664207 TDE= -4.401813 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038800 tlogG= -0.617200 logG= -0.656000 Density= 3.419123 ETOT(band)= -1.561071 trlgG= -2.226090 logG= -0.656000 TDE= -4.397163 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038486 tlogG= -0.625395 logG= -0.663881 Density= 3.416908 ETOT(band)= -1.569300 trlgG= -2.241571 logG= -0.663881 TDE= -4.402931 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038512 tlogG= -0.623609 logG= -0.662121 Density= 3.417467 ETOT(band)= -1.567567 trlgG= -2.236768 logG= -0.662121 TDE= -4.400351 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038491 tlogG= -0.622759 logG= -0.661250 Density= 3.417160 ETOT(band)= -1.567232 trlgG= -2.235978 logG= -0.661250 TDE= -4.400178 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038657 tlogG= -0.619697 logG= -0.658354 Density= 3.417887 ETOT(band)= -1.564134 trlgG= -2.230667 logG= -0.658354 TDE= -4.398365 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.039006 tlogG= -0.612910 logG= -0.651916 Density= 3.420255 ETOT(band)= -1.556741 trlgG= -2.220087 logG= -0.651916 TDE= -4.396179 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=118 logGD-logG0= -0.038697 tlogG= -0.617487 logG= -0.656184 Density= 3.418206 ETOT(band)= -1.562211 trlgG= -2.227066 logG= -0.656184 TDE= -4.397197 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.039164 tlogG= -0.609757 logG= -0.648921 Density= 3.421171 ETOT(band)= -1.553464 trlgG= -2.215189 logG= -0.648921 TDE= -4.395034 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038409 tlogG= -0.625856 logG= -0.664266 Density= 3.416751 ETOT(band)= -1.569846 trlgG= -2.241150 logG= -0.664266 TDE= -4.401995 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038605 tlogG= -0.620137 logG= -0.658742 Density= 3.417852 ETOT(band)= -1.564584 trlgG= -2.231060 logG= -0.658742 TDE= -4.398340 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038799 tlogG= -0.617572 logG= -0.656371 Density= 3.419353 ETOT(band)= -1.561297 trlgG= -2.225986 logG= -0.656371 TDE= -4.396878 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038709 tlogG= -0.619537 logG= -0.658246 Density= 3.418391 ETOT(band)= -1.563500 trlgG= -2.230007 logG= -0.658246 TDE= -4.398228 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038949 tlogG= -0.613054 logG= -0.652003 Density= 3.419760 ETOT(band)= -1.557314 trlgG= -2.220577 logG= -0.652003 TDE= -4.396174 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038647 tlogG= -0.617893 logG= -0.656541 Density= 3.418200 ETOT(band)= -1.562604 trlgG= -2.227172 logG= -0.656541 TDE= -4.396941 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038495 tlogG= -0.627150 logG= -0.665644 Density= 3.416835 ETOT(band)= -1.570557 trlgG= -2.245073 logG= -0.665644 TDE= -4.404609 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038864 tlogG= -0.614097 logG= -0.652962 Density= 3.419834 ETOT(band)= -1.558232 trlgG= -2.220258 logG= -0.652962 TDE= -4.394957 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038921 tlogG= -0.611268 logG= -0.650189 Density= 3.420122 ETOT(band)= -1.555702 trlgG= -2.216095 logG= -0.650189 TDE= -4.393806 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038846 tlogG= -0.615781 logG= -0.654627 Density= 3.419153 ETOT(band)= -1.559954 trlgG= -2.224589 logG= -0.654627 TDE= -4.397060 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038934 tlogG= -0.613512 logG= -0.652446 Density= 3.420034 ETOT(band)= -1.557503 trlgG= -2.220516 logG= -0.652446 TDE= -4.395896 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038716 tlogG= -0.620343 logG= -0.659059 Density= 3.418981 ETOT(band)= -1.563787 trlgG= -2.229604 logG= -0.659059 TDE= -4.397500 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=130 logGD-logG0= -0.039043 tlogG= -0.610550 logG= -0.649592 Density= 3.420635 ETOT(band)= -1.554633 trlgG= -2.216101 logG= -0.649592 TDE= -4.394832 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038803 tlogG= -0.617927 logG= -0.656730 Density= 3.419606 ETOT(band)= -1.561486 trlgG= -2.225559 logG= -0.656730 TDE= -4.396302 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038625 tlogG= -0.622134 logG= -0.660758 Density= 3.417923 ETOT(band)= -1.565883 trlgG= -2.234916 logG= -0.660758 TDE= -4.400238 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038562 tlogG= -0.623169 logG= -0.661731 Density= 3.417491 ETOT(band)= -1.567124 trlgG= -2.236815 logG= -0.661731 TDE= -4.400808 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038596 tlogG= -0.624792 logG= -0.663388 Density= 3.417389 ETOT(band)= -1.568292 trlgG= -2.240963 logG= -0.663388 TDE= -4.403214 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038777 tlogG= -0.620540 logG= -0.659317 Density= 3.419582 ETOT(band)= -1.563585 trlgG= -2.229290 logG= -0.659317 TDE= -4.397425 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 Sum of eigenvalues= -1021.29214692318 eV TrLogG= -1457.72394942246 eV Ratio to renormalize= 0.999507612891 rho-rho_expected= 0.080791266403 nargs= 1 argi=dmft2.def 3) Finished k-point number 4 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 42) Finished k-point number 43 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 34) Finished k-point number 35 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 36) Finished k-point number 37 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 107 10) Finished k-point number 11 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 44) Finished k-point number 45 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 20) Finished k-point number 21 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800563569186745 0.802679057206520 0.802486052356733 0.800131937981082 0.803212891059894 0.802447600413076 0.800857805075008 0.802543771845023 0.802589239413197 0.800768081792089 0.802744659752632 0.802492374797973 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038399 tlogG= -0.627701 logG= -0.666100 Density= 3.416572 ETOT(band)= -1.571262 trlgG= -2.244619 logG= -0.666100 TDE= -4.403483 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038540 tlogG= -0.620501 logG= -0.659042 Density= 3.417315 ETOT(band)= -1.565385 trlgG= -2.231659 logG= -0.659042 TDE= -4.398195 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038483 tlogG= -0.621000 logG= -0.659483 Density= 3.417627 ETOT(band)= -1.565613 trlgG= -2.231868 logG= -0.659483 TDE= -4.398221 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038800 tlogG= -0.617922 logG= -0.656721 Density= 3.419597 ETOT(band)= -1.561472 trlgG= -2.225537 logG= -0.656721 TDE= -4.396281 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038611 tlogG= -0.622708 logG= -0.661319 Density= 3.417546 ETOT(band)= -1.566624 trlgG= -2.236712 logG= -0.661319 TDE= -4.401162 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038406 tlogG= -0.625851 logG= -0.664258 Density= 3.416741 ETOT(band)= -1.569834 trlgG= -2.241130 logG= -0.664258 TDE= -4.401976 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038918 tlogG= -0.611263 logG= -0.650181 Density= 3.420112 ETOT(band)= -1.555689 trlgG= -2.216072 logG= -0.650181 TDE= -4.393782 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038540 tlogG= -0.625260 logG= -0.663800 Density= 3.417321 ETOT(band)= -1.568784 trlgG= -2.240980 logG= -0.663800 TDE= -4.402763 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038713 tlogG= -0.620338 logG= -0.659051 Density= 3.418972 ETOT(band)= -1.563774 trlgG= -2.229583 logG= -0.659051 TDE= -4.397480 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038591 tlogG= -0.618267 logG= -0.656858 Density= 3.418188 ETOT(band)= -1.562953 trlgG= -2.226954 logG= -0.656858 TDE= -4.396396 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038561 tlogG= -0.624890 logG= -0.663451 Density= 3.417072 ETOT(band)= -1.568684 trlgG= -2.241401 logG= -0.663451 TDE= -4.403327 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038588 tlogG= -0.626551 logG= -0.665139 Density= 3.417113 ETOT(band)= -1.569761 trlgG= -2.244700 logG= -0.665139 TDE= -4.404972 logGD-logG0= -0.038542 tlogG= -0.622386 logG= -0.660927 Density= 3.417149 ETOT(band)= -1.566875 trlgG= -2.236056 logG= -0.660927 TDE= -4.400570 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038781 tlogG= -0.616293 logG= -0.655074 Density= 3.419011 ETOT(band)= -1.560543 trlgG= -2.224866 logG= -0.655074 TDE= -4.396772 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.038724 tlogG= -0.616805 logG= -0.655529 Density= 3.418910 ETOT(band)= -1.561122 trlgG= -2.224744 logG= -0.655529 TDE= -4.396112 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038593 tlogG= -0.624787 logG= -0.663380 Density= 3.417379 ETOT(band)= -1.568279 trlgG= -2.240942 logG= -0.663380 TDE= -4.403193 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038648 tlogG= -0.622736 logG= -0.661383 Density= 3.418531 ETOT(band)= -1.566050 trlgG= -2.234081 logG= -0.661383 TDE= -4.399281 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038549 tlogG= -0.620531 logG= -0.659080 Density= 3.417823 ETOT(band)= -1.564964 trlgG= -2.231049 logG= -0.659080 TDE= -4.397967 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038632 tlogG= -0.622454 logG= -0.661086 Density= 3.418203 ETOT(band)= -1.565996 trlgG= -2.234575 logG= -0.661086 TDE= -4.399801 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038770 tlogG= -0.614252 logG= -0.653023 Density= 3.419191 ETOT(band)= -1.558884 trlgG= -2.220871 logG= -0.653023 TDE= -4.394976 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038774 tlogG= -0.620535 logG= -0.659308 Density= 3.419573 ETOT(band)= -1.563571 trlgG= -2.229270 logG= -0.659308 TDE= -4.397406 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038857 tlogG= -0.613665 logG= -0.652523 Density= 3.419471 ETOT(band)= -1.558109 trlgG= -2.221063 logG= -0.652523 TDE= -4.395901 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038493 tlogG= -0.625705 logG= -0.664199 Density= 3.417291 ETOT(band)= -1.569237 trlgG= -2.240433 logG= -0.664199 TDE= -4.401793 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038653 tlogG= -0.619692 logG= -0.658346 Density= 3.417877 ETOT(band)= -1.564121 trlgG= -2.230647 logG= -0.658346 TDE= -4.398344 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.038671 tlogG= -0.620324 logG= -0.658995 Density= 3.418634 ETOT(band)= -1.564099 trlgG= -2.230065 logG= -0.658995 TDE= -4.397740 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038508 tlogG= -0.623604 logG= -0.662112 Density= 3.417458 ETOT(band)= -1.567554 trlgG= -2.236748 logG= -0.662112 TDE= -4.400331 logGD-logG0= -0.038797 tlogG= -0.617195 logG= -0.655992 Density= 3.419113 ETOT(band)= -1.561058 trlgG= -2.226068 logG= -0.655992 TDE= -4.397141 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039003 tlogG= -0.612906 logG= -0.651908 Density= 3.420245 ETOT(band)= -1.556729 trlgG= -2.220063 logG= -0.651908 TDE= -4.396155 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038689 tlogG= -0.619947 logG= -0.658637 Density= 3.418492 ETOT(band)= -1.563825 trlgG= -2.230190 logG= -0.658637 TDE= -4.398104 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038558 tlogG= -0.623164 logG= -0.661723 Density= 3.417481 ETOT(band)= -1.567111 trlgG= -2.236794 logG= -0.661723 TDE= -4.400787 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038439 tlogG= -0.623076 logG= -0.661515 Density= 3.417162 ETOT(band)= -1.567503 trlgG= -2.235865 logG= -0.661515 TDE= -4.399802 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038861 tlogG= -0.614093 logG= -0.652954 Density= 3.419824 ETOT(band)= -1.558219 trlgG= -2.220235 logG= -0.652954 TDE= -4.394934 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038843 tlogG= -0.615776 logG= -0.654619 Density= 3.419143 ETOT(band)= -1.559941 trlgG= -2.224566 logG= -0.654619 TDE= -4.397036 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=118 logGD-logG0= -0.038491 tlogG= -0.627145 logG= -0.665636 Density= 3.416825 ETOT(band)= -1.570544 trlgG= -2.245052 logG= -0.665636 TDE= -4.404588 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038644 tlogG= -0.617889 logG= -0.656532 Density= 3.418190 ETOT(band)= -1.562592 trlgG= -2.227150 logG= -0.656532 TDE= -4.396919 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=129 logGD-logG0= -0.039039 tlogG= -0.610545 logG= -0.649584 Density= 3.420625 ETOT(band)= -1.554621 trlgG= -2.216078 logG= -0.649584 TDE= -4.394808 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038796 tlogG= -0.617567 logG= -0.656363 Density= 3.419343 ETOT(band)= -1.561284 trlgG= -2.225963 logG= -0.656363 TDE= -4.396855 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038483 tlogG= -0.625390 logG= -0.663873 Density= 3.416898 ETOT(band)= -1.569288 trlgG= -2.241550 logG= -0.663873 TDE= -4.402910 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038487 tlogG= -0.622754 logG= -0.661241 Density= 3.417150 ETOT(band)= -1.567219 trlgG= -2.235958 logG= -0.661241 TDE= -4.400157 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038601 tlogG= -0.620132 logG= -0.658734 Density= 3.417843 ETOT(band)= -1.564572 trlgG= -2.231040 logG= -0.658734 TDE= -4.398320 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038694 tlogG= -0.617482 logG= -0.656176 Density= 3.418196 ETOT(band)= -1.562199 trlgG= -2.227044 logG= -0.656176 TDE= -4.397174 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039160 tlogG= -0.609753 logG= -0.648913 Density= 3.421160 ETOT(band)= -1.553452 trlgG= -2.215166 logG= -0.648913 TDE= -4.395011 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038706 tlogG= -0.619532 logG= -0.658238 Density= 3.418381 ETOT(band)= -1.563487 trlgG= -2.229985 logG= -0.658238 TDE= -4.398207 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038931 tlogG= -0.613507 logG= -0.652438 Density= 3.420024 ETOT(band)= -1.557490 trlgG= -2.220493 logG= -0.652438 TDE= -4.395873 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038946 tlogG= -0.613049 logG= -0.651995 Density= 3.419750 ETOT(band)= -1.557302 trlgG= -2.220554 logG= -0.651995 TDE= -4.396150 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038621 tlogG= -0.622129 logG= -0.660750 Density= 3.417913 ETOT(band)= -1.565871 trlgG= -2.234895 logG= -0.660750 TDE= -4.400217 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038659 tlogG= -0.620133 logG= -0.658792 Density= 3.418423 ETOT(band)= -1.563935 trlgG= -2.229895 logG= -0.658792 TDE= -4.397598 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038508 tlogG= -0.620756 logG= -0.659264 Density= 3.417466 ETOT(band)= -1.565507 trlgG= -2.231688 logG= -0.659264 TDE= -4.398126 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 Sum of eigenvalues= -1021.28387062820 eV TrLogG= -1457.70474596038 eV Ratio to renormalize= 0.999510460521 rho-rho_expected= 0.080323796254 nargs= 1 argi=dmft2.def 30) Finished k-point number 31 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 12) Finished k-point number 13 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 7) Finished k-point number 8 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 38) Finished k-point number 39 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 43) Finished k-point number 44 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 15) Finished k-point number 16 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 16) Finished k-point number 17 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 47) Finished k-point number 48 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 26) Finished k-point number 27 1 with #bands= 105 9) Finished k-point number 10 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800550922019874 0.802667571556450 0.802473267128829 0.800119284752232 0.803201320382657 0.802434969860617 0.800845240921516 0.802532217245282 0.802576484328321 0.800755515830810 0.802733152282308 0.802479624448240 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038588 tlogG= -0.618273 logG= -0.656861 Density= 3.418180 ETOT(band)= -1.562945 trlgG= -2.226949 logG= -0.656861 TDE= -4.396381 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038668 tlogG= -0.620330 logG= -0.658998 Density= 3.418626 ETOT(band)= -1.564091 trlgG= -2.230061 logG= -0.658998 TDE= -4.397725 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038855 tlogG= -0.613671 logG= -0.652526 Density= 3.419462 ETOT(band)= -1.558101 trlgG= -2.221056 logG= -0.652526 TDE= -4.395883 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038397 tlogG= -0.627707 logG= -0.666104 Density= 3.416563 ETOT(band)= -1.571254 trlgG= -2.244615 logG= -0.666104 TDE= -4.403468 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038687 tlogG= -0.619954 logG= -0.658640 Density= 3.418483 ETOT(band)= -1.563817 trlgG= -2.230185 logG= -0.658640 TDE= -4.398088 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038546 tlogG= -0.620537 logG= -0.659083 Density= 3.417814 ETOT(band)= -1.564956 trlgG= -2.231045 logG= -0.659083 TDE= -4.397952 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038559 tlogG= -0.624896 logG= -0.663455 Density= 3.417063 ETOT(band)= -1.568676 trlgG= -2.241397 logG= -0.663455 TDE= -4.403312 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038598 tlogG= -0.620139 logG= -0.658737 Density= 3.417834 ETOT(band)= -1.564564 trlgG= -2.231035 logG= -0.658737 TDE= -4.398305 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038915 tlogG= -0.611269 logG= -0.650184 Density= 3.420103 ETOT(band)= -1.555682 trlgG= -2.216065 logG= -0.650184 TDE= -4.393765 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038539 tlogG= -0.622392 logG= -0.660931 Density= 3.417141 ETOT(band)= -1.566868 trlgG= -2.236051 logG= -0.660931 TDE= -4.400554 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038778 tlogG= -0.616299 logG= -0.655077 Density= 3.419002 ETOT(band)= -1.560535 trlgG= -2.224859 logG= -0.655077 TDE= -4.396755 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038585 tlogG= -0.626557 logG= -0.665142 Density= 3.417104 ETOT(band)= -1.569754 trlgG= -2.244696 logG= -0.665142 TDE= -4.404957 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038710 tlogG= -0.620344 logG= -0.659054 Density= 3.418964 ETOT(band)= -1.563765 trlgG= -2.229579 logG= -0.659054 TDE= -4.397466 logGD-logG0= -0.038505 tlogG= -0.620762 logG= -0.659267 Density= 3.417457 ETOT(band)= -1.565499 trlgG= -2.231684 logG= -0.659267 TDE= -4.398112 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038538 tlogG= -0.620507 logG= -0.659045 Density= 3.417306 ETOT(band)= -1.565377 trlgG= -2.231655 logG= -0.659045 TDE= -4.398180 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038703 tlogG= -0.619538 logG= -0.658241 Density= 3.418372 ETOT(band)= -1.563479 trlgG= -2.229980 logG= -0.658241 TDE= -4.398191 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038506 tlogG= -0.623610 logG= -0.662116 Density= 3.417449 ETOT(band)= -1.567546 trlgG= -2.236744 logG= -0.662116 TDE= -4.400317 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038491 tlogG= -0.625711 logG= -0.664202 Density= 3.417283 ETOT(band)= -1.569229 trlgG= -2.240429 logG= -0.664202 TDE= -4.401779 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038489 tlogG= -0.627151 logG= -0.665640 Density= 3.416816 ETOT(band)= -1.570537 trlgG= -2.245048 logG= -0.665640 TDE= -4.404573 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038943 tlogG= -0.613056 logG= -0.651998 Density= 3.419741 ETOT(band)= -1.557295 trlgG= -2.220547 logG= -0.651998 TDE= -4.396133 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.039000 tlogG= -0.612912 logG= -0.651912 Density= 3.420235 ETOT(band)= -1.556721 trlgG= -2.220057 logG= -0.651912 TDE= -4.396138 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038797 tlogG= -0.617927 logG= -0.656724 Density= 3.419589 ETOT(band)= -1.561464 trlgG= -2.225532 logG= -0.656724 TDE= -4.396266 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038651 tlogG= -0.619698 logG= -0.658349 Density= 3.417868 ETOT(band)= -1.564114 trlgG= -2.230643 logG= -0.658349 TDE= -4.398329 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=130 logGD-logG0= -0.038691 tlogG= -0.617488 logG= -0.656179 Density= 3.418187 ETOT(band)= -1.562191 trlgG= -2.227037 logG= -0.656179 TDE= -4.397157 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038630 tlogG= -0.622460 logG= -0.661090 Density= 3.418195 ETOT(band)= -1.565988 trlgG= -2.234570 logG= -0.661090 TDE= -4.399786 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038793 tlogG= -0.617573 logG= -0.656366 Density= 3.419335 ETOT(band)= -1.561276 trlgG= -2.225957 logG= -0.656366 TDE= -4.396839 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038768 tlogG= -0.614259 logG= -0.653026 Density= 3.419182 ETOT(band)= -1.558876 trlgG= -2.220864 logG= -0.653026 TDE= -4.394960 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038481 tlogG= -0.621006 logG= -0.659486 Density= 3.417619 ETOT(band)= -1.565604 trlgG= -2.231865 logG= -0.659486 TDE= -4.398208 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038537 tlogG= -0.625266 logG= -0.663803 Density= 3.417312 ETOT(band)= -1.568776 trlgG= -2.240976 logG= -0.663803 TDE= -4.402748 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038645 tlogG= -0.622742 logG= -0.661387 Density= 3.418523 ETOT(band)= -1.566042 trlgG= -2.234077 logG= -0.661387 TDE= -4.399267 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038480 tlogG= -0.625396 logG= -0.663876 Density= 3.416889 ETOT(band)= -1.569280 trlgG= -2.241545 logG= -0.663876 TDE= -4.402895 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038928 tlogG= -0.613513 logG= -0.652441 Density= 3.420015 ETOT(band)= -1.557482 trlgG= -2.220486 logG= -0.652441 TDE= -4.395855 logGD-logG0= -0.038641 tlogG= -0.617895 logG= -0.656536 Density= 3.418181 ETOT(band)= -1.562584 trlgG= -2.227143 logG= -0.656536 TDE= -4.396902 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=130 logGD-logG0= -0.038608 tlogG= -0.622714 logG= -0.661322 Density= 3.417537 ETOT(band)= -1.566616 trlgG= -2.236707 logG= -0.661322 TDE= -4.401147 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038794 tlogG= -0.617201 logG= -0.655995 Density= 3.419104 ETOT(band)= -1.561051 trlgG= -2.226062 logG= -0.655995 TDE= -4.397124 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038840 tlogG= -0.615783 logG= -0.654623 Density= 3.419134 ETOT(band)= -1.559934 trlgG= -2.224559 logG= -0.654623 TDE= -4.397019 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038721 tlogG= -0.616811 logG= -0.655532 Density= 3.418901 ETOT(band)= -1.561114 trlgG= -2.224738 logG= -0.655532 TDE= -4.396096 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038403 tlogG= -0.625858 logG= -0.664261 Density= 3.416733 ETOT(band)= -1.569826 trlgG= -2.241126 logG= -0.664261 TDE= -4.401961 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038618 tlogG= -0.622135 logG= -0.660754 Density= 3.417905 ETOT(band)= -1.565863 trlgG= -2.234890 logG= -0.660754 TDE= -4.400202 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038590 tlogG= -0.624793 logG= -0.663383 Density= 3.417370 ETOT(band)= -1.568272 trlgG= -2.240938 logG= -0.663383 TDE= -4.403178 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038771 tlogG= -0.620541 logG= -0.659312 Density= 3.419565 ETOT(band)= -1.563563 trlgG= -2.229266 logG= -0.659312 TDE= -4.397393 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038436 tlogG= -0.623082 logG= -0.661518 Density= 3.417154 ETOT(band)= -1.567495 trlgG= -2.235862 logG= -0.661518 TDE= -4.399788 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038485 tlogG= -0.622760 logG= -0.661245 Density= 3.417141 ETOT(band)= -1.567211 trlgG= -2.235953 logG= -0.661245 TDE= -4.400142 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.039158 tlogG= -0.609759 logG= -0.648917 Density= 3.421151 ETOT(band)= -1.553444 trlgG= -2.215160 logG= -0.648917 TDE= -4.394993 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.039037 tlogG= -0.610551 logG= -0.649588 Density= 3.420616 ETOT(band)= -1.554613 trlgG= -2.216072 logG= -0.649588 TDE= -4.394791 logGD-logG0= -0.038858 tlogG= -0.614099 logG= -0.652957 Density= 3.419816 ETOT(band)= -1.558212 trlgG= -2.220229 logG= -0.652957 TDE= -4.394917 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038656 tlogG= -0.620139 logG= -0.658795 Density= 3.418414 ETOT(band)= -1.563927 trlgG= -2.229891 logG= -0.658795 TDE= -4.397583 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038556 tlogG= -0.623170 logG= -0.661726 Density= 3.417472 ETOT(band)= -1.567103 trlgG= -2.236790 logG= -0.661726 TDE= -4.400772 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 Sum of eigenvalues= -1021.27878419560 eV TrLogG= -1457.69672926382 eV Ratio to renormalize= 0.999513017516 rho-rho_expected= 0.079904039289 nargs= 1 argi=dmft2.def 41) Finished k-point number 42 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 13) Finished k-point number 14 1 with #bands= 105 4) Finished k-point number 5 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 28) Finished k-point number 29 1 with #bands= 107 6) Finished k-point number 7 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 31) Finished k-point number 32 1 with #bands= 105 37) Finished k-point number 38 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 23) Finished k-point number 24 1 with #bands= 107 21) Finished k-point number 22 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 2) Finished k-point number 3 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 40) Finished k-point number 41 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 46) Finished k-point number 47 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800547136299248 0.802663489683864 0.802469063684651 0.800115499776454 0.803197255564163 0.802430789908097 0.800841462836260 0.802528133059536 0.802572298945335 0.800751760779796 0.802729135717125 0.802475354323155 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038538 tlogG= -0.622399 logG= -0.660937 Density= 3.417138 ETOT(band)= -1.566866 trlgG= -2.236056 logG= -0.660937 TDE= -4.400551 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038396 tlogG= -0.627714 logG= -0.666110 Density= 3.416561 ETOT(band)= -1.571253 trlgG= -2.244620 logG= -0.666110 TDE= -4.403464 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038588 tlogG= -0.618280 logG= -0.656867 Density= 3.418177 ETOT(band)= -1.562944 trlgG= -2.226954 logG= -0.656867 TDE= -4.396377 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038490 tlogG= -0.625718 logG= -0.664208 Density= 3.417280 ETOT(band)= -1.569228 trlgG= -2.240434 logG= -0.664208 TDE= -4.401776 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038545 tlogG= -0.620544 logG= -0.659089 Density= 3.417812 ETOT(band)= -1.564955 trlgG= -2.231050 logG= -0.659089 TDE= -4.397949 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038505 tlogG= -0.623617 logG= -0.662122 Density= 3.417447 ETOT(band)= -1.567545 trlgG= -2.236749 logG= -0.662122 TDE= -4.400314 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038629 tlogG= -0.622467 logG= -0.661096 Density= 3.418192 ETOT(band)= -1.565987 trlgG= -2.234575 logG= -0.661096 TDE= -4.399782 logGD-logG0= -0.038644 tlogG= -0.622748 logG= -0.661393 Density= 3.418521 ETOT(band)= -1.566040 trlgG= -2.234082 logG= -0.661393 TDE= -4.399264 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038537 tlogG= -0.620514 logG= -0.659051 Density= 3.417304 ETOT(band)= -1.565376 trlgG= -2.231660 logG= -0.659051 TDE= -4.398177 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038558 tlogG= -0.624903 logG= -0.663461 Density= 3.417061 ETOT(band)= -1.568675 trlgG= -2.241402 logG= -0.663461 TDE= -4.403309 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038618 tlogG= -0.622142 logG= -0.660760 Density= 3.417902 ETOT(band)= -1.565862 trlgG= -2.234895 logG= -0.660760 TDE= -4.400199 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038584 tlogG= -0.626564 logG= -0.665149 Density= 3.417102 ETOT(band)= -1.569753 trlgG= -2.244701 logG= -0.665149 TDE= -4.404954 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038505 tlogG= -0.620769 logG= -0.659274 Density= 3.417455 ETOT(band)= -1.565498 trlgG= -2.231689 logG= -0.659274 TDE= -4.398109 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038854 tlogG= -0.613678 logG= -0.652532 Density= 3.419460 ETOT(band)= -1.558100 trlgG= -2.221060 logG= -0.652532 TDE= -4.395879 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038778 tlogG= -0.616306 logG= -0.655083 Density= 3.418999 ETOT(band)= -1.560534 trlgG= -2.224864 logG= -0.655083 TDE= -4.396751 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038607 tlogG= -0.622721 logG= -0.661328 Density= 3.417535 ETOT(band)= -1.566615 trlgG= -2.236712 logG= -0.661328 TDE= -4.401143 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038668 tlogG= -0.620337 logG= -0.659004 Density= 3.418624 ETOT(band)= -1.564090 trlgG= -2.230066 logG= -0.659004 TDE= -4.397722 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038767 tlogG= -0.614265 logG= -0.653032 Density= 3.419179 ETOT(band)= -1.558875 trlgG= -2.220869 logG= -0.653032 TDE= -4.394956 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038721 tlogG= -0.616817 logG= -0.655538 Density= 3.418899 ETOT(band)= -1.561113 trlgG= -2.224743 logG= -0.655538 TDE= -4.396092 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038640 tlogG= -0.617901 logG= -0.656542 Density= 3.418179 ETOT(band)= -1.562583 trlgG= -2.227148 logG= -0.656542 TDE= -4.396898 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=130 logGD-logG0= -0.038686 tlogG= -0.619960 logG= -0.658646 Density= 3.418481 ETOT(band)= -1.563816 trlgG= -2.230190 logG= -0.658646 TDE= -4.398085 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038703 tlogG= -0.619545 logG= -0.658247 Density= 3.418370 ETOT(band)= -1.563478 trlgG= -2.229985 logG= -0.658247 TDE= -4.398188 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=128 logGD-logG0= -0.038839 tlogG= -0.615789 logG= -0.654629 Density= 3.419132 ETOT(band)= -1.559933 trlgG= -2.224564 logG= -0.654629 TDE= -4.397015 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038650 tlogG= -0.619705 logG= -0.658355 Density= 3.417866 ETOT(band)= -1.564113 trlgG= -2.230648 logG= -0.658355 TDE= -4.398326 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038858 tlogG= -0.614105 logG= -0.652963 Density= 3.419813 ETOT(band)= -1.558211 trlgG= -2.220233 logG= -0.652963 TDE= -4.394914 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038537 tlogG= -0.625273 logG= -0.663809 Density= 3.417310 ETOT(band)= -1.568775 trlgG= -2.240980 logG= -0.663809 TDE= -4.402745 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=124 logGD-logG0= -0.038792 tlogG= -0.617580 logG= -0.656372 Density= 3.419332 ETOT(band)= -1.561275 trlgG= -2.225962 logG= -0.656372 TDE= -4.396835 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038942 tlogG= -0.613062 logG= -0.652004 Density= 3.419738 ETOT(band)= -1.557294 trlgG= -2.220552 logG= -0.652004 TDE= -4.396129 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039157 tlogG= -0.609766 logG= -0.648923 Density= 3.421148 ETOT(band)= -1.553443 trlgG= -2.215165 logG= -0.648923 TDE= -4.394989 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038480 tlogG= -0.621012 logG= -0.659492 Density= 3.417616 ETOT(band)= -1.565603 trlgG= -2.231870 logG= -0.659492 TDE= -4.398205 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038794 tlogG= -0.617208 logG= -0.656001 Density= 3.419102 ETOT(band)= -1.561049 trlgG= -2.226066 logG= -0.656001 TDE= -4.397120 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038555 tlogG= -0.623177 logG= -0.661732 Density= 3.417470 ETOT(band)= -1.567102 trlgG= -2.236795 logG= -0.661732 TDE= -4.400769 logGD-logG0= -0.039036 tlogG= -0.610558 logG= -0.649594 Density= 3.420613 ETOT(band)= -1.554612 trlgG= -2.216076 logG= -0.649594 TDE= -4.394787 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038709 tlogG= -0.620351 logG= -0.659060 Density= 3.418961 ETOT(band)= -1.563764 trlgG= -2.229584 logG= -0.659060 TDE= -4.397463 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038589 tlogG= -0.624800 logG= -0.663389 Density= 3.417368 ETOT(band)= -1.568271 trlgG= -2.240943 logG= -0.663389 TDE= -4.403175 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038999 tlogG= -0.612919 logG= -0.651918 Density= 3.420233 ETOT(band)= -1.556720 trlgG= -2.220061 logG= -0.651918 TDE= -4.396134 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038914 tlogG= -0.611276 logG= -0.650190 Density= 3.420101 ETOT(band)= -1.555681 trlgG= -2.216070 logG= -0.650190 TDE= -4.393761 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038403 tlogG= -0.625864 logG= -0.664267 Density= 3.416730 ETOT(band)= -1.569825 trlgG= -2.241131 logG= -0.664267 TDE= -4.401958 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038479 tlogG= -0.625403 logG= -0.663882 Density= 3.416887 ETOT(band)= -1.569279 trlgG= -2.241550 logG= -0.663882 TDE= -4.402892 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038656 tlogG= -0.620145 logG= -0.658801 Density= 3.418412 ETOT(band)= -1.563926 trlgG= -2.229896 logG= -0.658801 TDE= -4.397580 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038484 tlogG= -0.622767 logG= -0.661251 Density= 3.417139 ETOT(band)= -1.567210 trlgG= -2.235958 logG= -0.661251 TDE= -4.400139 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038598 tlogG= -0.620145 logG= -0.658743 Density= 3.417832 ETOT(band)= -1.564563 trlgG= -2.231040 logG= -0.658743 TDE= -4.398302 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038435 tlogG= -0.623089 logG= -0.661524 Density= 3.417152 ETOT(band)= -1.567494 trlgG= -2.235867 logG= -0.661524 TDE= -4.399786 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038770 tlogG= -0.620547 logG= -0.659318 Density= 3.419563 ETOT(band)= -1.563562 trlgG= -2.229271 logG= -0.659318 TDE= -4.397390 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038927 tlogG= -0.613520 logG= -0.652447 Density= 3.420012 ETOT(band)= -1.557481 trlgG= -2.220490 logG= -0.652447 TDE= -4.395851 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038488 tlogG= -0.627158 logG= -0.665646 Density= 3.416814 ETOT(band)= -1.570536 trlgG= -2.245053 logG= -0.665646 TDE= -4.404570 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038690 tlogG= -0.617495 logG= -0.656185 Density= 3.418185 ETOT(band)= -1.562190 trlgG= -2.227042 logG= -0.656185 TDE= -4.397154 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038796 tlogG= -0.617934 logG= -0.656731 Density= 3.419586 ETOT(band)= -1.561463 trlgG= -2.225537 logG= -0.656731 TDE= -4.396262 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 Sum of eigenvalues= -1021.27810436033 eV TrLogG= -1457.69856768837 eV Ratio to renormalize= 0.999513717906 rho-rho_expected= 0.079789063433 nargs= 1 argi=dmft2.def 5) Finished k-point number 6 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 27) Finished k-point number 28 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 31) Finished k-point number 32 1 with #bands= 105 25) Finished k-point number 26 1 with #bands= 105 24) Finished k-point number 25 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 16) Finished k-point number 17 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 7) Finished k-point number 8 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 36) Finished k-point number 37 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 17) Finished k-point number 18 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 32) Finished k-point number 33 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 37) Finished k-point number 38 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 23) Finished k-point number 24 1 with #bands= 107 20) Finished k-point number 21 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 33) Finished k-point number 34 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 1) Finished k-point number 2 1 with #bands= 106 12) Finished k-point number 13 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800535500067218 0.802651937093023 0.802456540331584 0.800103859046376 0.803185932278699 0.802418120659769 0.800829897780867 0.802516543625574 0.802559796456410 0.800740223451914 0.802717570368576 0.802462851884979 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038400 tlogG= -0.625872 logG= -0.664273 Density= 3.416722 ETOT(band)= -1.569819 trlgG= -2.241131 logG= -0.664273 TDE= -4.401946 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038775 tlogG= -0.616314 logG= -0.655089 Density= 3.418991 ETOT(band)= -1.560528 trlgG= -2.224861 logG= -0.655089 TDE= -4.396736 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038477 tlogG= -0.621020 logG= -0.659498 Density= 3.417608 ETOT(band)= -1.565597 trlgG= -2.231871 logG= -0.659498 TDE= -4.398194 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038684 tlogG= -0.619968 logG= -0.658652 Density= 3.418473 ETOT(band)= -1.563810 trlgG= -2.230189 logG= -0.658652 TDE= -4.398072 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038393 tlogG= -0.627722 logG= -0.666116 Density= 3.416553 ETOT(band)= -1.571247 trlgG= -2.244619 logG= -0.666116 TDE= -4.403451 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038552 tlogG= -0.623185 logG= -0.661738 Density= 3.417462 ETOT(band)= -1.567096 trlgG= -2.236794 logG= -0.661738 TDE= -4.400756 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038502 tlogG= -0.623625 logG= -0.662127 Density= 3.417439 ETOT(band)= -1.567539 trlgG= -2.236748 logG= -0.662127 TDE= -4.400301 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038764 tlogG= -0.614273 logG= -0.653038 Density= 3.419171 ETOT(band)= -1.558869 trlgG= -2.220867 logG= -0.653038 TDE= -4.394941 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038487 tlogG= -0.625726 logG= -0.664214 Density= 3.417272 ETOT(band)= -1.569221 trlgG= -2.240434 logG= -0.664214 TDE= -4.401763 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038582 tlogG= -0.626573 logG= -0.665154 Density= 3.417093 ETOT(band)= -1.569747 trlgG= -2.244700 logG= -0.665154 TDE= -4.404940 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038665 tlogG= -0.620344 logG= -0.659010 Density= 3.418616 ETOT(band)= -1.564084 trlgG= -2.230065 logG= -0.659010 TDE= -4.397709 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038626 tlogG= -0.622475 logG= -0.661101 Density= 3.418184 ETOT(band)= -1.565981 trlgG= -2.234574 logG= -0.661101 TDE= -4.399769 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038543 tlogG= -0.620552 logG= -0.659095 Density= 3.417804 ETOT(band)= -1.564949 trlgG= -2.231049 logG= -0.659095 TDE= -4.397937 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038912 tlogG= -0.611284 logG= -0.650196 Density= 3.420092 ETOT(band)= -1.555675 trlgG= -2.216067 logG= -0.650196 TDE= -4.393746 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038851 tlogG= -0.613686 logG= -0.652538 Density= 3.419451 ETOT(band)= -1.558094 trlgG= -2.221057 logG= -0.652538 TDE= -4.395864 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038647 tlogG= -0.619713 logG= -0.658361 Density= 3.417857 ETOT(band)= -1.564107 trlgG= -2.230647 logG= -0.658361 TDE= -4.398313 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038642 tlogG= -0.622756 logG= -0.661398 Density= 3.418513 ETOT(band)= -1.566034 trlgG= -2.234082 logG= -0.661398 TDE= -4.399252 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038707 tlogG= -0.620359 logG= -0.659065 Density= 3.418953 ETOT(band)= -1.563758 trlgG= -2.229583 logG= -0.659065 TDE= -4.397450 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038555 tlogG= -0.624911 logG= -0.663466 Density= 3.417052 ETOT(band)= -1.568669 trlgG= -2.241401 logG= -0.663466 TDE= -4.403295 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038536 tlogG= -0.622407 logG= -0.660942 Density= 3.417130 ETOT(band)= -1.566860 trlgG= -2.236055 logG= -0.660942 TDE= -4.400538 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038996 tlogG= -0.612927 logG= -0.651923 Density= 3.420224 ETOT(band)= -1.556714 trlgG= -2.220059 logG= -0.651923 TDE= -4.396119 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=119 logGD-logG0= -0.038595 tlogG= -0.620153 logG= -0.658749 Density= 3.417823 ETOT(band)= -1.564557 trlgG= -2.231040 logG= -0.658749 TDE= -4.398290 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038615 tlogG= -0.622150 logG= -0.660765 Density= 3.417894 ETOT(band)= -1.565856 trlgG= -2.234894 logG= -0.660765 TDE= -4.400185 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038534 tlogG= -0.620522 logG= -0.659057 Density= 3.417295 ETOT(band)= -1.565370 trlgG= -2.231660 logG= -0.659057 TDE= -4.398165 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038700 tlogG= -0.619553 logG= -0.658253 Density= 3.418361 ETOT(band)= -1.563472 trlgG= -2.229984 logG= -0.658253 TDE= -4.398174 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.039033 tlogG= -0.610566 logG= -0.649600 Density= 3.420604 ETOT(band)= -1.554607 trlgG= -2.216074 logG= -0.649600 TDE= -4.394772 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038477 tlogG= -0.625411 logG= -0.663888 Density= 3.416879 ETOT(band)= -1.569273 trlgG= -2.241549 logG= -0.663888 TDE= -4.402878 logGD-logG0= -0.038925 tlogG= -0.613528 logG= -0.652453 Density= 3.420004 ETOT(band)= -1.557476 trlgG= -2.220487 logG= -0.652453 TDE= -4.395836 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 logGD-logG0= -0.038587 tlogG= -0.624808 logG= -0.663395 Density= 3.417359 ETOT(band)= -1.568265 trlgG= -2.240942 logG= -0.663395 TDE= -4.403161 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038433 tlogG= -0.623097 logG= -0.661530 Density= 3.417144 ETOT(band)= -1.567487 trlgG= -2.235868 logG= -0.661530 TDE= -4.399774 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038585 tlogG= -0.618287 logG= -0.656872 Density= 3.418169 ETOT(band)= -1.562938 trlgG= -2.226952 logG= -0.656872 TDE= -4.396364 logGD-logG0= -0.038791 tlogG= -0.617216 logG= -0.656007 Density= 3.419094 ETOT(band)= -1.561043 trlgG= -2.226064 logG= -0.656007 TDE= -4.397106 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038653 tlogG= -0.620153 logG= -0.658807 Density= 3.418404 ETOT(band)= -1.563920 trlgG= -2.229895 logG= -0.658807 TDE= -4.397567 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038688 tlogG= -0.617503 logG= -0.656191 Density= 3.418177 ETOT(band)= -1.562184 trlgG= -2.227039 logG= -0.656191 TDE= -4.397139 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038534 tlogG= -0.625281 logG= -0.663815 Density= 3.417302 ETOT(band)= -1.568769 trlgG= -2.240979 logG= -0.663815 TDE= -4.402731 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038638 tlogG= -0.617909 logG= -0.656547 Density= 3.418171 ETOT(band)= -1.562577 trlgG= -2.227145 logG= -0.656547 TDE= -4.396884 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038718 tlogG= -0.616825 logG= -0.655544 Density= 3.418890 ETOT(band)= -1.561107 trlgG= -2.224741 logG= -0.655544 TDE= -4.396078 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038485 tlogG= -0.627166 logG= -0.665652 Density= 3.416805 ETOT(band)= -1.570530 trlgG= -2.245052 logG= -0.665652 TDE= -4.404557 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 logGD-logG0= -0.038837 tlogG= -0.615798 logG= -0.654634 Density= 3.419123 ETOT(band)= -1.559927 trlgG= -2.224561 logG= -0.654634 TDE= -4.397000 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=118 logGD-logG0= -0.038502 tlogG= -0.620777 logG= -0.659279 Density= 3.417447 ETOT(band)= -1.565492 trlgG= -2.231689 logG= -0.659279 TDE= -4.398097 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039154 tlogG= -0.609774 logG= -0.648929 Density= 3.421140 ETOT(band)= -1.553438 trlgG= -2.215162 logG= -0.648929 TDE= -4.394974 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038790 tlogG= -0.617588 logG= -0.656378 Density= 3.419324 ETOT(band)= -1.561269 trlgG= -2.225959 logG= -0.656378 TDE= -4.396821 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038939 tlogG= -0.613071 logG= -0.652010 Density= 3.419730 ETOT(band)= -1.557288 trlgG= -2.220549 logG= -0.652010 TDE= -4.396114 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038768 tlogG= -0.620555 logG= -0.659323 Density= 3.419555 ETOT(band)= -1.563555 trlgG= -2.229271 logG= -0.659323 TDE= -4.397378 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038855 tlogG= -0.614113 logG= -0.652969 Density= 3.419805 ETOT(band)= -1.558204 trlgG= -2.220231 logG= -0.652969 TDE= -4.394899 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038481 tlogG= -0.622775 logG= -0.661256 Density= 3.417131 ETOT(band)= -1.567204 trlgG= -2.235957 logG= -0.661256 TDE= -4.400126 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038794 tlogG= -0.617942 logG= -0.656736 Density= 3.419578 ETOT(band)= -1.561457 trlgG= -2.225535 logG= -0.656736 TDE= -4.396249 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038605 tlogG= -0.622729 logG= -0.661334 Density= 3.417526 ETOT(band)= -1.566609 trlgG= -2.236711 logG= -0.661334 TDE= -4.401130 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 Sum of eigenvalues= -1021.27409922707 eV TrLogG= -1457.69327552686 eV Ratio to renormalize= 0.999516111268 rho-rho_expected= 0.079396170951 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 25) Finished k-point number 26 1 with #bands= 105 43) Finished k-point number 44 1 with #bands= 105 3) Finished k-point number 4 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 2) Finished k-point number 3 1 with #bands= 106 34) Finished k-point number 35 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 20) Finished k-point number 21 1 with #bands= 106 11) Finished k-point number 12 1 with #bands= 107 41) Finished k-point number 42 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 6) Finished k-point number 7 1 with #bands= 106 23) Finished k-point number 24 1 with #bands= 107 36) Finished k-point number 37 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 24) Finished k-point number 25 1 with #bands= 106 14) Finished k-point number 15 1 with #bands= 105 19) Finished k-point number 20 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 18) Finished k-point number 19 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 26) Finished k-point number 27 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 22) Finished k-point number 23 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 5) Finished k-point number 6 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 21) Finished k-point number 22 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800526761943642 0.802643367004990 0.802446911851784 0.800095085086940 0.803178174430463 0.802407768033480 0.800821176082218 0.802507959181431 0.802550197802002 0.800731549471387 0.802708982159037 0.802453246785785 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038716 tlogG= -0.616834 logG= -0.655550 Density= 3.418885 ETOT(band)= -1.561110 trlgG= -2.224749 logG= -0.655550 TDE= -4.396075 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038640 tlogG= -0.622764 logG= -0.661405 Density= 3.418508 ETOT(band)= -1.566037 trlgG= -2.234092 logG= -0.661405 TDE= -4.399251 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=123 logGD-logG0= -0.038663 tlogG= -0.620353 logG= -0.659016 Density= 3.418610 ETOT(band)= -1.564086 trlgG= -2.230074 logG= -0.659016 TDE= -4.397707 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038476 tlogG= -0.621028 logG= -0.659504 Density= 3.417603 ETOT(band)= -1.565600 trlgG= -2.231881 logG= -0.659504 TDE= -4.398193 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038850 tlogG= -0.613695 logG= -0.652544 Density= 3.419446 ETOT(band)= -1.558098 trlgG= -2.221065 logG= -0.652544 TDE= -4.395861 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038541 tlogG= -0.620560 logG= -0.659101 Density= 3.417799 ETOT(band)= -1.564952 trlgG= -2.231059 logG= -0.659101 TDE= -4.397936 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=132 logGD-logG0= -0.038583 tlogG= -0.618296 logG= -0.656879 Density= 3.418164 ETOT(band)= -1.562941 trlgG= -2.226961 logG= -0.656879 TDE= -4.396362 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038580 tlogG= -0.626581 logG= -0.665161 Density= 3.417088 ETOT(band)= -1.569751 trlgG= -2.244710 logG= -0.665161 TDE= -4.404939 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038486 tlogG= -0.625734 logG= -0.664220 Density= 3.417267 ETOT(band)= -1.569224 trlgG= -2.240444 logG= -0.664220 TDE= -4.401762 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038392 tlogG= -0.627730 logG= -0.666122 Density= 3.416548 ETOT(band)= -1.571250 trlgG= -2.244628 logG= -0.666122 TDE= -4.403450 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=125 logGD-logG0= -0.038625 tlogG= -0.622483 logG= -0.661108 Density= 3.418179 ETOT(band)= -1.565983 trlgG= -2.234583 logG= -0.661108 TDE= -4.399768 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038534 tlogG= -0.622415 logG= -0.660949 Density= 3.417125 ETOT(band)= -1.566864 trlgG= -2.236064 logG= -0.660949 TDE= -4.400536 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038585 tlogG= -0.624817 logG= -0.663402 Density= 3.417354 ETOT(band)= -1.568268 trlgG= -2.240951 logG= -0.663402 TDE= -4.403160 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.039152 tlogG= -0.609783 logG= -0.648935 Density= 3.421134 ETOT(band)= -1.553441 trlgG= -2.215171 logG= -0.648935 TDE= -4.394971 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038501 tlogG= -0.623633 logG= -0.662134 Density= 3.417433 ETOT(band)= -1.567542 trlgG= -2.236758 logG= -0.662134 TDE= -4.400300 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038532 tlogG= -0.625289 logG= -0.663821 Density= 3.417296 ETOT(band)= -1.568772 trlgG= -2.240989 logG= -0.663821 TDE= -4.402730 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038554 tlogG= -0.624919 logG= -0.663473 Density= 3.417047 ETOT(band)= -1.568673 trlgG= -2.241410 logG= -0.663473 TDE= -4.403294 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038763 tlogG= -0.614282 logG= -0.653044 Density= 3.419165 ETOT(band)= -1.558872 trlgG= -2.220875 logG= -0.653044 TDE= -4.394939 logGD-logG0= -0.038484 tlogG= -0.627175 logG= -0.665658 Density= 3.416800 ETOT(band)= -1.570533 trlgG= -2.245061 logG= -0.665658 TDE= -4.404555 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=123 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038646 tlogG= -0.619722 logG= -0.658367 Density= 3.417852 ETOT(band)= -1.564110 trlgG= -2.230657 logG= -0.658367 TDE= -4.398312 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=129 logGD-logG0= -0.038533 tlogG= -0.620530 logG= -0.659063 Density= 3.417290 ETOT(band)= -1.565373 trlgG= -2.231669 logG= -0.659063 TDE= -4.398164 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038682 tlogG= -0.619977 logG= -0.658658 Density= 3.418467 ETOT(band)= -1.563813 trlgG= -2.230198 logG= -0.658658 TDE= -4.398070 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038705 tlogG= -0.620367 logG= -0.659072 Density= 3.418948 ETOT(band)= -1.563761 trlgG= -2.229593 logG= -0.659072 TDE= -4.397449 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038603 tlogG= -0.622737 logG= -0.661341 Density= 3.417521 ETOT(band)= -1.566612 trlgG= -2.236721 logG= -0.661341 TDE= -4.401128 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038788 tlogG= -0.617596 logG= -0.656384 Density= 3.419319 ETOT(band)= -1.561272 trlgG= -2.225968 logG= -0.656384 TDE= -4.396819 logGD-logG0= -0.038480 tlogG= -0.622783 logG= -0.661263 Density= 3.417125 ETOT(band)= -1.567207 trlgG= -2.235966 logG= -0.661263 TDE= -4.400125 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038593 tlogG= -0.620162 logG= -0.658755 Density= 3.417818 ETOT(band)= -1.564560 trlgG= -2.231050 logG= -0.658755 TDE= -4.398289 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038652 tlogG= -0.620161 logG= -0.658813 Density= 3.418399 ETOT(band)= -1.563923 trlgG= -2.229905 logG= -0.658813 TDE= -4.397566 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038766 tlogG= -0.620563 logG= -0.659329 Density= 3.419550 ETOT(band)= -1.563557 trlgG= -2.229281 logG= -0.659329 TDE= -4.397378 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038995 tlogG= -0.612935 logG= -0.651930 Density= 3.420219 ETOT(band)= -1.556718 trlgG= -2.220067 logG= -0.651930 TDE= -4.396116 logGD-logG0= -0.038910 tlogG= -0.611292 logG= -0.650202 Density= 3.420087 ETOT(band)= -1.555678 trlgG= -2.216075 logG= -0.650202 TDE= -4.393743 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=121 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038500 tlogG= -0.620785 logG= -0.659285 Density= 3.417442 ETOT(band)= -1.565495 trlgG= -2.231698 logG= -0.659285 TDE= -4.398096 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038773 tlogG= -0.616322 logG= -0.655095 Density= 3.418986 ETOT(band)= -1.560532 trlgG= -2.224869 logG= -0.655095 TDE= -4.396733 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038698 tlogG= -0.619561 logG= -0.658259 Density= 3.418356 ETOT(band)= -1.563476 trlgG= -2.229993 logG= -0.658259 TDE= -4.398172 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=127 logGD-logG0= -0.038835 tlogG= -0.615806 logG= -0.654641 Density= 3.419118 ETOT(band)= -1.559930 trlgG= -2.224569 logG= -0.654641 TDE= -4.396997 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=118 logGD-logG0= -0.039032 tlogG= -0.610575 logG= -0.649606 Density= 3.420599 ETOT(band)= -1.554610 trlgG= -2.216082 logG= -0.649606 TDE= -4.394769 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038475 tlogG= -0.625419 logG= -0.663894 Density= 3.416873 ETOT(band)= -1.569276 trlgG= -2.241558 logG= -0.663894 TDE= -4.402877 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038938 tlogG= -0.613079 logG= -0.652017 Density= 3.419724 ETOT(band)= -1.557291 trlgG= -2.220557 logG= -0.652017 TDE= -4.396111 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038853 tlogG= -0.614122 logG= -0.652975 Density= 3.419799 ETOT(band)= -1.558208 trlgG= -2.220239 logG= -0.652975 TDE= -4.394896 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038636 tlogG= -0.617918 logG= -0.656554 Density= 3.418165 ETOT(band)= -1.562580 trlgG= -2.227154 logG= -0.656554 TDE= -4.396881 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=128 logGD-logG0= -0.038613 tlogG= -0.622158 logG= -0.660772 Density= 3.417889 ETOT(band)= -1.565859 trlgG= -2.234903 logG= -0.660772 TDE= -4.400184 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038686 tlogG= -0.617511 logG= -0.656197 Density= 3.418171 ETOT(band)= -1.562187 trlgG= -2.227048 logG= -0.656197 TDE= -4.397136 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038398 tlogG= -0.625881 logG= -0.664279 Density= 3.416717 ETOT(band)= -1.569822 trlgG= -2.241141 logG= -0.664279 TDE= -4.401945 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038923 tlogG= -0.613537 logG= -0.652459 Density= 3.419998 ETOT(band)= -1.557479 trlgG= -2.220495 logG= -0.652459 TDE= -4.395833 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038792 tlogG= -0.617950 logG= -0.656742 Density= 3.419573 ETOT(band)= -1.561459 trlgG= -2.225544 logG= -0.656742 TDE= -4.396247 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 logGD-logG0= -0.038789 tlogG= -0.617224 logG= -0.656013 Density= 3.419088 ETOT(band)= -1.561046 trlgG= -2.226073 logG= -0.656013 TDE= -4.397103 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038431 tlogG= -0.623105 logG= -0.661536 Density= 3.417138 ETOT(band)= -1.567490 trlgG= -2.235878 logG= -0.661536 TDE= -4.399774 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038551 tlogG= -0.623194 logG= -0.661744 Density= 3.417457 ETOT(band)= -1.567099 trlgG= -2.236804 logG= -0.661744 TDE= -4.400754 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 Sum of eigenvalues= -1021.27614225085 eV TrLogG= -1457.69631306283 eV Ratio to renormalize= 0.999517679672 rho-rho_expected= 0.079138704023 nargs= 1 argi=dmft2.def 7) Finished k-point number 8 1 with #bands= 106 3) Finished k-point number 4 1 with #bands= 106 2) Finished k-point number 3 1 with #bands= 106 17) Finished k-point number 18 1 with #bands= 106 39) Finished k-point number 40 1 with #bands= 105 5) Finished k-point number 6 1 with #bands= 106 10) Finished k-point number 11 1 with #bands= 106 47) Finished k-point number 48 1 with #bands= 104 21) Finished k-point number 22 1 with #bands= 106 40) Finished k-point number 41 1 with #bands= 106 19) Finished k-point number 20 1 with #bands= 106 38) Finished k-point number 39 1 with #bands= 106 41) Finished k-point number 42 1 with #bands= 106 13) Finished k-point number 14 1 with #bands= 105 27) Finished k-point number 28 1 with #bands= 106 31) Finished k-point number 32 1 with #bands= 105 34) Finished k-point number 35 1 with #bands= 106 18) Finished k-point number 19 1 with #bands= 106 33) Finished k-point number 34 1 with #bands= 106 45) Finished k-point number 46 1 with #bands= 107 23) Finished k-point number 24 1 with #bands= 107 20) Finished k-point number 21 1 with #bands= 106 46) Finished k-point number 47 1 with #bands= 106 36) Finished k-point number 37 1 with #bands= 106 43) Finished k-point number 44 1 with #bands= 105 14) Finished k-point number 15 1 with #bands= 105 12) Finished k-point number 13 1 with #bands= 106 35) Finished k-point number 36 1 with #bands= 106 28) Finished k-point number 29 1 with #bands= 107 25) Finished k-point number 26 1 with #bands= 105 16) Finished k-point number 17 1 with #bands= 106 15) Finished k-point number 16 1 with #bands= 106 0) Finished k-point number 1 1 with #bands= 106 9) Finished k-point number 10 1 with #bands= 106 8) Finished k-point number 9 1 with #bands= 106 30) Finished k-point number 31 1 with #bands= 106 37) Finished k-point number 38 1 with #bands= 106 22) Finished k-point number 23 1 with #bands= 106 42) Finished k-point number 43 1 with #bands= 106 29) Finished k-point number 30 1 with #bands= 106 4) Finished k-point number 5 1 with #bands= 106 32) Finished k-point number 33 1 with #bands= 106 26) Finished k-point number 27 1 with #bands= 105 11) Finished k-point number 12 1 with #bands= 107 24) Finished k-point number 25 1 with #bands= 106 6) Finished k-point number 7 1 with #bands= 106 1) Finished k-point number 2 1 with #bands= 106 44) Finished k-point number 45 1 with #bands= 107 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.800455642441217 0.802575294994300 0.802372423830156 0.800024287039318 0.803110880525633 0.802332702011601 0.800750271005249 0.802439791002842 0.802475820750641 0.800661216712344 0.802640546886090 0.802378903557140 mpr_proc= 1 myrank= 0 nprocs= 48 nkpt= 1 logGD-logG0= -0.038518 tlogG= -0.622456 logG= -0.660974 Density= 3.417075 ETOT(band)= -1.566822 trlgG= -2.236045 logG= -0.660974 TDE= -4.400451 37) Finished k-point 38 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038538 tlogG= -0.624961 logG= -0.663499 Density= 3.416997 ETOT(band)= -1.568632 trlgG= -2.241393 logG= -0.663499 TDE= -4.403209 38) Finished k-point 39 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038460 tlogG= -0.621068 logG= -0.659528 Density= 3.417555 ETOT(band)= -1.565556 trlgG= -2.231870 logG= -0.659528 TDE= -4.398119 44) Finished k-point 45 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=124 logGD-logG0= -0.038564 tlogG= -0.626623 logG= -0.665187 Density= 3.417037 ETOT(band)= -1.569710 trlgG= -2.244693 logG= -0.665187 TDE= -4.404854 39) Finished k-point 40 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=121 logGD-logG0= -0.038625 tlogG= -0.622804 logG= -0.661429 Density= 3.418461 ETOT(band)= -1.565992 trlgG= -2.234077 logG= -0.661429 TDE= -4.399173 23) Finished k-point 24 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038470 tlogG= -0.625775 logG= -0.664245 Density= 3.417219 ETOT(band)= -1.569182 trlgG= -2.240429 logG= -0.664245 TDE= -4.401682 35) Finished k-point 36 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038376 tlogG= -0.627771 logG= -0.666148 Density= 3.416498 ETOT(band)= -1.571208 trlgG= -2.244611 logG= -0.666148 TDE= -4.403366 47) Finished k-point 48 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=148 DM_nemaxx=124 logGD-logG0= -0.038666 tlogG= -0.620017 logG= -0.658683 Density= 3.418418 ETOT(band)= -1.563771 trlgG= -2.230179 logG= -0.658683 TDE= -4.397986 18) Finished k-point 19 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038609 tlogG= -0.622523 logG= -0.661132 Density= 3.418131 ETOT(band)= -1.565940 trlgG= -2.234563 logG= -0.661132 TDE= -4.399683 logGD-logG0= -0.038517 tlogG= -0.620571 logG= -0.659088 Density= 3.417241 ETOT(band)= -1.565330 trlgG= -2.231655 logG= -0.659088 TDE= -4.398084 19) Finished k-point 20 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038758 tlogG= -0.616363 logG= -0.655121 Density= 3.418936 ETOT(band)= -1.560490 trlgG= -2.224838 logG= -0.655121 TDE= -4.396636 17) Finished k-point 18 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 36) Finished k-point 37 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038648 tlogG= -0.620393 logG= -0.659041 Density= 3.418562 ETOT(band)= -1.564043 trlgG= -2.230056 logG= -0.659041 TDE= -4.397625 22) Finished k-point 23 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038485 tlogG= -0.623673 logG= -0.662159 Density= 3.417385 ETOT(band)= -1.567499 trlgG= -2.236744 logG= -0.662159 TDE= -4.400221 34) Finished k-point 35 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038525 tlogG= -0.620601 logG= -0.659126 Density= 3.417750 ETOT(band)= -1.564909 trlgG= -2.231043 logG= -0.659126 TDE= -4.397855 logGD-logG0= -0.038416 tlogG= -0.623145 logG= -0.661561 Density= 3.417090 ETOT(band)= -1.567447 trlgG= -2.235867 logG= -0.661561 TDE= -4.399698 33) Finished k-point 34 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=131 45) Finished k-point 46 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=151 DM_nemaxx=125 logGD-logG0= -0.038689 tlogG= -0.620407 logG= -0.659096 Density= 3.418901 ETOT(band)= -1.563716 trlgG= -2.229577 logG= -0.659096 TDE= -4.397370 7) Finished k-point 8 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038774 tlogG= -0.617265 logG= -0.656038 Density= 3.419039 ETOT(band)= -1.561005 trlgG= -2.226047 logG= -0.656038 TDE= -4.397011 logGD-logG0= -0.038485 tlogG= -0.620825 logG= -0.659310 Density= 3.417393 ETOT(band)= -1.565452 trlgG= -2.231684 logG= -0.659310 TDE= -4.398016 40) Finished k-point 41 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 2) Finished k-point 3 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038598 tlogG= -0.622199 logG= -0.660797 Density= 3.417839 ETOT(band)= -1.565817 trlgG= -2.234884 logG= -0.660797 TDE= -4.400099 15) Finished k-point 16 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038459 tlogG= -0.625460 logG= -0.663920 Density= 3.416824 ETOT(band)= -1.569234 trlgG= -2.241539 logG= -0.663920 TDE= -4.402792 logGD-logG0= -0.038468 tlogG= -0.627216 logG= -0.665684 Density= 3.416750 ETOT(band)= -1.570492 trlgG= -2.245044 logG= -0.665684 TDE= -4.404471 43) Finished k-point 44 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 42) Finished k-point 43 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038464 tlogG= -0.622824 logG= -0.661288 Density= 3.417077 ETOT(band)= -1.567164 trlgG= -2.235948 logG= -0.661288 TDE= -4.400041 41) Finished k-point 42 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038747 tlogG= -0.614322 logG= -0.653069 Density= 3.419115 ETOT(band)= -1.558830 trlgG= -2.220848 logG= -0.653069 TDE= -4.394845 20) Finished k-point 21 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038834 tlogG= -0.613736 logG= -0.652570 Density= 3.419395 ETOT(band)= -1.558057 trlgG= -2.221035 logG= -0.652570 TDE= -4.395763 logGD-logG0= -0.038701 tlogG= -0.616874 logG= -0.655575 Density= 3.418836 ETOT(band)= -1.561068 trlgG= -2.224724 logG= -0.655575 TDE= -4.395984 16) Finished k-point 17 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 21) Finished k-point 22 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038568 tlogG= -0.618336 logG= -0.656903 Density= 3.418115 ETOT(band)= -1.562898 trlgG= -2.226939 logG= -0.656903 TDE= -4.396275 32) Finished k-point 33 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038819 tlogG= -0.615847 logG= -0.654666 Density= 3.419067 ETOT(band)= -1.559890 trlgG= -2.224539 logG= -0.654666 TDE= -4.396899 13) Finished k-point 14 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=122 logGD-logG0= -0.039016 tlogG= -0.610616 logG= -0.649632 Density= 3.420547 ETOT(band)= -1.554570 trlgG= -2.216053 logG= -0.649632 TDE= -4.394671 4) Finished k-point 5 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=129 logGD-logG0= -0.038517 tlogG= -0.625330 logG= -0.663847 Density= 3.417247 ETOT(band)= -1.568730 trlgG= -2.240970 logG= -0.663847 TDE= -4.402645 31) Finished k-point 32 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038535 tlogG= -0.623234 logG= -0.661770 Density= 3.417407 ETOT(band)= -1.567057 trlgG= -2.236786 logG= -0.661770 TDE= -4.400671 30) Finished k-point 31 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=124 logGD-logG0= -0.038587 tlogG= -0.622779 logG= -0.661366 Density= 3.417471 ETOT(band)= -1.566571 trlgG= -2.236703 logG= -0.661366 TDE= -4.401044 26) Finished k-point 27 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038620 tlogG= -0.617958 logG= -0.656579 Density= 3.418116 ETOT(band)= -1.562538 trlgG= -2.227127 logG= -0.656579 TDE= -4.396789 28) Finished k-point 29 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=151 DM_nemaxx=126 logGD-logG0= -0.038383 tlogG= -0.625921 logG= -0.664304 Density= 3.416668 ETOT(band)= -1.569779 trlgG= -2.241127 logG= -0.664304 TDE= -4.401866 46) Finished k-point 47 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038777 tlogG= -0.617990 logG= -0.656767 Density= 3.419526 ETOT(band)= -1.561416 trlgG= -2.225521 logG= -0.656767 TDE= -4.396161 10) Finished k-point 11 1 with nemin= 1 nemax=183 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 logGD-logG0= -0.038838 tlogG= -0.614162 logG= -0.653000 Density= 3.419750 ETOT(band)= -1.558166 trlgG= -2.220211 logG= -0.653000 TDE= -4.394802 9) Finished k-point 10 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038683 tlogG= -0.619602 logG= -0.658285 Density= 3.418306 ETOT(band)= -1.563434 trlgG= -2.229972 logG= -0.658285 TDE= -4.398085 14) Finished k-point 15 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=149 DM_nemaxx=125 logGD-logG0= -0.038578 tlogG= -0.620202 logG= -0.658780 Density= 3.417769 ETOT(band)= -1.564518 trlgG= -2.231034 logG= -0.658780 TDE= -4.398207 29) Finished k-point 30 1 with nemin= 1 nemax=181 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 logGD-logG0= -0.038569 tlogG= -0.624858 logG= -0.663427 Density= 3.417304 ETOT(band)= -1.568227 trlgG= -2.240933 logG= -0.663427 TDE= -4.403075 logGD-logG0= -0.038751 tlogG= -0.620603 logG= -0.659353 Density= 3.419504 ETOT(band)= -1.563512 trlgG= -2.229268 logG= -0.659353 TDE= -4.397302 27) Finished k-point 28 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=125 11) Finished k-point 12 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=151 DM_nemaxx=127 logGD-logG0= -0.038630 tlogG= -0.619763 logG= -0.658393 Density= 3.417802 ETOT(band)= -1.564069 trlgG= -2.230641 logG= -0.658393 TDE= -4.398229 25) Finished k-point 26 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=149 DM_nemaxx=126 logGD-logG0= -0.038979 tlogG= -0.612977 logG= -0.651956 Density= 3.420167 ETOT(band)= -1.556678 trlgG= -2.220038 logG= -0.651956 TDE= -4.396018 1) Finished k-point 2 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.039136 tlogG= -0.609825 logG= -0.648961 Density= 3.421081 ETOT(band)= -1.553403 trlgG= -2.215143 logG= -0.648961 TDE= -4.394874 logGD-logG0= -0.038773 tlogG= -0.617636 logG= -0.656409 Density= 3.419270 ETOT(band)= -1.561229 trlgG= -2.225941 logG= -0.656409 TDE= -4.396727 0) Finished k-point 1 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 6) Finished k-point 7 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=120 logGD-logG0= -0.038907 tlogG= -0.613578 logG= -0.652485 Density= 3.419948 ETOT(band)= -1.557438 trlgG= -2.220465 logG= -0.652485 TDE= -4.395735 5) Finished k-point 6 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=122 logGD-logG0= -0.038670 tlogG= -0.617552 logG= -0.656223 Density= 3.418121 ETOT(band)= -1.562146 trlgG= -2.227021 logG= -0.656223 TDE= -4.397042 24) Finished k-point 25 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=126 logGD-logG0= -0.038922 tlogG= -0.613120 logG= -0.652042 Density= 3.419672 ETOT(band)= -1.557251 trlgG= -2.220528 logG= -0.652042 TDE= -4.396013 12) Finished k-point 13 1 with nemin= 1 nemax=179 DM_nemin= 45 DM_nemax=150 DM_nemaxx=123 logGD-logG0= -0.038894 tlogG= -0.611333 logG= -0.650228 Density= 3.420035 ETOT(band)= -1.555638 trlgG= -2.216047 logG= -0.650228 TDE= -4.393646 8) Finished k-point 9 1 with nemin= 1 nemax=180 DM_nemin= 45 DM_nemax=150 DM_nemaxx=127 logGD-logG0= -0.038636 tlogG= -0.620202 logG= -0.658838 Density= 3.418350 ETOT(band)= -1.563880 trlgG= -2.229888 logG= -0.658838 TDE= -4.397484 3) Finished k-point 4 1 with nemin= 1 nemax=182 DM_nemin= 45 DM_nemax=150 DM_nemaxx=128 Sum of eigenvalues= -1021.24869481017 eV TrLogG= -1457.65617091775 eV Ratio to renormalize= 0.999532131497 rho-rho_expected= 0.076766351021